Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16 Initial command: /share/apps/gaussian/g16/l1.exe "/scratch/webmo-13362/473906/Gau-12721.inp" -scrdir="/scratch/webmo-13362/473906/" Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID= 12722. Copyright (c) 1988-2019, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 16 program. It is based on the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.), the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 16, Revision C.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2019. ****************************************** Gaussian 16: ES64L-G16RevC.01 3-Jul-2019 10-Apr-2020 ****************************************** %NProcShared=12 Will use up to 12 processors via shared memory. ------------------------------------------------------------------ #N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity ------------------------------------------------------------------ 1/38=1,57=2,163=2,172=1/1; 2/12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=2,24=10,25=1,30=1,74=-5/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=3,28=1,40=2,113=1,114=1,124=2103,126=1/1,12; 99/5=1,9=1/99; ---------------------------- C19H15(+1) planar trityl D3d ---------------------------- Symbolic Z-matrix: Charge = 1 Multiplicity = 1 C C 1 B1 C 2 B2 1 A1 C 3 B3 2 A2 1 D1 0 C 4 B4 3 A3 2 D2 0 C 5 B5 4 A4 3 D3 0 C 6 B6 5 A5 4 D4 0 H 7 B7 6 A6 5 D5 0 H 6 B8 5 A7 4 D6 0 H 5 B9 4 A8 3 D7 0 H 4 B10 3 A9 2 D8 0 H 3 B11 2 A10 7 D9 0 C 1 B12 2 A11 3 D10 0 C 13 B13 1 A12 2 D11 0 C 14 B14 13 A13 1 D12 0 C 15 B15 14 A14 13 D13 0 C 16 B16 15 A15 14 D14 0 C 17 B17 16 A16 15 D15 0 H 18 B18 17 A17 16 D16 0 H 17 B19 16 A18 15 D17 0 H 16 B20 15 A19 14 D18 0 H 15 B21 14 A20 13 D19 0 H 14 B22 13 A21 18 D20 0 C 1 B23 2 A22 3 D21 0 C 24 B24 1 A23 2 D22 0 C 25 B25 24 A24 1 D23 0 C 26 B26 25 A25 24 D24 0 C 27 B27 26 A26 25 D25 0 C 28 B28 27 A27 26 D26 0 H 29 B29 28 A28 27 D27 0 H 28 B30 27 A29 26 D28 0 H 27 B31 26 A30 25 D29 0 H 26 B32 25 A31 24 D30 0 H 25 B33 24 A32 29 D31 0 Variables: B1 1.53745 B2 1.43826 B3 1.38777 B4 1.38911 B5 1.38911 B6 1.38777 B7 1.05696 B8 1.08545 B9 1.08536 B10 1.08545 B11 1.05696 B12 1.53745 B13 1.43826 B14 1.38777 B15 1.38911 B16 1.38911 B17 1.38777 B18 1.05696 B19 1.08545 B20 1.08536 B21 1.08545 B22 1.05696 B23 1.53745 B24 1.43826 B25 1.38777 B26 1.38911 B27 1.38911 B28 1.38777 B29 1.05696 B30 1.08545 B31 1.08536 B32 1.08545 B33 1.05696 A1 125.78638 A2 126.28698 A3 121.43613 A4 116.12654 A5 121.43613 A6 110.13577 A7 120.62884 A8 121.93673 A9 117.93504 A10 123.57725 A11 120. A12 125.78639 A13 126.28699 A14 121.43611 A15 116.12655 A16 121.43614 A17 110.13573 A18 120.62882 A19 121.93672 A20 117.93502 A21 123.57728 A22 120. A23 125.78635 A24 126.28694 A25 121.43614 A26 116.12655 A27 121.43611 A28 110.13573 A29 120.62887 A30 121.93673 A31 117.93504 A32 123.57733 D1 180. D2 0. D3 0. D4 0. D5 180. D6 180. D7 180. D8 180. D9 180. D10 0. D11 0. D12 180. D13 0. D14 0. D15 0. D16 180. D17 180. D18 180. D19 180. D20 180. D21 180. D22 180. D23 180. D24 0. D25 0. D26 0. D27 180. D28 180. D29 180. D30 180. D31 180. Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.000000 0.000000 0.000000 2 6 0 0.000000 0.000000 1.537450 3 6 0 1.166718 0.000000 2.378492 4 6 0 1.178843 0.000000 3.766211 5 6 0 -0.000000 0.000000 4.501025 6 6 0 -1.178843 0.000000 3.766211 7 6 0 -1.166718 0.000000 2.378492 8 1 0 -2.155855 0.000000 2.005983 9 1 0 -2.142218 0.000000 4.266312 10 1 0 -0.000000 0.000000 5.586381 11 1 0 2.142218 0.000000 4.266312 12 1 0 2.155855 0.000000 2.005983 13 6 0 1.331471 0.000000 -0.768725 14 6 0 2.643193 0.000000 -0.178839 15 6 0 3.851056 0.000000 -0.862198 16 6 0 3.898002 0.000000 -2.250512 17 6 0 2.672213 0.000000 -2.904013 18 6 0 1.476475 0.000000 -2.199653 19 1 0 0.659305 0.000000 -2.870017 20 1 0 2.623626 0.000000 -3.988371 21 1 0 4.837948 0.000000 -2.793190 22 1 0 4.765843 0.000000 -0.277941 23 1 0 2.815160 0.000000 0.864034 24 6 0 -1.331471 0.000000 -0.768725 25 6 0 -1.476475 0.000000 -2.199653 26 6 0 -2.672213 0.000000 -2.904013 27 6 0 -3.898002 0.000000 -2.250512 28 6 0 -3.851056 0.000000 -0.862198 29 6 0 -2.643193 0.000000 -0.178839 30 1 0 -2.815160 0.000000 0.864034 31 1 0 -4.765843 0.000000 -0.277941 32 1 0 -4.837948 0.000000 -2.793190 33 1 0 -2.623626 0.000000 -3.988371 34 1 0 -0.659305 0.000000 -2.870017 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.537450 0.000000 3 C 2.649237 1.438257 0.000000 4 C 3.946393 2.521318 1.387772 0.000000 5 C 4.501025 2.963575 2.422061 1.389109 0.000000 6 C 3.946393 2.521318 2.725329 2.357686 1.389109 7 C 2.649237 1.438257 2.333436 2.725329 2.422061 8 H 2.944771 2.206181 3.343390 3.770758 3.297415 9 H 4.773941 3.469263 3.809583 3.358504 2.155038 10 H 5.586381 4.048931 3.413471 2.168569 1.085356 11 H 4.773941 3.469263 2.124962 1.085446 2.155038 12 H 2.944771 2.206181 1.056956 2.013195 3.297415 13 C 1.537450 2.662942 3.151526 4.537504 5.435355 14 C 2.649236 3.151526 2.952951 4.208057 5.374718 15 C 3.946393 4.537504 4.208057 5.344426 6.602635 16 C 4.501025 5.435354 5.374718 6.602634 7.796004 17 C 3.946393 5.183369 5.492848 6.835352 7.872440 18 C 2.649236 4.018198 4.588612 5.973284 6.861419 19 H 2.944772 4.456506 5.272980 6.656534 7.400469 20 H 4.773941 6.117035 6.531426 7.888025 8.885565 21 H 5.586381 6.493087 6.342257 7.510978 8.752789 22 H 4.773941 5.099893 4.473292 5.405713 6.749206 23 H 2.944772 2.894584 2.238514 3.331691 4.599221 24 C 1.537450 2.662942 4.018199 5.183370 5.435355 25 C 2.649236 4.018198 5.286386 6.530103 6.861419 26 C 3.946393 5.183369 6.530103 7.702111 7.872440 27 C 4.501025 5.435354 6.861419 7.872440 7.796004 28 C 3.946393 4.537504 5.973284 6.835353 6.602635 29 C 2.649236 3.151526 4.588612 5.492848 5.374718 30 H 2.944772 2.894584 4.260157 4.937073 4.599221 31 H 4.773941 5.099893 6.500147 7.189886 6.749206 32 H 5.586381 6.493087 7.924791 8.900984 8.752789 33 H 4.773941 6.117035 7.409700 8.636684 8.885565 34 H 2.944772 4.456506 5.557086 6.886095 7.400469 6 7 8 9 10 6 C 0.000000 7 C 1.387772 0.000000 8 H 2.013195 1.056956 0.000000 9 H 1.085446 2.124962 2.260370 0.000000 10 H 2.168569 3.413471 4.179349 2.516283 0.000000 11 H 3.358504 3.809583 4.856184 4.284436 2.516283 12 H 3.770758 3.343390 4.311710 4.856184 4.179349 13 C 5.183370 4.018199 4.456506 6.117035 6.493088 14 C 5.492848 4.588612 5.272979 6.531426 6.342258 15 C 6.835353 5.973284 6.656534 7.888026 7.510979 16 C 7.872440 6.861419 7.400469 8.885564 8.752789 17 C 7.702111 6.530103 6.886095 8.636684 8.900984 18 C 6.530103 5.286386 5.557085 7.409699 7.924790 19 H 6.886095 5.557086 5.630320 7.666533 8.482060 20 H 8.636684 7.409700 7.666532 9.531687 9.927703 21 H 8.900984 7.924791 8.482060 9.927703 9.675895 22 H 7.189886 6.500147 7.288773 8.268709 7.556688 23 H 4.937073 4.260157 5.100494 6.012578 5.497789 24 C 4.537504 3.151526 2.894583 5.099893 6.493088 25 C 5.973284 4.588612 4.260156 6.500147 7.924790 26 C 6.835352 5.492848 4.937073 7.189886 8.900984 27 C 6.602634 5.374718 4.599220 6.749205 8.752789 28 C 5.344426 4.208057 3.331692 5.405714 7.510979 29 C 4.208057 2.952951 2.238514 4.473292 6.342258 30 H 3.331691 2.238514 1.318609 3.468191 5.497789 31 H 5.405713 4.473292 3.468191 5.247251 7.556688 32 H 7.510978 6.342257 5.497789 7.556688 9.675895 33 H 7.888025 6.531426 6.012578 8.268709 9.927703 34 H 6.656534 5.272980 5.100494 7.288774 8.482060 11 12 13 14 15 11 H 0.000000 12 H 2.260370 0.000000 13 C 5.099893 2.894583 0.000000 14 C 4.473292 2.238514 1.438256 0.000000 15 C 5.405714 3.331692 2.521318 1.387773 0.000000 16 C 6.749205 4.599220 2.963575 2.422060 1.389108 17 C 7.189886 4.937073 2.521318 2.725329 2.357685 18 C 6.500147 4.260156 1.438256 2.333435 2.725329 19 H 7.288774 5.100494 2.206181 3.343389 3.770757 20 H 8.268709 6.012578 3.469263 3.809582 3.358503 21 H 7.556688 5.497789 4.048931 3.413470 2.168568 22 H 5.247251 3.468191 3.469262 2.124962 1.085445 23 H 3.468191 1.318609 2.206181 1.056956 2.013196 24 C 6.117035 4.456506 2.662942 4.018199 5.183370 25 C 7.409699 5.557085 3.151526 4.588611 5.492847 26 C 8.636684 6.886095 4.537504 5.973283 6.835353 27 C 8.885564 7.400469 5.435355 6.861418 7.872440 28 C 7.888026 6.656534 5.183370 6.530103 7.702112 29 C 6.531426 5.272979 4.018199 5.286386 6.530103 30 H 6.012578 5.100494 4.456507 5.557086 6.886096 31 H 8.268709 7.288773 6.117034 7.409699 8.636684 32 H 9.927703 8.482060 6.493088 7.924790 8.900984 33 H 9.531687 7.666532 5.099893 6.500147 7.189886 34 H 7.666533 5.630320 2.894584 4.260156 4.937073 16 17 18 19 20 16 C 0.000000 17 C 1.389108 0.000000 18 C 2.422061 1.387772 0.000000 19 H 3.297415 2.013195 1.056955 0.000000 20 H 2.155038 1.085446 2.124963 2.260370 0.000000 21 H 1.085356 2.168569 3.413471 4.179349 2.516283 22 H 2.155037 3.358503 3.809583 4.856183 4.284435 23 H 3.297415 3.770757 3.343390 4.311711 4.856184 24 C 5.435355 4.537504 3.151526 2.894584 5.099893 25 C 5.374718 4.208056 2.952950 2.238514 4.473292 26 C 6.602635 5.344426 4.208056 3.331691 5.405714 27 C 7.796004 6.602635 5.374718 4.599221 6.749206 28 C 7.872440 6.835353 5.492847 4.937073 7.189886 29 C 6.861418 5.973283 4.588611 4.260156 6.500147 30 H 7.400469 6.656534 5.272979 5.100494 7.288774 31 H 8.885564 7.888025 6.531425 6.012578 8.268709 32 H 8.752789 7.510979 6.342257 5.497790 7.556689 33 H 6.749206 5.405714 4.473292 3.468191 5.247252 34 H 4.599221 3.331691 2.238514 1.318610 3.468191 21 22 23 24 25 21 H 0.000000 22 H 2.516282 0.000000 23 H 4.179349 2.260370 0.000000 24 C 6.493088 6.117034 4.456507 0.000000 25 C 6.342257 6.531425 5.272979 1.438256 0.000000 26 C 7.510979 7.888025 6.656534 2.521318 1.387772 27 C 8.752789 8.885564 7.400469 2.963575 2.422061 28 C 8.900984 8.636684 6.886096 2.521318 2.725329 29 C 7.924790 7.409699 5.557086 1.438256 2.333435 30 H 8.482060 7.666532 5.630320 2.206181 3.343390 31 H 9.927703 9.531686 7.666532 3.469262 3.809583 32 H 9.675896 9.927703 8.482060 4.048931 3.413471 33 H 7.556689 8.268709 7.288774 3.469263 2.124963 34 H 5.497790 6.012578 5.100494 2.206181 1.056955 26 27 28 29 30 26 C 0.000000 27 C 1.389108 0.000000 28 C 2.357685 1.389108 0.000000 29 C 2.725329 2.422060 1.387773 0.000000 30 H 3.770757 3.297415 2.013196 1.056956 0.000000 31 H 3.358503 2.155037 1.085445 2.124962 2.260370 32 H 2.168569 1.085356 2.168568 3.413470 4.179349 33 H 1.085446 2.155038 3.358503 3.809582 4.856184 34 H 2.013195 3.297415 3.770757 3.343389 4.311711 31 32 33 34 31 H 0.000000 32 H 2.516282 0.000000 33 H 4.284435 2.516283 0.000000 34 H 4.856183 4.179349 2.260370 0.000000 Stoichiometry C19H15(1+) Framework group C3H[O(C),SGH(C18H15)] Deg. of freedom 21 Full point group C3H NOp 6 Largest Abelian subgroup CS NOp 2 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.000000 -0.000000 0.000000 2 6 0 1.537450 0.000000 0.000000 3 6 0 2.378492 1.166718 -0.000000 4 6 0 3.766211 1.178843 -0.000000 5 6 0 4.501025 0.000000 0.000000 6 6 0 3.766211 -1.178843 0.000000 7 6 0 2.378492 -1.166718 0.000000 8 1 0 2.005983 -2.155855 0.000000 9 1 0 4.266312 -2.142218 0.000000 10 1 0 5.586381 0.000000 0.000000 11 1 0 4.266312 2.142218 -0.000000 12 1 0 2.005983 2.155855 -0.000000 13 6 0 -0.768725 1.331471 -0.000000 14 6 0 -0.178839 2.643193 -0.000000 15 6 0 -0.862197 3.851056 -0.000000 16 6 0 -2.250512 3.898002 -0.000000 17 6 0 -2.904013 2.672213 -0.000000 18 6 0 -2.199653 1.476475 -0.000000 19 1 0 -2.870017 0.659305 -0.000000 20 1 0 -3.988371 2.623626 -0.000000 21 1 0 -2.793190 4.837948 -0.000000 22 1 0 -0.277941 4.765844 -0.000000 23 1 0 0.864034 2.815160 0.000000 24 6 0 -0.768725 -1.331471 0.000000 25 6 0 -2.199653 -1.476475 0.000000 26 6 0 -2.904013 -2.672213 0.000000 27 6 0 -2.250512 -3.898002 0.000000 28 6 0 -0.862197 -3.851056 0.000000 29 6 0 -0.178839 -2.643193 0.000000 30 1 0 0.864034 -2.815160 -0.000000 31 1 0 -0.277941 -4.765844 0.000000 32 1 0 -2.793190 -4.837948 0.000000 33 1 0 -3.988371 -2.623626 0.000000 34 1 0 -2.870017 -0.659305 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3708263 0.3708263 0.1854132 Standard basis: 6-31G(d) (6D, 7F) AO basis set in the form of general basis input (Overlap normalization): 1 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 2 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 3 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 4 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 5 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 6 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 7 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 8 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 9 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 10 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 11 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 12 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 13 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 14 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 15 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 16 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 17 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 18 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 19 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 20 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 21 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 22 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 23 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 24 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 25 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 26 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 27 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 28 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 29 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 30 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 31 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 32 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 33 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 34 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** There are 239 symmetry adapted cartesian basis functions of A' symmetry. There are 76 symmetry adapted cartesian basis functions of A" symmetry. There are 239 symmetry adapted basis functions of A' symmetry. There are 76 symmetry adapted basis functions of A" symmetry. 315 basis functions, 592 primitive gaussians, 315 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1231.6831942734 Hartrees. NAtoms= 34 NActive= 34 NUniq= 12 SFac= 4.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 315 RedAO= T EigKep= 3.69D-04 NBF= 239 76 NBsUse= 315 1.00D-06 EigRej= -1.00D+00 NBFU= 239 76 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Initial guess orbital symmetries: Occupied (E') (E') (A') (A') (E') (E') (E') (E') (A') (E') (E') (A') (A') (E') (E') (A') (E') (E') (A') (A') (E') (E') (A') (E') (E') (A') (E') (E') (A') (E') (E') (E') (E') (A') (A') (A') (E') (E') (E') (E') (A') (A') (E') (E') (E') (E') (A') (E') (E') (A') (E') (E') (A") (E") (E") (E') (E') (A') (A") (E") (E") (A") (E") (E") Virtual (A") (E") (E") (E") (E") (A") (A") (A') (E") (E") (E') (E') (E') (E') (A") (A') (E') (E') (A') (A') (E') (E') (A') (E') (E') (E') (E') (E') (E') (A') (A') (A') (E') (E') (A') (E') (E') (A') (E') (E') (E') (E') (A") (A') (E') (E') (E") (E") (A') (E') (E') (A') (A') (A") (E") (E") (A') (E') (E') (E') (E') (A') (E') (E') (A') (E') (E') (A") (E") (E") (A") (E") (E") (E') (E') (A') (E") (E") (A") (A") (A') (E') (E') (E") (E") (E') (E') (A') (E') (E') (A') (A") (E') (E') (A') (E') (E') (A') (E') (E') (A') (A') (A') (E') (E') (A') (E') (E') (E') (E') (A') (E') (E') (E') (E') (E') (E') (A') (E") (E") (A") (A') (E') (E') (A') (E") (E") (A') (E') (E') (A") (E") (E") (A") (E") (E") (A') (A") (E") (E") (E') (E') (A") (E") (E") (E') (E') (A') (A') (A") (E') (E') (E') (E') (A') (A') (E') (E') (A') (E') (E') (A') (E") (E") (E') (E') (A') (E') (E') (A') (A') (E') (E') (E') (E') (E") (E") (A") (A') (E') (E') (A") (A') (E') (E') (E') (E') (A') (E") (E") (A") (E") (E") (A") (E") (E") (A") (A') (E") (E") (E') (E') (E') (E') (A') (A') (A") (E") (E") (A') (E') (E') (A') (E') (E') (E') (E') (A') (E') (E') (E') (E') (A') (E') (E') (A') (A') (E') (E') (A') (E') (E') (A') (E') (E') (A') (E') (E') (A') (E') (E') (A') (E') (E') (A') (E') (E') (A') (E') (E') (A') The electronic state of the initial guess is 1-A'. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -732.700463336 A.U. after 14 cycles NFock= 14 Conv=0.79D-08 -V/T= 2.0100 ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: Occupied (A') (E') (E') (A') (A') (E') (E') (E') (E') (A') (E') (E') (A') (A') (E') (E') (E') (E') (A') (A') (E') (E') (A') (E') (E') (E') (E') (A') (A') (E') (E') (E') (E') (A') (A') (A') (E') (E') (E') (E') (A') (E') (E') (A') (E') (E') (E') (E') (A") (A') (A') (E") (E") (E') (E') (E') (E') (A") (A') (E") (E") (E") (E") (A") Virtual (A") (E") (E") (E") (E") (A") (A") (A') (E') (E') (E') (E') (A') (E") (E") (E') (E') (A") (A') (A') (E') (E') (A') (E') (E') (E') (E') (E') (E') (A') (A') (E') (E') (A') (A') (E') (E') (A') (E') (E') (A") (E') (E') (A') (E") (E") (E') (E') (A') (A') (A") (E') (E') (A') (E") (E") (E') (E') (E') (E') (A') (A') (E') (E') (A") (A') (E') (E') (E") (E") (A") (E") (E") (E') (E') (A') (E") (E") (A") (A") (E") (E") (A") (A') (E') (E') (A') (E') (E') (A') (E') (E') (E') (E') (E') (E') (A') (A') (E') (E') (A') (A') (A') (E') (E') (A') (E') (E') (E') (E') (A') (E') (E') (E') (E') (E') (E') (A') (A') (E") (E") (E') (E') (A") (A') (E") (E") (A') (E') (E') (A") (E") (E") (A') (E') (E') (A") (E") (E") (A") (E") (E") (E') (E') (A") (E") (E") (A') (A') (A") (E') (E') (E') (E') (A') (A') (E') (E') (A') (E') (E') (E") (E") (A') (E') (E') (A') (E') (E') (A') (E') (E') (A') (E') (E') (E") (E") (A") (A') (E') (E') (A") (A') (E') (E') (E') (E') (E") (E") (A') (A") (E") (E") (A") (E") (E") (A") (A') (E") (E") (E') (E') (E') (E') (A') (A') (A") (E") (E") (E') (E') (A') (A') (E') (E') (E') (E') (E') (E') (A') (E') (E') (A') (A') (E') (E') (A') (E') (E') (A') (E') (E') (A') (E') (E') (A') (E') (E') (A') (E') (E') (A') (E') (E') (E') (E') (A') (A') (E') (E') (A') The electronic state is 1-A'. Alpha occ. eigenvalues -- -10.44032 -10.37200 -10.37200 -10.37200 -10.33606 Alpha occ. eigenvalues -- -10.33605 -10.33605 -10.33605 -10.33605 -10.33605 Alpha occ. eigenvalues -- -10.33512 -10.33512 -10.33512 -10.32404 -10.32404 Alpha occ. eigenvalues -- -10.32404 -10.32402 -10.32402 -10.32402 -1.01171 Alpha occ. eigenvalues -- -0.99307 -0.99307 -0.94061 -0.89716 -0.89716 Alpha occ. eigenvalues -- -0.88246 -0.88246 -0.87893 -0.82965 -0.75367 Alpha occ. eigenvalues -- -0.75367 -0.75105 -0.75105 -0.72306 -0.71812 Alpha occ. eigenvalues -- -0.66403 -0.65415 -0.65415 -0.61508 -0.61508 Alpha occ. eigenvalues -- -0.59227 -0.59046 -0.59046 -0.57671 -0.56410 Alpha occ. eigenvalues -- -0.56410 -0.54079 -0.54079 -0.53085 -0.53036 Alpha occ. eigenvalues -- -0.51417 -0.50144 -0.50144 -0.49917 -0.49917 Alpha occ. eigenvalues -- -0.46087 -0.46087 -0.44776 -0.44617 -0.39273 Alpha occ. eigenvalues -- -0.39273 -0.38569 -0.38569 -0.38377 Alpha virt. eigenvalues -- -0.27635 -0.15126 -0.15126 -0.13730 -0.13730 Alpha virt. eigenvalues -- -0.12182 -0.08742 -0.06582 -0.02265 -0.02265 Alpha virt. eigenvalues -- 0.00544 0.00544 0.01409 0.02071 0.02071 Alpha virt. eigenvalues -- 0.03337 0.03337 0.04173 0.04615 0.05447 Alpha virt. eigenvalues -- 0.06440 0.06440 0.07914 0.08645 0.08645 Alpha virt. eigenvalues -- 0.14836 0.14836 0.15636 0.15636 0.15641 Alpha virt. eigenvalues -- 0.16960 0.19333 0.19333 0.19496 0.20730 Alpha virt. eigenvalues -- 0.23476 0.23476 0.28423 0.30225 0.30225 Alpha virt. eigenvalues -- 0.35353 0.35618 0.35618 0.38679 0.38840 Alpha virt. eigenvalues -- 0.38840 0.40676 0.40676 0.40782 0.42255 Alpha virt. eigenvalues -- 0.42357 0.42754 0.42754 0.43061 0.43398 Alpha virt. eigenvalues -- 0.43398 0.45255 0.45255 0.45644 0.45644 Alpha virt. eigenvalues -- 0.46689 0.47083 0.47800 0.47800 0.48032 Alpha virt. eigenvalues -- 0.48255 0.48928 0.48928 0.48979 0.48979 Alpha virt. eigenvalues -- 0.50533 0.52787 0.52787 0.55991 0.55991 Alpha virt. eigenvalues -- 0.56719 0.57134 0.57134 0.58703 0.60951 Alpha virt. eigenvalues -- 0.66326 0.66326 0.68339 0.68470 0.70456 Alpha virt. eigenvalues -- 0.70456 0.71668 0.71699 0.71699 0.72227 Alpha virt. eigenvalues -- 0.72288 0.72288 0.76971 0.76971 0.77666 Alpha virt. eigenvalues -- 0.77666 0.78052 0.80126 0.80645 0.80645 Alpha virt. eigenvalues -- 0.81086 0.81835 0.86868 0.86935 0.86935 Alpha virt. eigenvalues -- 0.93796 0.94182 0.94182 0.95636 0.95636 Alpha virt. eigenvalues -- 0.96618 1.02186 1.02186 1.02497 1.02497 Alpha virt. eigenvalues -- 1.05475 1.05475 1.06899 1.08028 1.10845 Alpha virt. eigenvalues -- 1.10845 1.11375 1.11375 1.11434 1.13216 Alpha virt. eigenvalues -- 1.13782 1.13782 1.21280 1.21764 1.21764 Alpha virt. eigenvalues -- 1.28420 1.28556 1.28556 1.28837 1.31949 Alpha virt. eigenvalues -- 1.31949 1.34708 1.35157 1.35157 1.35528 Alpha virt. eigenvalues -- 1.35644 1.35644 1.36884 1.36884 1.38838 Alpha virt. eigenvalues -- 1.38977 1.38977 1.39120 1.43152 1.50887 Alpha virt. eigenvalues -- 1.50921 1.50921 1.55091 1.55091 1.55535 Alpha virt. eigenvalues -- 1.64490 1.66758 1.66758 1.70898 1.70914 Alpha virt. eigenvalues -- 1.70914 1.72674 1.72674 1.74305 1.78316 Alpha virt. eigenvalues -- 1.78316 1.80283 1.85218 1.85218 1.87182 Alpha virt. eigenvalues -- 1.88170 1.88170 1.89738 1.93141 1.93141 Alpha virt. eigenvalues -- 1.96464 1.96464 1.96474 1.98762 2.01150 Alpha virt. eigenvalues -- 2.01150 2.01563 2.02419 2.03790 2.03790 Alpha virt. eigenvalues -- 2.08013 2.08013 2.08304 2.08304 2.10101 Alpha virt. eigenvalues -- 2.10859 2.12362 2.12362 2.15044 2.17007 Alpha virt. eigenvalues -- 2.17007 2.22352 2.24209 2.29014 2.29014 Alpha virt. eigenvalues -- 2.30397 2.30397 2.43721 2.43721 2.45492 Alpha virt. eigenvalues -- 2.46215 2.49491 2.50167 2.50167 2.51983 Alpha virt. eigenvalues -- 2.51983 2.53438 2.53947 2.55518 2.55518 Alpha virt. eigenvalues -- 2.62067 2.62067 2.64427 2.64427 2.64559 Alpha virt. eigenvalues -- 2.68533 2.68533 2.75772 2.78733 2.80902 Alpha virt. eigenvalues -- 2.80902 2.95927 3.00200 3.00200 3.22020 Alpha virt. eigenvalues -- 3.26512 3.26512 3.81533 3.94861 3.94861 Alpha virt. eigenvalues -- 3.96272 3.98209 3.98209 4.00270 4.00919 Alpha virt. eigenvalues -- 4.00919 4.06582 4.20743 4.20743 4.21449 Alpha virt. eigenvalues -- 4.21449 4.21990 4.32061 4.52060 4.52060 Alpha virt. eigenvalues -- 4.61356 Molecular Orbital Coefficients: 1 2 3 4 5 (A')--O (E')--O (E')--O (A')--O (A')--O Eigenvalues -- -10.44032 -10.37200 -10.37200 -10.37200 -10.33606 1 1 C 1S 0.99312 -0.00000 0.00000 -0.00288 0.00000 2 2S 0.04816 -0.00000 0.00000 -0.00049 -0.00000 3 2PX 0.00000 0.00016 -0.00037 -0.00000 0.00000 4 2PY 0.00000 -0.00037 -0.00016 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.01811 0.00000 -0.00000 0.00602 0.00000 7 3PX -0.00000 -0.00081 0.00189 0.00000 -0.00000 8 3PY -0.00000 0.00189 0.00081 -0.00000 -0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.00883 0.00010 -0.00022 -0.00071 0.00000 11 4YY -0.00883 -0.00010 0.00022 -0.00071 0.00000 12 4ZZ -0.00880 -0.00000 0.00000 -0.00032 -0.00000 13 4XY 0.00000 0.00026 0.00011 -0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00137 -0.31937 0.74516 0.57327 -0.00000 17 2S -0.00020 -0.01582 0.03692 0.02840 -0.00000 18 2PX 0.00030 0.00004 -0.00008 0.00001 -0.00000 19 2PY 0.00000 -0.00004 -0.00002 0.00000 -0.00025 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S 0.00489 0.00611 -0.01426 -0.01218 0.00000 22 3PX -0.00277 0.00076 -0.00177 -0.00158 0.00000 23 3PY -0.00000 0.00005 0.00002 -0.00000 0.00156 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX -0.00055 0.00290 -0.00676 -0.00518 -0.00000 26 4YY -0.00025 0.00291 -0.00679 -0.00520 -0.00000 27 4ZZ -0.00021 0.00294 -0.00685 -0.00530 -0.00000 28 4XY -0.00000 0.00006 0.00002 0.00000 -0.00016 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00001 -0.00176 0.00407 0.00311 0.40543 32 2S -0.00001 0.00006 -0.00009 -0.00012 0.02039 33 2PX 0.00003 -0.00006 0.00012 0.00011 0.00001 34 2PY -0.00002 -0.00009 0.00022 0.00018 -0.00008 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -0.00039 -0.00189 0.00466 0.00419 -0.00680 37 3PX 0.00030 0.00054 -0.00062 -0.00069 -0.00006 38 3PY -0.00003 0.00121 -0.00247 -0.00229 0.00032 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX -0.00002 0.00009 -0.00025 -0.00021 -0.00374 41 4YY 0.00010 0.00013 -0.00034 -0.00025 -0.00381 42 4ZZ -0.00001 0.00006 -0.00015 -0.00013 -0.00389 43 4XY -0.00001 0.00002 -0.00009 -0.00005 0.00005 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00002 -0.00002 0.00004 0.00004 0.00989 47 2S -0.00007 -0.00003 0.00008 0.00008 0.00034 48 2PX 0.00001 0.00001 0.00000 -0.00000 0.00011 49 2PY 0.00001 0.00000 -0.00001 -0.00002 0.00003 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00040 0.00054 -0.00173 -0.00165 0.00190 52 3PX -0.00012 -0.00005 0.00037 0.00025 -0.00058 53 3PY -0.00042 -0.00062 0.00139 0.00151 -0.00038 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.00001 -0.00002 0.00005 0.00005 -0.00028 56 4YY -0.00000 -0.00001 0.00002 0.00001 -0.00018 57 4ZZ -0.00003 -0.00001 0.00003 0.00003 -0.00014 58 4XY 0.00000 0.00000 -0.00000 0.00000 0.00001 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00001 0.00003 -0.00007 -0.00006 0.00000 62 2S 0.00004 0.00004 -0.00010 -0.00012 0.00000 63 2PX 0.00001 0.00000 -0.00001 -0.00001 0.00000 64 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00003 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.00069 -0.00097 0.00227 0.00251 -0.00000 67 3PX 0.00040 0.00050 -0.00117 -0.00126 0.00000 68 3PY 0.00000 -0.00003 -0.00001 0.00000 -0.00021 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.00001 0.00000 -0.00001 -0.00000 -0.00000 71 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 72 4ZZ 0.00001 0.00001 -0.00003 -0.00004 -0.00000 73 4XY -0.00000 -0.00000 -0.00000 0.00000 -0.00002 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00002 -0.00002 0.00004 0.00004 -0.00987 77 2S -0.00007 -0.00004 0.00007 0.00008 -0.00034 78 2PX 0.00001 -0.00001 -0.00000 -0.00000 -0.00011 79 2PY -0.00001 -0.00001 0.00001 0.00002 0.00003 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00040 0.00088 -0.00158 -0.00165 -0.00189 82 3PX -0.00012 -0.00023 0.00029 0.00025 0.00058 83 3PY 0.00042 0.00058 -0.00141 -0.00151 -0.00038 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.00001 -0.00002 0.00005 0.00005 0.00028 86 4YY -0.00000 -0.00001 0.00002 0.00001 0.00018 87 4ZZ -0.00003 -0.00001 0.00003 0.00003 0.00014 88 4XY -0.00000 -0.00000 0.00001 -0.00000 0.00001 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00001 -0.00173 0.00408 0.00311 -0.40494 92 2S -0.00001 0.00002 -0.00010 -0.00012 -0.02036 93 2PX 0.00003 -0.00005 0.00013 0.00011 -0.00001 94 2PY 0.00002 0.00010 -0.00022 -0.00018 -0.00008 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.00039 -0.00207 0.00459 0.00419 0.00679 97 3PX 0.00030 0.00008 -0.00082 -0.00069 0.00005 98 3PY 0.00003 -0.00096 0.00258 0.00229 0.00032 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX -0.00002 0.00012 -0.00024 -0.00021 0.00374 101 4YY 0.00010 0.00015 -0.00033 -0.00025 0.00380 102 4ZZ -0.00001 0.00006 -0.00015 -0.00013 0.00388 103 4XY 0.00001 -0.00005 0.00008 0.00005 0.00005 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.00000 0.00001 -0.00002 -0.00003 0.00017 107 2S 0.00014 -0.00009 0.00074 0.00032 -0.00188 108 9 H 1S 0.00002 0.00002 -0.00006 -0.00007 -0.00000 109 2S 0.00014 0.00014 -0.00036 -0.00038 0.00000 110 10 H 1S -0.00001 -0.00001 0.00002 0.00001 -0.00000 111 2S -0.00009 -0.00011 0.00026 0.00028 -0.00000 112 11 H 1S 0.00002 0.00003 -0.00006 -0.00007 0.00000 113 2S 0.00014 0.00016 -0.00035 -0.00038 -0.00000 114 12 H 1S 0.00000 0.00001 -0.00002 -0.00003 -0.00017 115 2S 0.00014 -0.00048 0.00057 0.00032 0.00188 116 13 C 1S 0.00137 0.80501 -0.09600 0.57327 -0.00000 117 2S -0.00020 0.03988 -0.00476 0.02840 -0.00000 118 2PX -0.00015 0.00004 -0.00004 -0.00000 0.00022 119 2PY 0.00026 -0.00008 -0.00001 0.00001 0.00013 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 0.00489 -0.01541 0.00184 -0.01218 0.00000 122 3PX 0.00138 0.00096 -0.00007 0.00079 -0.00135 123 3PY -0.00240 -0.00166 0.00022 -0.00137 -0.00078 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.00032 -0.00733 0.00083 -0.00519 -0.00012 126 4YY -0.00047 -0.00731 0.00092 -0.00519 0.00012 127 4ZZ -0.00021 -0.00740 0.00088 -0.00530 -0.00000 128 4XY 0.00015 -0.00001 0.00003 -0.00001 0.00008 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00001 0.00440 -0.00054 0.00311 -0.40494 132 2S -0.00001 -0.00010 0.00003 -0.00012 -0.02036 133 2PX -0.00003 0.00014 -0.00001 0.00011 0.00007 134 2PY 0.00002 0.00024 -0.00003 0.00018 0.00003 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -0.00039 0.00501 -0.00050 0.00419 0.00679 137 3PX -0.00018 -0.00198 0.00023 -0.00164 -0.00030 138 3PY 0.00024 -0.00201 0.00052 -0.00174 -0.00011 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00007 -0.00027 0.00003 -0.00020 0.00382 141 4YY 0.00000 -0.00036 0.00002 -0.00026 0.00372 142 4ZZ -0.00001 -0.00016 0.00002 -0.00013 0.00388 143 4XY 0.00006 -0.00009 0.00001 -0.00005 0.00001 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S -0.00002 0.00005 -0.00000 0.00004 -0.00987 147 2S -0.00007 0.00008 -0.00000 0.00008 -0.00034 148 2PX 0.00001 -0.00001 -0.00000 -0.00002 0.00003 149 2PY 0.00002 -0.00000 0.00000 -0.00001 -0.00011 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00040 -0.00181 0.00003 -0.00165 -0.00189 152 3PX -0.00030 0.00112 -0.00020 0.00118 0.00004 153 3PY -0.00031 0.00107 -0.00006 0.00097 0.00069 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX -0.00000 0.00004 -0.00001 0.00002 0.00022 156 4YY 0.00001 0.00005 -0.00001 0.00004 0.00025 157 4ZZ -0.00003 0.00003 -0.00000 0.00003 0.00014 158 4XY -0.00001 -0.00002 0.00000 -0.00002 -0.00006 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00001 -0.00008 0.00001 -0.00006 0.00000 162 2S 0.00004 -0.00011 0.00001 -0.00012 0.00000 163 2PX -0.00001 0.00000 0.00000 0.00001 0.00003 164 2PY 0.00001 -0.00001 0.00000 -0.00001 0.00002 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.00069 0.00245 -0.00029 0.00251 -0.00000 167 3PX -0.00020 0.00063 -0.00010 0.00063 0.00018 168 3PY 0.00035 -0.00110 0.00012 -0.00109 0.00010 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX -0.00000 -0.00001 0.00000 0.00000 -0.00002 171 4YY -0.00000 -0.00001 -0.00000 -0.00000 0.00002 172 4ZZ 0.00001 -0.00004 0.00000 -0.00004 -0.00000 173 4XY 0.00000 0.00000 -0.00000 0.00000 0.00001 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.00002 0.00005 -0.00001 0.00004 0.00989 177 2S -0.00007 0.00008 -0.00002 0.00008 0.00034 178 2PX -0.00002 0.00001 -0.00000 0.00002 -0.00008 179 2PY 0.00000 0.00000 -0.00001 0.00001 0.00009 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00040 -0.00177 0.00039 -0.00165 0.00190 182 3PX 0.00042 -0.00148 0.00021 -0.00143 0.00062 183 3PY 0.00011 -0.00046 -0.00004 -0.00053 -0.00031 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.00000 0.00003 -0.00000 0.00002 -0.00020 186 4YY 0.00000 0.00005 -0.00000 0.00004 -0.00027 187 4ZZ -0.00003 0.00003 -0.00000 0.00003 -0.00014 188 4XY -0.00001 -0.00001 0.00000 -0.00002 0.00005 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00001 0.00440 -0.00051 0.00311 0.40543 192 2S -0.00001 -0.00010 -0.00001 -0.00012 0.02039 193 2PX 0.00000 -0.00028 0.00003 -0.00021 0.00006 194 2PY 0.00003 -0.00000 0.00001 -0.00000 0.00005 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.00039 0.00498 -0.00069 0.00419 -0.00680 197 3PX -0.00012 0.00278 -0.00009 0.00233 -0.00025 198 3PY 0.00027 0.00067 -0.00023 0.00055 -0.00021 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00006 -0.00040 0.00007 -0.00028 -0.00375 201 4YY 0.00001 -0.00022 0.00003 -0.00018 -0.00379 202 4ZZ -0.00001 -0.00016 0.00002 -0.00013 -0.00389 203 4XY 0.00006 -0.00000 -0.00001 0.00000 -0.00006 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 -0.00002 0.00000 -0.00003 -0.00017 207 2S 0.00014 0.00073 0.00013 0.00032 0.00188 208 20 H 1S 0.00002 -0.00006 0.00000 -0.00007 0.00000 209 2S 0.00014 -0.00039 0.00004 -0.00038 -0.00000 210 21 H 1S -0.00001 0.00002 -0.00000 0.00001 -0.00000 211 2S -0.00009 0.00028 -0.00003 0.00028 -0.00000 212 22 H 1S 0.00002 -0.00006 0.00001 -0.00007 -0.00000 213 2S 0.00014 -0.00038 0.00005 -0.00038 0.00000 214 23 H 1S 0.00000 -0.00002 0.00000 -0.00003 0.00017 215 2S 0.00014 0.00068 -0.00029 0.00032 -0.00188 216 24 C 1S 0.00137 -0.48564 -0.64916 0.57327 -0.00000 217 2S -0.00020 -0.02406 -0.03216 0.02840 -0.00000 218 2PX -0.00015 0.00000 -0.00006 -0.00000 -0.00022 219 2PY -0.00026 -0.00006 -0.00005 -0.00001 0.00013 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S 0.00489 0.00929 0.01242 -0.01218 0.00000 222 3PX 0.00138 -0.00061 -0.00075 0.00079 0.00135 223 3PY 0.00240 -0.00098 -0.00135 0.00137 -0.00078 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX -0.00032 0.00446 0.00588 -0.00519 0.00012 226 4YY -0.00047 0.00438 0.00592 -0.00519 -0.00012 227 4ZZ -0.00021 0.00447 0.00597 -0.00530 -0.00000 228 4XY -0.00015 0.00001 -0.00003 0.00001 0.00008 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.00001 -0.00266 -0.00354 0.00311 -0.40494 232 2S -0.00001 0.00008 0.00007 -0.00012 -0.02036 233 2PX 0.00000 0.00017 0.00022 -0.00021 -0.00006 234 2PY -0.00003 0.00001 -0.00001 0.00000 0.00005 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -0.00039 -0.00294 -0.00409 0.00419 0.00679 237 3PX -0.00012 -0.00186 -0.00208 0.00233 0.00025 238 3PY -0.00027 0.00030 0.00064 -0.00055 -0.00021 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.00006 0.00023 0.00034 -0.00028 0.00375 241 4YY 0.00001 0.00013 0.00018 -0.00018 0.00379 242 4ZZ -0.00001 0.00010 0.00013 -0.00013 0.00388 243 4XY -0.00006 -0.00001 0.00000 -0.00000 -0.00006 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S -0.00002 -0.00003 -0.00004 0.00004 -0.00987 247 2S -0.00007 -0.00004 -0.00007 0.00008 -0.00034 248 2PX -0.00002 -0.00001 -0.00001 0.00002 0.00008 249 2PY -0.00000 -0.00000 0.00001 -0.00001 0.00009 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00040 0.00093 0.00155 -0.00165 -0.00189 252 3PX 0.00042 0.00087 0.00122 -0.00143 -0.00062 253 3PY -0.00011 -0.00034 -0.00030 0.00053 -0.00031 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX -0.00000 -0.00002 -0.00002 0.00002 0.00020 256 4YY 0.00000 -0.00003 -0.00004 0.00004 0.00027 257 4ZZ -0.00003 -0.00002 -0.00003 0.00003 0.00014 258 4XY 0.00001 -0.00001 -0.00001 0.00002 0.00005 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00001 0.00005 0.00006 -0.00006 0.00000 262 2S 0.00004 0.00007 0.00009 -0.00012 0.00000 263 2PX -0.00001 -0.00000 -0.00000 0.00001 -0.00003 264 2PY -0.00001 -0.00000 -0.00001 0.00001 0.00002 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.00069 -0.00148 -0.00197 0.00251 -0.00000 267 3PX -0.00020 -0.00036 -0.00053 0.00063 -0.00018 268 3PY -0.00035 -0.00067 -0.00087 0.00109 0.00010 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX -0.00000 0.00000 0.00001 0.00000 0.00002 271 4YY -0.00000 0.00001 0.00001 -0.00000 -0.00002 272 4ZZ 0.00001 0.00002 0.00003 -0.00004 -0.00000 273 4XY -0.00000 0.00000 0.00000 -0.00000 0.00001 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.00002 -0.00003 -0.00004 0.00004 0.00989 277 2S -0.00007 -0.00005 -0.00006 0.00008 0.00034 278 2PX 0.00001 0.00001 0.00000 -0.00002 -0.00003 279 2PY -0.00002 -0.00000 -0.00001 0.00001 -0.00011 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.00040 0.00122 0.00133 -0.00165 0.00190 282 3PX -0.00030 -0.00063 -0.00095 0.00118 -0.00004 283 3PY 0.00031 0.00070 0.00082 -0.00097 0.00070 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.00000 -0.00002 -0.00003 0.00002 -0.00022 286 4YY 0.00001 -0.00003 -0.00004 0.00004 -0.00025 287 4ZZ -0.00003 -0.00002 -0.00003 0.00003 -0.00014 288 4XY 0.00001 -0.00001 -0.00002 0.00002 -0.00006 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00001 -0.00264 -0.00355 0.00311 0.40543 292 2S -0.00001 0.00005 0.00009 -0.00012 0.02039 293 2PX -0.00003 -0.00009 -0.00011 0.00011 -0.00007 294 2PY -0.00002 0.00014 0.00019 -0.00018 0.00003 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -0.00039 -0.00309 -0.00397 0.00419 -0.00680 297 3PX -0.00018 0.00120 0.00159 -0.00164 0.00031 298 3PY -0.00024 -0.00101 -0.00182 0.00174 -0.00011 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.00007 0.00016 0.00022 -0.00020 -0.00383 301 4YY 0.00000 0.00024 0.00028 -0.00026 -0.00372 302 4ZZ -0.00001 0.00010 0.00013 -0.00013 -0.00389 303 4XY -0.00006 -0.00006 -0.00007 0.00005 0.00001 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.00000 0.00001 0.00002 -0.00003 -0.00017 307 2S 0.00014 -0.00026 -0.00070 0.00032 0.00188 308 31 H 1S 0.00002 0.00004 0.00005 -0.00007 0.00000 309 2S 0.00014 0.00023 0.00032 -0.00038 -0.00000 310 32 H 1S -0.00001 -0.00001 -0.00002 0.00001 -0.00000 311 2S -0.00009 -0.00017 -0.00023 0.00028 -0.00000 312 33 H 1S 0.00002 0.00004 0.00005 -0.00007 -0.00000 313 2S 0.00014 0.00024 0.00031 -0.00038 0.00000 314 34 H 1S 0.00000 0.00001 0.00002 -0.00003 0.00017 315 2S 0.00014 -0.00060 -0.00044 0.00032 -0.00188 6 7 8 9 10 (E')--O (E')--O (E')--O (E')--O (A')--O Eigenvalues -- -10.33605 -10.33605 -10.33605 -10.33605 -10.33605 1 1 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00001 2 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00015 3 2PX 0.00000 -0.00007 -0.00003 0.00004 -0.00000 4 2PY 0.00007 0.00000 0.00004 0.00003 0.00000 5 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 6 3S -0.00000 0.00000 0.00000 0.00000 0.00217 7 3PX -0.00006 0.00088 0.00112 -0.00172 0.00000 8 3PY -0.00088 -0.00006 -0.00172 -0.00112 0.00000 9 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 10 4XX -0.00000 0.00003 0.00004 -0.00005 0.00010 11 4YY 0.00000 -0.00003 -0.00004 0.00005 0.00010 12 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00004 13 4XY 0.00004 0.00000 0.00006 0.00004 -0.00000 14 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 16 2 C 1S -0.00023 0.00342 -0.00314 0.00480 -0.00471 17 2S -0.00003 0.00048 -0.00039 0.00060 -0.00061 18 2PX -0.00001 0.00015 -0.00018 0.00028 -0.00023 19 2PY 0.00026 0.00002 0.00014 0.00009 0.00000 20 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 21 3S 0.00029 -0.00429 0.00368 -0.00562 0.00550 22 3PX 0.00005 -0.00083 0.00288 -0.00441 0.00310 23 3PY -0.00053 -0.00004 0.00005 0.00004 -0.00000 24 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 25 4XX -0.00001 0.00012 -0.00015 0.00023 -0.00022 26 4YY -0.00002 0.00023 -0.00022 0.00033 -0.00038 27 4ZZ -0.00001 0.00008 -0.00007 0.00010 -0.00013 28 4XY 0.00018 0.00001 0.00007 0.00005 0.00000 29 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 31 3 C 1S -0.47177 -0.32658 0.02469 -0.57168 0.40490 32 2S -0.02369 -0.01642 0.00126 -0.02875 0.02031 33 2PX -0.00002 0.00001 -0.00003 -0.00005 0.00005 34 2PY 0.00012 0.00004 0.00005 0.00014 -0.00009 35 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 36 3S 0.00703 0.00678 -0.00279 0.01198 -0.00889 37 3PX 0.00071 0.00022 0.00022 0.00153 -0.00129 38 3PY -0.00022 -0.00045 0.00091 -0.00248 0.00181 39 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 40 4XX 0.00436 0.00298 -0.00018 0.00529 -0.00377 41 4YY 0.00443 0.00300 -0.00019 0.00530 -0.00371 42 4ZZ 0.00454 0.00312 -0.00022 0.00549 -0.00392 43 4XY -0.00008 -0.00003 -0.00001 -0.00007 0.00005 44 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 46 4 C 1S -0.01151 -0.00789 0.00053 -0.01382 0.00974 47 2S -0.00040 -0.00016 -0.00010 -0.00023 0.00008 48 2PX -0.00014 -0.00012 0.00003 -0.00020 0.00016 49 2PY -0.00002 -0.00004 0.00003 -0.00005 0.00004 50 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 51 3S -0.00226 -0.00295 0.00177 -0.00594 0.00503 52 3PX 0.00094 0.00080 -0.00016 0.00208 -0.00173 53 3PY 0.00019 0.00117 -0.00125 0.00222 -0.00195 54 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 55 4XX 0.00033 0.00024 -0.00003 0.00038 -0.00026 56 4YY 0.00021 0.00014 -0.00000 0.00026 -0.00019 57 4ZZ 0.00016 0.00015 -0.00005 0.00029 -0.00024 58 4XY -0.00002 0.00000 -0.00001 -0.00003 0.00002 59 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 61 5 C 1S 0.00031 -0.00460 0.00426 -0.00651 0.00635 62 2S 0.00002 -0.00030 0.00028 -0.00043 0.00040 63 2PX 0.00000 -0.00002 0.00002 -0.00003 0.00003 64 2PY 0.00004 0.00000 0.00003 0.00002 0.00000 65 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 66 3S -0.00016 0.00232 -0.00251 0.00384 -0.00347 67 3PX 0.00008 -0.00122 0.00139 -0.00213 0.00207 68 3PY -0.00000 -0.00000 -0.00021 -0.00014 0.00000 69 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 70 4XX -0.00000 0.00001 -0.00001 0.00002 -0.00002 71 4YY -0.00000 0.00002 -0.00002 0.00002 -0.00002 72 4ZZ -0.00000 0.00001 -0.00002 0.00003 -0.00003 73 4XY 0.00003 0.00000 0.00002 0.00001 0.00000 74 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 76 6 C 1S 0.01247 -0.00619 0.01247 -0.00605 0.00975 77 2S 0.00042 -0.00010 0.00025 -0.00000 0.00008 78 2PX 0.00015 -0.00010 0.00017 -0.00011 0.00016 79 2PY -0.00002 0.00004 -0.00003 0.00004 -0.00004 80 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 81 3S 0.00263 -0.00260 0.00474 -0.00401 0.00503 82 3PX -0.00104 0.00066 -0.00185 0.00098 -0.00173 83 3PY 0.00034 -0.00113 0.00154 -0.00203 0.00196 84 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 85 4XX -0.00035 0.00019 -0.00034 0.00019 -0.00026 86 4YY -0.00023 0.00011 -0.00024 0.00011 -0.00019 87 4ZZ -0.00018 0.00013 -0.00024 0.00016 -0.00024 88 4XY -0.00002 -0.00000 -0.00004 0.00000 -0.00002 89 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 91 7 C 1S 0.51142 -0.25669 0.51492 -0.25312 0.40540 92 2S 0.02568 -0.01291 0.02588 -0.01274 0.02033 93 2PX 0.00002 0.00001 0.00005 0.00000 0.00005 94 2PY 0.00012 -0.00002 0.00014 -0.00001 0.00009 95 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 96 3S -0.00787 0.00572 -0.00987 0.00738 -0.00890 97 3PX -0.00073 0.00011 -0.00149 0.00042 -0.00129 98 3PY -0.00027 0.00041 -0.00190 0.00183 -0.00181 99 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 100 4XX -0.00472 0.00234 -0.00478 0.00229 -0.00377 101 4YY -0.00479 0.00235 -0.00479 0.00231 -0.00371 102 4ZZ -0.00492 0.00244 -0.00496 0.00241 -0.00393 103 4XY -0.00008 0.00002 -0.00007 0.00002 -0.00005 104 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 106 8 H 1S -0.00023 0.00012 -0.00028 0.00014 -0.00023 107 2S 0.00184 -0.00183 0.00060 -0.00090 0.00048 108 9 H 1S -0.00001 -0.00004 0.00002 -0.00006 0.00004 109 2S 0.00001 -0.00021 0.00043 -0.00049 0.00055 110 10 H 1S -0.00000 0.00002 -0.00004 0.00005 -0.00007 111 2S -0.00002 0.00023 -0.00027 0.00041 -0.00041 112 11 H 1S 0.00002 -0.00004 0.00005 -0.00005 0.00004 113 2S 0.00002 -0.00021 0.00027 -0.00059 0.00055 114 12 H 1S 0.00022 0.00015 -0.00001 0.00031 -0.00023 115 2S -0.00157 -0.00207 0.00058 -0.00090 0.00048 116 13 C 1S -0.00285 -0.00191 0.00573 0.00032 -0.00471 117 2S -0.00040 -0.00027 0.00071 0.00004 -0.00061 118 2PX 0.00019 -0.00015 -0.00017 0.00014 0.00011 119 2PY -0.00004 -0.00018 0.00028 0.00010 -0.00020 120 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 121 3S 0.00357 0.00240 -0.00671 -0.00037 0.00550 122 3PX -0.00060 0.00015 0.00263 0.00020 -0.00155 123 3PY 0.00045 0.00062 -0.00456 -0.00022 0.00268 124 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 125 4XX -0.00025 -0.00000 0.00037 -0.00004 -0.00034 126 4YY -0.00005 -0.00020 0.00031 0.00008 -0.00026 127 4ZZ -0.00007 -0.00004 0.00012 0.00001 -0.00013 128 4XY 0.00001 -0.00011 0.00006 0.00005 -0.00008 129 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 131 14 C 1S -0.03341 0.57125 -0.47667 -0.31937 0.40540 132 2S -0.00166 0.02869 -0.02398 -0.01604 0.02033 133 2PX 0.00005 -0.00010 0.00008 0.00013 -0.00010 134 2PY 0.00000 -0.00005 0.00002 0.00002 0.00000 135 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 136 3S -0.00102 -0.00968 0.01133 0.00486 -0.00890 137 3PX 0.00006 0.00073 -0.00275 -0.00117 0.00221 138 3PY 0.00034 -0.00037 -0.00031 0.00057 -0.00021 139 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 140 4XX 0.00037 -0.00537 0.00443 0.00303 -0.00377 141 4YY 0.00033 -0.00521 0.00434 0.00295 -0.00372 142 4ZZ 0.00034 -0.00548 0.00457 0.00309 -0.00393 143 4XY 0.00000 0.00001 -0.00002 -0.00003 0.00006 144 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 146 15 C 1S -0.00088 0.01390 -0.01148 -0.00777 0.00975 147 2S -0.00012 0.00041 -0.00013 -0.00022 0.00008 148 2PX 0.00001 -0.00006 0.00004 0.00004 -0.00004 149 2PY 0.00002 0.00018 -0.00018 -0.00008 0.00016 150 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 151 3S 0.00094 0.00358 -0.00584 -0.00210 0.00503 152 3PX -0.00068 -0.00013 0.00130 -0.00028 -0.00083 153 3PY -0.00045 -0.00150 0.00280 0.00112 -0.00247 154 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 155 4XX 0.00003 -0.00030 0.00026 0.00019 -0.00022 156 4YY 0.00000 -0.00035 0.00029 0.00017 -0.00023 157 4ZZ -0.00002 -0.00022 0.00026 0.00013 -0.00024 158 4XY -0.00000 0.00008 -0.00007 -0.00004 0.00005 159 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 161 16 C 1S 0.00383 0.00257 -0.00776 -0.00043 0.00635 162 2S 0.00025 0.00017 -0.00051 -0.00003 0.00040 163 2PX 0.00001 -0.00003 0.00002 0.00003 -0.00002 164 2PY 0.00002 -0.00001 -0.00003 0.00001 0.00003 165 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 166 3S -0.00193 -0.00129 0.00458 0.00026 -0.00347 167 3PX -0.00051 -0.00034 0.00128 -0.00014 -0.00103 168 3PY 0.00088 0.00059 -0.00219 -0.00025 0.00179 169 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 170 4XX -0.00003 0.00001 0.00003 -0.00002 -0.00002 171 4YY 0.00000 -0.00003 0.00002 0.00002 -0.00002 172 4ZZ -0.00001 -0.00001 0.00003 0.00000 -0.00003 173 4XY 0.00001 -0.00002 0.00000 0.00001 0.00000 174 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 176 17 C 1S 0.01259 -0.00602 -0.01223 0.00645 0.00974 177 2S 0.00034 -0.00026 -0.00015 0.00020 0.00008 178 2PX -0.00013 0.00002 0.00014 -0.00004 -0.00011 179 2PY 0.00013 -0.00005 -0.00013 0.00006 0.00012 180 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 181 3S 0.00369 -0.00048 -0.00603 0.00144 0.00503 182 3PX 0.00154 0.00016 -0.00315 0.00048 0.00256 183 3PY -0.00046 0.00057 0.00036 -0.00077 -0.00052 184 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 185 4XX -0.00026 0.00011 0.00024 -0.00012 -0.00019 186 4YY -0.00034 0.00017 0.00034 -0.00018 -0.00026 187 4ZZ -0.00021 0.00006 0.00027 -0.00010 -0.00024 188 4XY 0.00007 -0.00001 -0.00005 0.00000 0.00003 189 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 191 18 C 1S 0.51872 -0.24527 -0.50744 0.26446 0.40490 192 2S 0.02606 -0.01231 -0.02552 0.01328 0.02031 193 2PX 0.00008 -0.00006 -0.00007 0.00007 0.00005 194 2PY 0.00005 -0.00006 -0.00007 0.00009 0.00009 195 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 196 3S -0.00939 0.00269 0.01177 -0.00358 -0.00889 197 3PX -0.00016 -0.00028 0.00165 0.00009 -0.00092 198 3PY -0.00072 0.00042 0.00235 -0.00105 -0.00202 199 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 200 4XX -0.00475 0.00229 0.00464 -0.00245 -0.00368 201 4YY -0.00483 0.00234 0.00471 -0.00252 -0.00380 202 4ZZ -0.00497 0.00238 0.00487 -0.00256 -0.00392 203 4XY -0.00006 0.00005 0.00004 -0.00002 0.00000 204 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 206 19 H 1S -0.00024 0.00011 0.00028 -0.00015 -0.00023 207 2S 0.00257 -0.00032 -0.00107 -0.00005 0.00048 208 20 H 1S 0.00003 0.00003 -0.00007 -0.00002 0.00004 209 2S 0.00017 0.00012 -0.00065 0.00006 0.00055 210 21 H 1S -0.00002 -0.00001 0.00006 0.00000 -0.00007 211 2S -0.00019 -0.00013 0.00049 0.00003 -0.00041 212 22 H 1S 0.00004 0.00001 -0.00007 0.00001 0.00004 213 2S 0.00018 0.00011 -0.00064 -0.00013 0.00055 214 23 H 1S 0.00002 -0.00026 0.00026 0.00018 -0.00023 215 2S 0.00067 0.00251 -0.00107 -0.00007 0.00048 216 24 C 1S 0.00308 -0.00151 -0.00259 -0.00512 -0.00471 217 2S 0.00044 -0.00021 -0.00032 -0.00064 -0.00061 218 2PX -0.00017 -0.00017 -0.00006 0.00022 0.00011 219 2PY -0.00006 0.00018 0.00021 0.00022 0.00019 220 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 221 3S -0.00387 0.00189 0.00303 0.00600 0.00550 222 3PX 0.00057 0.00023 -0.00124 -0.00233 -0.00155 223 3PY 0.00053 -0.00056 -0.00203 -0.00408 -0.00268 224 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 225 4XX 0.00024 0.00003 -0.00011 -0.00036 -0.00034 226 4YY 0.00008 -0.00019 -0.00020 -0.00025 -0.00026 227 4ZZ 0.00007 -0.00004 -0.00006 -0.00011 -0.00013 228 4XY -0.00001 0.00011 0.00006 0.00003 0.00008 229 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 231 25 C 1S -0.47801 -0.31456 -0.03825 0.57249 0.40540 232 2S -0.02402 -0.01579 -0.00191 0.02879 0.02033 233 2PX -0.00007 -0.00007 -0.00004 0.00009 0.00005 234 2PY 0.00004 0.00007 0.00006 -0.00010 -0.00009 235 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 236 3S 0.00889 0.00396 -0.00145 -0.01224 -0.00890 237 3PX 0.00019 -0.00026 -0.00074 -0.00147 -0.00092 238 3PY -0.00065 -0.00051 -0.00002 0.00258 0.00202 239 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 240 4XX 0.00437 0.00292 0.00038 -0.00524 -0.00369 241 4YY 0.00444 0.00298 0.00042 -0.00535 -0.00380 242 4ZZ 0.00458 0.00304 0.00039 -0.00550 -0.00393 243 4XY -0.00005 -0.00006 -0.00000 0.00004 -0.00000 244 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 246 26 C 1S -0.01160 -0.00771 -0.00099 0.01383 0.00975 247 2S -0.00030 -0.00031 -0.00012 0.00022 0.00008 248 2PX 0.00012 0.00004 -0.00002 -0.00014 -0.00011 249 2PY 0.00012 0.00007 0.00000 -0.00015 -0.00012 250 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 251 3S -0.00357 -0.00098 0.00111 0.00611 0.00503 252 3PX -0.00155 -0.00005 0.00082 0.00308 0.00256 253 3PY -0.00037 -0.00063 -0.00056 0.00064 0.00052 254 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 255 4XX 0.00024 0.00014 0.00001 -0.00027 -0.00019 256 4YY 0.00032 0.00021 0.00003 -0.00038 -0.00026 257 4ZZ 0.00020 0.00009 -0.00002 -0.00029 -0.00024 258 4XY 0.00006 0.00002 -0.00002 -0.00005 -0.00003 259 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 261 27 C 1S -0.00414 0.00203 0.00351 0.00694 0.00635 262 2S -0.00027 0.00013 0.00023 0.00046 0.00040 263 2PX -0.00001 -0.00003 -0.00003 -0.00000 -0.00002 264 2PY 0.00002 0.00001 -0.00000 -0.00004 -0.00003 265 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 266 3S 0.00208 -0.00102 -0.00207 -0.00409 -0.00347 267 3PX 0.00055 -0.00027 -0.00038 -0.00123 -0.00103 268 3PY 0.00095 -0.00047 -0.00110 -0.00191 -0.00179 269 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 270 4XX 0.00003 0.00001 0.00001 -0.00003 -0.00002 271 4YY 0.00000 -0.00003 -0.00003 -0.00001 -0.00002 272 4ZZ 0.00001 -0.00001 -0.00001 -0.00003 -0.00003 273 4XY 0.00000 0.00002 0.00001 -0.00000 -0.00000 274 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 276 28 C 1S -0.00108 0.01392 0.01170 0.00736 0.00974 277 2S 0.00006 0.00042 0.00025 0.00003 0.00008 278 2PX -0.00000 -0.00006 -0.00005 -0.00002 -0.00004 279 2PY 0.00005 -0.00017 -0.00015 -0.00013 -0.00016 280 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 281 3S -0.00142 0.00343 0.00426 0.00451 0.00503 282 3PX 0.00069 -0.00004 -0.00027 -0.00131 -0.00083 283 3PY -0.00066 0.00143 0.00215 0.00212 0.00247 284 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 285 4XX 0.00001 -0.00031 -0.00028 -0.00016 -0.00022 286 4YY 0.00005 -0.00035 -0.00027 -0.00020 -0.00023 287 4ZZ 0.00005 -0.00022 -0.00022 -0.00019 -0.00024 288 4XY 0.00001 -0.00008 -0.00006 -0.00005 -0.00005 289 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 291 29 C 1S -0.04694 0.57186 0.48274 0.30722 0.40490 292 2S -0.00237 0.02872 0.02426 0.01546 0.02031 293 2PX -0.00003 -0.00011 -0.00015 -0.00003 -0.00010 294 2PY -0.00000 0.00005 0.00002 0.00001 -0.00000 295 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 296 3S 0.00236 -0.00948 -0.00898 -0.00841 -0.00889 297 3PX -0.00016 0.00072 0.00218 0.00205 0.00221 298 3PY 0.00028 0.00042 0.00040 -0.00052 0.00021 299 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 300 4XX 0.00038 -0.00538 -0.00454 -0.00283 -0.00376 301 4YY 0.00040 -0.00522 -0.00444 -0.00278 -0.00371 302 4ZZ 0.00043 -0.00549 -0.00465 -0.00293 -0.00392 303 4XY 0.00000 -0.00001 -0.00003 -0.00000 -0.00006 304 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 306 30 H 1S 0.00002 -0.00026 -0.00027 -0.00017 -0.00023 307 2S -0.00101 0.00239 0.00049 0.00095 0.00048 308 31 H 1S -0.00004 0.00001 0.00002 0.00007 0.00004 309 2S -0.00020 0.00009 0.00038 0.00053 0.00055 310 32 H 1S 0.00002 -0.00001 -0.00003 -0.00006 -0.00007 311 2S 0.00020 -0.00010 -0.00022 -0.00044 -0.00041 312 33 H 1S -0.00003 0.00003 0.00004 0.00005 0.00004 313 2S -0.00019 0.00010 0.00020 0.00062 0.00055 314 34 H 1S 0.00022 0.00014 0.00002 -0.00031 -0.00023 315 2S -0.00250 -0.00068 0.00048 0.00097 0.00048 11 12 13 14 15 (E')--O (E')--O (A')--O (A')--O (E')--O Eigenvalues -- -10.33512 -10.33512 -10.33512 -10.32404 -10.32404 1 1 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 2 2S -0.00000 0.00000 -0.00004 -0.00000 -0.00000 3 2PX -0.00002 -0.00003 -0.00000 -0.00000 0.00002 4 2PY 0.00003 -0.00002 -0.00000 -0.00000 0.00006 5 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 -0.00000 0.00132 -0.00000 0.00000 7 3PX -0.00034 -0.00056 -0.00000 0.00000 -0.00052 8 3PY 0.00056 -0.00034 -0.00000 0.00000 -0.00187 9 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 10 4XX -0.00001 -0.00002 0.00002 -0.00000 -0.00000 11 4YY 0.00001 0.00002 0.00002 -0.00000 0.00000 12 4ZZ -0.00000 0.00000 -0.00001 -0.00000 0.00000 13 4XY -0.00002 0.00001 0.00000 -0.00000 0.00001 14 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.00006 -0.00010 0.00008 0.00000 -0.00000 17 2S 0.00004 0.00007 -0.00010 0.00000 -0.00001 18 2PX 0.00003 0.00005 -0.00002 0.00000 0.00000 19 2PY 0.00001 -0.00000 -0.00000 -0.00003 -0.00001 20 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 21 3S -0.00073 -0.00119 0.00142 -0.00001 0.00021 22 3PX -0.00098 -0.00159 0.00122 -0.00001 -0.00037 23 3PY 0.00018 -0.00011 0.00000 0.00071 0.00113 24 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 25 4XX 0.00001 0.00001 -0.00002 0.00000 0.00001 26 4YY -0.00000 -0.00000 0.00001 0.00000 -0.00000 27 4ZZ 0.00002 0.00003 -0.00004 0.00000 -0.00000 28 4XY 0.00001 -0.00001 -0.00000 0.00001 -0.00003 29 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00360 0.00582 -0.00482 0.01003 0.01365 32 2S 0.00012 0.00022 -0.00021 0.00070 0.00096 33 2PX -0.00001 0.00003 -0.00003 0.00016 0.00021 34 2PY -0.00002 -0.00002 0.00002 -0.00002 0.00000 35 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 36 3S 0.00205 0.00275 -0.00190 -0.00272 -0.00376 37 3PX 0.00087 0.00068 -0.00041 -0.00089 -0.00095 38 3PY -0.00027 -0.00093 0.00084 0.00081 0.00070 39 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 40 4XX -0.00005 -0.00010 0.00009 0.00008 0.00011 41 4YY -0.00006 -0.00008 0.00007 -0.00001 -0.00000 42 4ZZ -0.00005 -0.00009 0.00006 -0.00004 -0.00005 43 4XY -0.00001 0.00001 -0.00001 0.00002 0.00004 44 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.01087 -0.01759 0.01463 -0.40446 -0.55041 47 2S -0.00024 -0.00043 0.00038 -0.02033 -0.02766 48 2PX 0.00008 0.00009 -0.00007 0.00007 0.00010 49 2PY -0.00014 -0.00022 0.00018 0.00014 0.00019 50 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 51 3S -0.00417 -0.00606 0.00457 0.00635 0.00845 52 3PX 0.00040 0.00032 -0.00018 -0.00069 -0.00081 53 3PY 0.00181 0.00293 -0.00225 -0.00113 -0.00141 54 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 55 4XX 0.00023 0.00038 -0.00032 0.00375 0.00510 56 4YY 0.00025 0.00041 -0.00034 0.00382 0.00520 57 4ZZ 0.00020 0.00031 -0.00026 0.00390 0.00531 58 4XY -0.00004 -0.00008 0.00007 0.00005 0.00007 59 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 61 5 C 1S -0.42617 -0.68886 0.57277 -0.00004 -0.00011 62 2S -0.02141 -0.03461 0.02874 -0.00000 -0.00001 63 2PX 0.00015 0.00025 -0.00020 0.00000 0.00000 64 2PY 0.00001 -0.00001 0.00000 0.00020 0.00028 65 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 66 3S 0.00835 0.01350 -0.01074 0.00001 0.00010 67 3PX -0.00233 -0.00376 0.00278 -0.00001 -0.00007 68 3PY -0.00003 0.00002 -0.00000 -0.00112 -0.00156 69 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 70 4XX 0.00399 0.00645 -0.00536 -0.00000 -0.00000 71 4YY 0.00395 0.00638 -0.00530 -0.00000 -0.00000 72 4ZZ 0.00410 0.00662 -0.00552 0.00000 0.00000 73 4XY -0.00000 0.00000 -0.00000 -0.00007 -0.00010 74 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.01088 -0.01758 0.01463 0.40590 0.55461 77 2S -0.00028 -0.00041 0.00038 0.02040 0.02788 78 2PX 0.00005 0.00011 -0.00007 -0.00007 -0.00009 79 2PY 0.00013 0.00022 -0.00018 0.00014 0.00019 80 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 81 3S -0.00356 -0.00643 0.00457 -0.00639 -0.00881 82 3PX 0.00010 0.00050 -0.00018 0.00070 0.00093 83 3PY -0.00182 -0.00293 0.00225 -0.00114 -0.00153 84 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 85 4XX 0.00024 0.00037 -0.00032 -0.00377 -0.00514 86 4YY 0.00025 0.00041 -0.00034 -0.00383 -0.00523 87 4ZZ 0.00019 0.00032 -0.00026 -0.00392 -0.00535 88 4XY 0.00005 0.00007 -0.00007 0.00006 0.00007 89 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00360 0.00582 -0.00482 -0.01006 -0.01376 92 2S 0.00014 0.00020 -0.00021 -0.00070 -0.00097 93 2PX 0.00004 0.00000 -0.00003 -0.00016 -0.00022 94 2PY 0.00001 0.00003 -0.00002 -0.00002 -0.00000 95 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 96 3S 0.00155 0.00306 -0.00190 0.00274 0.00402 97 3PX 0.00022 0.00108 -0.00041 0.00090 0.00119 98 3PY 0.00071 0.00065 -0.00084 0.00082 0.00096 99 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 100 4XX -0.00007 -0.00009 0.00009 -0.00008 -0.00011 101 4YY -0.00005 -0.00009 0.00007 0.00001 0.00001 102 4ZZ -0.00005 -0.00009 0.00006 0.00004 0.00006 103 4XY -0.00001 0.00000 0.00001 0.00002 0.00004 104 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.00002 0.00005 -0.00003 -0.00000 0.00000 107 2S 0.00005 -0.00076 -0.00009 0.00038 0.00024 108 9 H 1S -0.00001 -0.00001 0.00000 -0.00017 -0.00023 109 2S -0.00032 -0.00050 0.00040 0.00041 0.00060 110 10 H 1S 0.00021 0.00035 -0.00028 0.00000 0.00000 111 2S -0.00029 -0.00046 0.00048 0.00000 0.00001 112 11 H 1S -0.00001 -0.00002 0.00000 0.00017 0.00023 113 2S -0.00030 -0.00051 0.00040 -0.00041 -0.00064 114 12 H 1S 0.00003 0.00004 -0.00003 0.00000 -0.00000 115 2S -0.00070 -0.00029 -0.00009 -0.00038 -0.00005 116 13 C 1S 0.00012 -0.00000 0.00008 0.00000 -0.00000 117 2S -0.00008 0.00000 -0.00010 0.00000 -0.00003 118 2PX 0.00003 -0.00001 0.00001 0.00003 -0.00001 119 2PY -0.00005 -0.00000 -0.00002 0.00002 0.00000 120 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 121 3S 0.00139 -0.00004 0.00142 -0.00001 0.00059 122 3PX -0.00094 -0.00015 -0.00061 -0.00061 0.00120 123 3PY 0.00161 -0.00015 0.00105 -0.00036 -0.00040 124 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 125 4XX -0.00000 0.00001 0.00001 0.00001 0.00002 126 4YY -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 127 4ZZ -0.00003 0.00000 -0.00004 0.00000 -0.00000 128 4XY 0.00001 -0.00001 0.00002 -0.00001 -0.00002 129 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 131 14 C 1S -0.00684 0.00021 -0.00482 -0.01006 0.01006 132 2S -0.00025 0.00002 -0.00021 -0.00070 0.00071 133 2PX 0.00004 -0.00001 0.00003 0.00010 -0.00007 134 2PY -0.00000 0.00003 -0.00002 -0.00013 0.00013 135 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 136 3S -0.00343 -0.00019 -0.00190 0.00274 -0.00259 137 3PX 0.00132 -0.00008 0.00094 -0.00116 0.00050 138 3PY -0.00045 -0.00045 0.00006 0.00037 -0.00027 139 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 140 4XX 0.00011 -0.00001 0.00009 0.00000 0.00001 141 4YY 0.00011 -0.00000 0.00007 -0.00007 0.00009 142 4ZZ 0.00010 -0.00000 0.00006 0.00004 -0.00003 143 4XY -0.00001 0.00001 -0.00001 0.00004 -0.00003 144 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.02067 -0.00063 0.01463 0.40590 -0.40560 147 2S 0.00049 -0.00004 0.00038 0.02040 -0.02037 148 2PX 0.00028 0.00001 0.00019 -0.00009 0.00009 149 2PY 0.00003 -0.00001 0.00003 -0.00013 0.00014 150 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 151 3S 0.00735 0.00013 0.00457 -0.00639 0.00598 152 3PX -0.00274 0.00018 -0.00186 0.00064 -0.00058 153 3PY -0.00214 -0.00008 -0.00128 0.00117 -0.00090 154 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 155 4XX -0.00053 0.00002 -0.00039 -0.00377 0.00378 156 4YY -0.00039 0.00002 -0.00027 -0.00382 0.00381 157 4ZZ -0.00037 0.00001 -0.00026 -0.00392 0.00392 158 4XY 0.00003 -0.00001 0.00003 -0.00006 0.00006 159 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.80966 -0.02464 0.57277 -0.00004 -0.00011 162 2S 0.04068 -0.00124 0.02874 -0.00000 -0.00001 163 2PX 0.00015 -0.00002 0.00010 -0.00018 0.00018 164 2PY -0.00025 0.00000 -0.00018 -0.00010 0.00010 165 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 166 3S -0.01586 0.00048 -0.01074 0.00001 0.00020 167 3PX -0.00221 0.00010 -0.00139 0.00098 -0.00093 168 3PY 0.00383 -0.00010 0.00241 0.00056 -0.00070 169 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 170 4XX -0.00752 0.00022 -0.00531 -0.00006 0.00005 171 4YY -0.00756 0.00023 -0.00534 0.00006 -0.00006 172 4ZZ -0.00778 0.00024 -0.00552 0.00000 0.00000 173 4XY 0.00004 0.00000 0.00003 0.00004 -0.00004 174 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.02067 -0.00063 0.01463 -0.40446 0.40988 177 2S 0.00049 0.00001 0.00038 -0.02033 0.02061 178 2PX -0.00017 0.00000 -0.00012 -0.00016 0.00015 179 2PY -0.00023 0.00003 -0.00015 -0.00001 0.00001 180 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 181 3S 0.00733 -0.00058 0.00457 0.00635 -0.00676 182 3PX 0.00322 -0.00018 0.00204 0.00132 -0.00145 183 3PY 0.00131 0.00012 0.00097 -0.00004 0.00008 184 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 185 4XX -0.00041 0.00001 -0.00028 0.00384 -0.00389 186 4YY -0.00052 0.00000 -0.00038 0.00373 -0.00378 187 4ZZ -0.00037 0.00002 -0.00026 0.00390 -0.00395 188 4XY -0.00006 0.00000 -0.00005 0.00000 -0.00000 189 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 191 18 C 1S -0.00684 0.00021 -0.00482 0.01003 -0.01017 192 2S -0.00025 -0.00001 -0.00021 0.00070 -0.00071 193 2PX -0.00002 0.00002 0.00000 -0.00006 0.00008 194 2PY -0.00004 -0.00002 -0.00004 0.00015 -0.00015 195 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 196 3S -0.00341 0.00040 -0.00190 -0.00272 0.00315 197 3PX -0.00030 -0.00041 -0.00052 -0.00026 0.00026 198 3PY -0.00135 0.00024 -0.00078 -0.00118 0.00141 199 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 200 4XX 0.00010 -0.00001 0.00006 0.00002 -0.00004 201 4YY 0.00011 0.00001 0.00009 0.00004 -0.00004 202 4ZZ 0.00010 -0.00000 0.00006 -0.00004 0.00004 203 4XY -0.00000 -0.00000 -0.00000 -0.00005 0.00006 204 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.00005 0.00001 -0.00003 0.00000 0.00001 207 2S 0.00060 -0.00046 -0.00009 -0.00038 0.00036 208 20 H 1S 0.00002 0.00000 0.00000 0.00017 -0.00017 209 2S 0.00060 -0.00001 0.00040 -0.00041 0.00041 210 21 H 1S -0.00041 0.00001 -0.00028 0.00000 0.00001 211 2S 0.00054 -0.00002 0.00048 0.00000 0.00003 212 22 H 1S 0.00002 -0.00000 0.00000 -0.00017 0.00017 213 2S 0.00059 -0.00003 0.00040 0.00041 -0.00051 214 23 H 1S -0.00005 -0.00001 -0.00003 -0.00000 0.00000 215 2S 0.00063 0.00042 -0.00009 0.00038 0.00015 216 24 C 1S -0.00005 0.00010 0.00008 0.00000 0.00000 217 2S 0.00004 -0.00007 -0.00010 0.00000 0.00004 218 2PX -0.00002 0.00002 0.00001 -0.00003 0.00001 219 2PY -0.00002 0.00005 0.00002 0.00002 0.00001 220 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 221 3S -0.00066 0.00123 0.00142 -0.00001 -0.00080 222 3PX 0.00028 -0.00091 -0.00061 0.00062 -0.00092 223 3PY 0.00086 -0.00137 -0.00105 -0.00035 -0.00099 224 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 225 4XX 0.00001 0.00000 0.00001 -0.00001 -0.00001 226 4YY -0.00001 -0.00001 -0.00001 0.00001 -0.00001 227 4ZZ 0.00002 -0.00003 -0.00004 0.00000 0.00000 228 4XY 0.00001 -0.00000 -0.00002 -0.00001 -0.00002 229 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.00324 -0.00603 -0.00482 -0.01006 0.00369 232 2S 0.00011 -0.00022 -0.00021 -0.00070 0.00026 233 2PX 0.00003 -0.00000 0.00000 0.00007 -0.00003 234 2PY 0.00000 0.00004 0.00004 0.00015 -0.00007 235 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 236 3S 0.00188 -0.00287 -0.00190 0.00274 -0.00143 237 3PX -0.00023 -0.00045 -0.00052 0.00026 -0.00022 238 3PY -0.00082 0.00110 0.00078 -0.00119 0.00094 239 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 240 4XX -0.00006 0.00008 0.00006 -0.00002 0.00001 241 4YY -0.00004 0.00011 0.00009 -0.00004 0.00001 242 4ZZ -0.00005 0.00009 0.00006 0.00004 -0.00002 243 4XY -0.00000 0.00000 0.00000 -0.00005 0.00002 244 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 246 26 C 1S -0.00979 0.01821 0.01463 0.40590 -0.14901 247 2S -0.00021 0.00044 0.00038 0.02040 -0.00751 248 2PX 0.00008 -0.00015 -0.00012 0.00016 -0.00005 249 2PY -0.00013 0.00019 0.00015 -0.00001 0.00001 250 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 251 3S -0.00379 0.00630 0.00457 -0.00639 0.00283 252 3PX -0.00160 0.00280 0.00204 -0.00134 0.00072 253 3PY 0.00048 -0.00123 -0.00097 -0.00003 0.00010 254 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 255 4XX 0.00019 -0.00036 -0.00028 -0.00385 0.00142 256 4YY 0.00023 -0.00046 -0.00038 -0.00374 0.00138 257 4ZZ 0.00018 -0.00033 -0.00026 -0.00392 0.00143 258 4XY -0.00003 0.00005 0.00005 0.00000 0.00000 259 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 261 27 C 1S -0.38349 0.71350 0.57277 -0.00004 0.00022 262 2S -0.01927 0.03585 0.02874 -0.00000 0.00002 263 2PX -0.00008 0.00012 0.00010 0.00018 -0.00006 264 2PY -0.00011 0.00023 0.00018 -0.00010 0.00004 265 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 266 3S 0.00751 -0.01398 -0.01074 0.00001 -0.00030 267 3PX 0.00107 -0.00194 -0.00139 -0.00097 0.00025 268 3PY 0.00180 -0.00338 -0.00241 0.00057 -0.00038 269 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 270 4XX 0.00356 -0.00663 -0.00531 0.00006 -0.00002 271 4YY 0.00358 -0.00666 -0.00534 -0.00006 0.00002 272 4ZZ 0.00369 -0.00686 -0.00552 0.00000 -0.00000 273 4XY 0.00002 -0.00003 -0.00003 0.00004 -0.00001 274 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.00979 0.01821 0.01463 -0.40446 0.14053 277 2S -0.00025 0.00042 0.00038 -0.02033 0.00704 278 2PX -0.00012 0.00026 0.00019 0.00009 -0.00003 279 2PY 0.00002 -0.00002 -0.00003 -0.00013 0.00005 280 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 281 3S -0.00316 0.00664 0.00457 0.00635 -0.00169 282 3PX 0.00138 -0.00237 -0.00186 -0.00063 0.00016 283 3PY -0.00088 0.00195 0.00128 0.00116 -0.00011 284 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 285 4XX 0.00026 -0.00047 -0.00039 0.00376 -0.00131 286 4YY 0.00019 -0.00034 -0.00027 0.00381 -0.00131 287 4ZZ 0.00017 -0.00033 -0.00026 0.00390 -0.00136 288 4XY 0.00002 -0.00002 -0.00003 -0.00006 0.00002 289 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00324 -0.00603 -0.00482 0.01003 -0.00349 292 2S 0.00013 -0.00021 -0.00021 0.00070 -0.00025 293 2PX -0.00003 0.00003 0.00003 -0.00010 0.00001 294 2PY -0.00003 -0.00001 0.00002 -0.00013 0.00004 295 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 296 3S 0.00136 -0.00315 -0.00190 -0.00272 0.00061 297 3PX -0.00066 0.00115 0.00094 0.00115 0.00027 298 3PY 0.00020 0.00060 -0.00006 0.00037 0.00002 299 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 300 4XX -0.00006 0.00009 0.00009 -0.00000 -0.00001 301 4YY -0.00005 0.00010 0.00007 0.00007 -0.00003 302 4ZZ -0.00005 0.00009 0.00006 -0.00004 0.00001 303 4XY -0.00001 0.00000 0.00001 0.00004 -0.00001 304 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.00002 -0.00005 -0.00003 0.00000 -0.00001 307 2S 0.00009 0.00075 -0.00009 -0.00038 -0.00031 308 31 H 1S -0.00001 0.00001 0.00000 0.00017 -0.00006 309 2S -0.00029 0.00052 0.00040 -0.00041 0.00023 310 32 H 1S 0.00019 -0.00036 -0.00028 0.00000 -0.00001 311 2S -0.00026 0.00048 0.00048 0.00000 -0.00005 312 33 H 1S -0.00001 0.00002 0.00000 -0.00017 0.00006 313 2S -0.00027 0.00053 0.00040 0.00041 -0.00010 314 34 H 1S 0.00003 -0.00004 -0.00003 -0.00000 -0.00001 315 2S -0.00068 0.00034 -0.00009 0.00038 -0.00039 16 17 18 19 20 (E')--O (E')--O (E')--O (A')--O (A')--O Eigenvalues -- -10.32404 -10.32402 -10.32402 -10.32402 -1.01171 1 1 C 1S -0.00000 -0.00000 -0.00000 -0.00001 -0.07614 2 2S 0.00000 -0.00000 -0.00000 -0.00001 0.15474 3 2PX -0.00006 0.00005 0.00004 -0.00000 -0.00000 4 2PY 0.00002 -0.00004 0.00005 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.00000 -0.00000 -0.00000 -0.00246 0.09870 7 3PX 0.00187 0.00138 0.00108 -0.00000 -0.00000 8 3PY -0.00052 -0.00108 0.00138 0.00000 -0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00001 0.00002 0.00002 -0.00005 0.00327 11 4YY -0.00001 -0.00002 -0.00002 -0.00005 0.00327 12 4ZZ 0.00000 -0.00000 -0.00000 -0.00003 -0.00834 13 4XY 0.00000 0.00002 -0.00003 -0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00014 -0.00011 0.00012 -0.07265 17 2S 0.00004 -0.00019 -0.00015 0.00020 0.14477 18 2PX -0.00001 -0.00005 -0.00004 0.00001 0.00431 19 2PY -0.00000 -0.00001 0.00001 0.00000 -0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S -0.00080 0.00392 0.00306 -0.00371 0.07123 22 3PX 0.00131 0.00416 0.00326 -0.00285 -0.00799 23 3PY 0.00031 0.00007 -0.00009 -0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX -0.00003 -0.00001 -0.00001 0.00003 0.00488 26 4YY 0.00000 -0.00006 -0.00004 0.00004 0.00024 27 4ZZ 0.00000 -0.00005 -0.00004 0.00006 -0.00764 28 4XY -0.00001 -0.00000 0.00000 -0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00386 0.01091 0.00866 -0.00984 -0.05401 32 2S 0.00027 0.00097 0.00077 -0.00088 0.10282 33 2PX 0.00008 0.00023 0.00013 -0.00016 -0.00047 34 2PY -0.00001 -0.00006 -0.00001 0.00002 -0.02739 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -0.00147 -0.00696 -0.00527 0.00576 0.07083 37 3PX -0.00072 -0.00261 -0.00148 0.00160 -0.00239 38 3PY 0.00066 0.00306 0.00207 -0.00216 -0.01129 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX 0.00003 0.00007 0.00008 -0.00009 0.00174 41 4YY -0.00001 0.00001 0.00001 -0.00002 0.00263 42 4ZZ -0.00002 0.00002 0.00003 -0.00003 -0.00627 43 4XY 0.00001 0.00002 0.00001 -0.00001 0.00139 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.15551 -0.44927 -0.35683 0.40566 -0.04006 47 2S -0.00784 -0.02273 -0.01801 0.02046 0.07653 48 2PX 0.00002 0.00009 0.00009 -0.00010 -0.01833 49 2PY 0.00005 0.00013 0.00010 -0.00011 -0.02159 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00293 0.01206 0.00906 -0.00993 0.04346 52 3PX -0.00045 -0.00209 -0.00131 0.00145 -0.00286 53 3PY -0.00059 -0.00353 -0.00266 0.00280 0.00208 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.00145 0.00415 0.00328 -0.00373 0.00187 56 4YY 0.00147 0.00413 0.00328 -0.00373 0.00110 57 4ZZ 0.00149 0.00428 0.00341 -0.00388 -0.00457 58 4XY 0.00002 0.00008 0.00005 -0.00006 -0.00001 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00019 0.02365 0.01851 -0.02124 -0.03639 62 2S 0.00002 0.00181 0.00141 -0.00160 0.06977 63 2PX -0.00000 -0.00022 -0.00017 0.00020 -0.02818 64 2PY 0.00008 -0.00001 0.00001 -0.00000 -0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.00028 -0.00922 -0.00722 0.00777 0.04880 67 3PX 0.00020 0.00447 0.00350 -0.00367 -0.00511 68 3PY -0.00043 0.00006 -0.00008 0.00000 -0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 -0.00001 0.00158 71 4YY 0.00000 0.00019 0.00015 -0.00018 0.00104 72 4ZZ -0.00000 -0.00003 -0.00002 0.00003 -0.00414 73 4XY -0.00003 0.00000 -0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.14814 -0.45267 -0.34907 0.40422 -0.04006 77 2S 0.00742 -0.02286 -0.01767 0.02039 0.07653 78 2PX -0.00003 0.00011 0.00007 -0.00010 -0.01833 79 2PY 0.00006 -0.00013 -0.00010 0.00011 0.02159 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S -0.00181 0.01166 0.00951 -0.00990 0.04346 82 3PX 0.00003 -0.00177 -0.00171 0.00145 -0.00286 83 3PY -0.00022 0.00343 0.00278 -0.00279 -0.00208 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX -0.00137 0.00417 0.00323 -0.00372 0.00187 86 4YY -0.00140 0.00416 0.00321 -0.00372 0.00110 87 4ZZ -0.00144 0.00432 0.00332 -0.00387 -0.00457 88 4XY 0.00001 -0.00007 -0.00006 0.00006 0.00001 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.00368 0.01099 0.00847 -0.00981 -0.05401 92 2S -0.00026 0.00098 0.00075 -0.00087 0.10282 93 2PX -0.00004 0.00018 0.00019 -0.00016 -0.00047 94 2PY 0.00001 0.00003 0.00005 -0.00002 0.02739 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00067 -0.00678 -0.00548 0.00575 0.07083 97 3PX -0.00013 -0.00206 -0.00218 0.00160 -0.00239 98 3PY -0.00021 -0.00274 -0.00247 0.00215 0.01129 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX -0.00003 0.00010 0.00005 -0.00009 0.00174 101 4YY -0.00001 0.00001 0.00000 -0.00002 0.00263 102 4ZZ 0.00001 0.00003 0.00001 -0.00004 -0.00627 103 4XY 0.00001 -0.00002 -0.00001 0.00001 -0.00139 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S -0.00001 -0.00007 -0.00005 0.00007 0.02807 107 2S -0.00031 -0.00075 -0.00101 0.00045 0.00698 108 9 H 1S -0.00006 0.00024 0.00019 -0.00021 0.01371 109 2S 0.00024 -0.00005 0.00005 0.00013 -0.00049 110 10 H 1S -0.00001 -0.00007 -0.00005 0.00005 0.01193 111 2S -0.00004 -0.00088 -0.00069 0.00071 0.00045 112 11 H 1S 0.00006 0.00024 0.00019 -0.00021 0.01371 113 2S -0.00011 0.00003 -0.00006 0.00013 -0.00049 114 12 H 1S -0.00001 -0.00007 -0.00006 0.00007 0.02807 115 2S -0.00039 -0.00116 -0.00049 0.00045 0.00698 116 13 C 1S -0.00000 0.00016 -0.00006 0.00012 -0.07265 117 2S -0.00003 0.00022 -0.00009 0.00020 0.14477 118 2PX 0.00001 -0.00003 0.00002 -0.00000 -0.00215 119 2PY 0.00001 0.00005 -0.00002 0.00000 0.00373 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 0.00058 -0.00461 0.00186 -0.00371 0.07123 122 3PX -0.00023 0.00241 -0.00108 0.00142 0.00400 123 3PY -0.00126 -0.00426 0.00165 -0.00247 -0.00692 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.00001 0.00005 -0.00002 0.00003 0.00140 126 4YY 0.00003 0.00003 -0.00001 0.00003 0.00372 127 4ZZ -0.00000 0.00006 -0.00003 0.00006 -0.00764 128 4XY -0.00000 0.00003 -0.00001 0.00000 -0.00232 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S -0.01007 -0.01283 0.00528 -0.00981 -0.05401 132 2S -0.00071 -0.00114 0.00047 -0.00087 0.10282 133 2PX 0.00009 0.00018 -0.00003 0.00010 -0.02348 134 2PY -0.00014 -0.00019 0.00006 -0.00013 -0.01410 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00314 0.00814 -0.00313 0.00575 0.07083 137 3PX -0.00135 -0.00450 0.00133 -0.00266 -0.00858 138 3PY 0.00048 0.00077 -0.00003 0.00031 -0.00771 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00001 -0.00002 0.00001 -0.00002 0.00137 141 4YY -0.00008 -0.00009 0.00005 -0.00009 0.00301 142 4ZZ 0.00004 -0.00003 0.00002 -0.00004 -0.00627 143 4XY 0.00003 0.00003 -0.00002 0.00003 0.00114 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.40624 0.52864 -0.21748 0.40422 -0.04006 147 2S 0.02043 0.02673 -0.01097 0.02039 0.07653 148 2PX -0.00009 -0.00008 0.00002 -0.00005 -0.00953 149 2PY -0.00013 -0.00018 0.00008 -0.00014 -0.02667 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.00672 -0.01407 0.00535 -0.00990 0.04346 152 3PX 0.00065 0.00239 -0.00103 0.00169 0.00323 153 3PY 0.00130 0.00411 -0.00137 0.00265 -0.00143 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX -0.00378 -0.00480 0.00198 -0.00367 0.00130 156 4YY -0.00383 -0.00494 0.00202 -0.00376 0.00167 157 4ZZ -0.00392 -0.00504 0.00208 -0.00387 -0.00457 158 4XY -0.00006 -0.00003 0.00002 -0.00003 -0.00040 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.00019 -0.02785 0.01123 -0.02124 -0.03639 162 2S -0.00002 -0.00213 0.00086 -0.00160 0.06977 163 2PX -0.00018 -0.00012 0.00007 -0.00010 0.01409 164 2PY -0.00010 0.00023 -0.00008 0.00018 -0.02441 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00023 0.01086 -0.00438 0.00777 0.04880 167 3PX 0.00106 0.00260 -0.00114 0.00183 0.00255 168 3PY 0.00043 -0.00458 0.00180 -0.00318 -0.00443 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX -0.00006 -0.00017 0.00007 -0.00013 0.00117 171 4YY 0.00005 -0.00006 0.00002 -0.00005 0.00144 172 4ZZ 0.00000 0.00004 -0.00001 0.00003 -0.00414 173 4XY 0.00004 -0.00011 0.00004 -0.00009 -0.00027 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.39891 0.53366 -0.21066 0.40566 -0.04006 177 2S -0.02003 0.02696 -0.01067 0.02046 0.07653 178 2PX -0.00016 0.00019 -0.00007 0.00015 0.02786 179 2PY -0.00001 -0.00003 -0.00000 -0.00003 -0.00508 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00585 -0.01388 0.00592 -0.00993 0.04346 182 3PX 0.00104 -0.00461 0.00207 -0.00315 -0.00037 183 3PY 0.00005 -0.00015 -0.00014 -0.00014 -0.00351 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00378 -0.00497 0.00197 -0.00378 0.00128 186 4YY 0.00368 -0.00485 0.00192 -0.00368 0.00169 187 4ZZ 0.00385 -0.00509 0.00200 -0.00388 -0.00457 188 4XY 0.00001 0.00005 -0.00003 0.00003 -0.00038 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00990 -0.01295 0.00512 -0.00984 -0.05401 192 2S 0.00070 -0.00115 0.00045 -0.00088 0.10282 193 2PX -0.00008 0.00008 -0.00003 0.00006 0.02395 194 2PY 0.00012 -0.00022 0.00013 -0.00015 0.01329 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.00252 0.00805 -0.00339 0.00576 0.07083 197 3PX -0.00001 0.00159 -0.00063 0.00107 0.01097 198 3PY -0.00054 0.00390 -0.00213 0.00246 0.00357 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00004 -0.00005 0.00001 -0.00005 0.00345 201 4YY 0.00005 -0.00007 0.00001 -0.00006 0.00092 202 4ZZ -0.00003 -0.00003 0.00000 -0.00003 -0.00627 203 4XY -0.00005 0.00006 -0.00001 0.00005 -0.00025 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.00008 -0.00003 0.00007 0.02807 207 2S 0.00015 0.00101 -0.00076 0.00045 0.00698 208 20 H 1S 0.00017 -0.00028 0.00011 -0.00021 0.01371 209 2S -0.00050 0.00004 0.00006 0.00013 -0.00049 210 21 H 1S 0.00001 0.00008 -0.00003 0.00005 0.01193 211 2S 0.00003 0.00103 -0.00042 0.00071 0.00045 212 22 H 1S -0.00017 -0.00028 0.00012 -0.00021 0.01371 213 2S 0.00040 -0.00001 -0.00007 0.00013 -0.00049 214 23 H 1S 0.00001 0.00008 -0.00004 0.00007 0.02807 215 2S 0.00036 0.00125 -0.00015 0.00045 0.00698 216 24 C 1S -0.00000 -0.00002 0.00017 0.00012 -0.07265 217 2S -0.00001 -0.00003 0.00024 0.00020 0.14477 218 2PX 0.00001 0.00001 -0.00003 -0.00000 -0.00215 219 2PY -0.00001 0.00000 -0.00006 -0.00001 -0.00373 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S 0.00022 0.00069 -0.00492 -0.00371 0.07123 222 3PX -0.00082 -0.00047 0.00260 0.00142 0.00400 223 3PY 0.00086 -0.00059 0.00454 0.00247 0.00692 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX -0.00002 -0.00001 0.00005 0.00003 0.00140 226 4YY 0.00003 -0.00000 0.00003 0.00003 0.00372 227 4ZZ -0.00000 -0.00001 0.00007 0.00006 -0.00764 228 4XY -0.00001 0.00000 -0.00003 -0.00000 0.00232 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.01375 0.00185 -0.01375 -0.00981 -0.05401 232 2S 0.00097 0.00016 -0.00122 -0.00087 0.10282 233 2PX -0.00010 -0.00001 0.00008 0.00006 0.02395 234 2PY -0.00018 -0.00008 0.00024 0.00015 -0.01329 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -0.00381 -0.00136 0.00861 0.00575 0.07083 237 3PX -0.00014 -0.00023 0.00169 0.00107 0.01097 238 3PY 0.00120 0.00113 -0.00429 -0.00246 -0.00357 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.00006 -0.00000 -0.00005 -0.00005 0.00345 241 4YY 0.00006 -0.00001 -0.00007 -0.00006 0.00092 242 4ZZ -0.00005 -0.00001 -0.00003 -0.00004 -0.00627 243 4XY 0.00008 -0.00000 -0.00006 -0.00005 0.00025 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S -0.55438 -0.07597 0.56656 0.40422 -0.04006 247 2S -0.02786 -0.00387 0.02863 0.02039 0.07653 248 2PX -0.00022 -0.00002 0.00021 0.00015 0.02786 249 2PY 0.00001 0.00001 0.00003 0.00003 0.00508 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00854 0.00241 -0.01486 -0.00990 0.04346 252 3PX 0.00165 0.00090 -0.00497 -0.00314 -0.00037 253 3PY -0.00000 0.00017 0.00011 0.00014 0.00351 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00526 0.00071 -0.00528 -0.00376 0.00128 256 4YY 0.00511 0.00070 -0.00515 -0.00367 0.00169 257 4ZZ 0.00535 0.00072 -0.00540 -0.00387 -0.00457 258 4XY -0.00001 0.00002 -0.00005 -0.00003 0.00038 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S -0.00000 0.00420 -0.02974 -0.02124 -0.03639 262 2S -0.00000 0.00032 -0.00227 -0.00160 0.06977 263 2PX -0.00024 0.00003 -0.00014 -0.00010 0.01409 264 2PY 0.00014 0.00003 -0.00024 -0.00018 0.02441 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.00005 -0.00164 0.01160 0.00777 0.04880 267 3PX 0.00138 -0.00048 0.00280 0.00184 0.00255 268 3PY -0.00075 -0.00064 0.00488 0.00318 0.00443 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX -0.00008 0.00003 -0.00018 -0.00013 0.00117 271 4YY 0.00008 0.00001 -0.00006 -0.00005 0.00144 272 4ZZ 0.00000 -0.00001 0.00004 0.00003 -0.00414 273 4XY -0.00005 -0.00002 0.00012 0.00009 0.00027 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.55442 -0.08440 0.56749 0.40566 -0.04006 277 2S 0.02787 -0.00424 0.02869 0.02046 0.07653 278 2PX -0.00012 0.00000 -0.00008 -0.00005 -0.00953 279 2PY 0.00018 -0.00004 0.00019 0.00014 0.02667 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.00878 0.00181 -0.01497 -0.00993 0.04346 282 3PX 0.00085 -0.00043 0.00257 0.00170 0.00323 283 3PY -0.00156 0.00035 -0.00432 -0.00266 0.00143 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.00516 0.00077 -0.00515 -0.00368 0.00130 286 4YY -0.00522 0.00077 -0.00530 -0.00378 0.00167 287 4ZZ -0.00535 0.00081 -0.00541 -0.00388 -0.00457 288 4XY 0.00008 -0.00001 0.00004 0.00003 0.00040 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.01375 0.00205 -0.01378 -0.00984 -0.05401 292 2S -0.00096 0.00018 -0.00123 -0.00088 0.10282 293 2PX 0.00011 0.00001 0.00018 0.00010 -0.02348 294 2PY 0.00019 -0.00001 0.00020 0.00013 0.01410 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S 0.00399 -0.00108 0.00866 0.00576 0.07083 297 3PX -0.00140 0.00022 -0.00469 -0.00267 -0.00858 298 3PY -0.00055 -0.00016 -0.00076 -0.00031 0.00771 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.00000 0.00001 -0.00002 -0.00002 0.00137 301 4YY -0.00011 0.00003 -0.00010 -0.00009 0.00300 302 4ZZ 0.00006 0.00001 -0.00003 -0.00003 -0.00627 303 4XY -0.00004 0.00002 -0.00004 -0.00003 -0.00114 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.00000 -0.00002 0.00009 0.00007 0.02807 307 2S 0.00023 0.00016 0.00125 0.00045 0.00698 308 31 H 1S -0.00023 0.00004 -0.00030 -0.00021 0.01371 309 2S 0.00061 -0.00007 0.00001 0.00013 -0.00049 310 32 H 1S 0.00000 -0.00001 0.00009 0.00005 0.01193 311 2S 0.00001 -0.00016 0.00110 0.00071 0.00045 312 33 H 1S 0.00023 0.00004 -0.00030 -0.00021 0.01371 313 2S -0.00064 0.00007 0.00002 0.00013 -0.00049 314 34 H 1S -0.00000 -0.00001 0.00009 0.00007 0.02807 315 2S -0.00006 -0.00050 0.00116 0.00045 0.00698 21 22 23 24 25 (E')--O (E')--O (A')--O (E')--O (E')--O Eigenvalues -- -0.99307 -0.99307 -0.94061 -0.89716 -0.89716 1 1 C 1S -0.00000 0.00000 -0.11182 -0.00000 0.00000 2 2S -0.00000 0.00000 0.23244 0.00000 -0.00000 3 2PX 0.04002 -0.00425 0.00000 0.01255 -0.07107 4 2PY 0.00425 0.04002 -0.00000 0.07107 0.01255 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 -0.00000 0.16236 -0.00000 0.00000 7 3PX 0.01417 -0.00151 0.00000 0.00214 -0.01212 8 3PY 0.00151 0.01417 0.00000 0.01212 0.00214 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00343 -0.00036 0.00211 0.00041 -0.00234 11 4YY -0.00343 0.00036 0.00211 -0.00041 0.00234 12 4ZZ -0.00000 0.00000 -0.01138 0.00000 -0.00000 13 4XY -0.00042 -0.00396 -0.00000 -0.00270 -0.00048 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.07168 0.00761 -0.05571 -0.01130 0.06401 17 2S 0.14364 -0.01526 0.11169 0.02285 -0.12939 18 2PX 0.05498 -0.00584 -0.06280 0.00221 -0.01254 19 2PY 0.00102 0.00961 -0.00000 0.07674 0.01355 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S 0.06023 -0.00640 0.07874 0.01666 -0.09438 22 3PX -0.00422 0.00045 -0.01396 -0.00087 0.00493 23 3PY -0.00103 -0.00970 0.00000 0.00618 0.00109 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX 0.00147 -0.00016 0.00522 -0.00006 0.00034 26 4YY 0.00175 -0.00019 -0.00253 0.00021 -0.00121 27 4ZZ -0.00763 0.00081 -0.00548 -0.00109 0.00620 28 4XY -0.00003 -0.00029 0.00000 0.00521 0.00092 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.07812 0.00307 0.00465 -0.07851 0.01687 32 2S 0.14923 -0.00642 -0.00833 0.15548 -0.03327 33 2PX 0.02413 -0.00513 -0.05247 0.01580 0.05252 34 2PY -0.03816 0.00621 -0.01126 0.01815 0.02435 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.10438 0.00156 -0.00492 0.10963 -0.02756 37 3PX 0.00106 -0.00664 -0.00926 -0.01468 0.00802 38 3PY -0.02038 0.00056 0.00145 0.00435 0.00249 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX 0.00265 0.00002 -0.00185 0.00222 0.00338 41 4YY 0.00333 -0.00038 0.00190 0.00011 -0.00387 42 4ZZ -0.00900 0.00030 0.00070 -0.00778 0.00172 43 4XY 0.00089 -0.00020 0.00325 -0.00043 -0.00304 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.07687 0.00628 0.05118 -0.05393 -0.04793 47 2S 0.14735 -0.01200 -0.09902 0.10565 0.09398 48 2PX -0.02514 0.00071 -0.00946 -0.04633 0.02957 49 2PY -0.04374 0.00506 0.03417 0.01580 -0.03321 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.08591 -0.00551 -0.06465 0.08387 0.06886 52 3PX -0.00389 -0.00221 -0.00111 -0.01346 0.00372 53 3PY 0.00373 0.00142 0.00155 0.01051 -0.00195 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.00248 -0.00001 0.00079 0.00468 -0.00212 56 4YY 0.00266 -0.00036 -0.00324 -0.00234 0.00369 57 4ZZ -0.00861 0.00072 0.00545 -0.00537 -0.00478 58 4XY -0.00042 0.00003 0.00158 0.00108 -0.00232 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S -0.07572 0.00804 0.06637 0.01212 -0.06866 62 2S 0.14583 -0.01549 -0.12971 -0.02405 0.13621 63 2PX -0.05410 0.00575 0.03413 0.00387 -0.02194 64 2PY 0.00013 0.00118 0.00000 0.05512 0.00973 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.10279 -0.01092 -0.09109 -0.01726 0.09778 67 3PX -0.00978 0.00104 0.00326 -0.00045 0.00258 68 3PY 0.00024 0.00225 -0.00000 0.01408 0.00249 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX 0.00294 -0.00031 -0.00164 -0.00019 0.00106 71 4YY 0.00210 -0.00022 -0.00156 -0.00021 0.00118 72 4ZZ -0.00845 0.00090 0.00698 0.00119 -0.00676 73 4XY -0.00002 -0.00019 -0.00000 -0.00576 -0.00102 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.07648 0.01001 0.05118 0.06709 -0.02657 77 2S 0.14658 -0.01923 -0.09902 -0.13145 0.05212 78 2PX -0.02473 0.00459 -0.00946 0.03340 0.04365 79 2PY 0.04383 -0.00425 -0.03417 0.00348 0.03661 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.08515 -0.01266 -0.06465 -0.10238 0.03597 82 3PX -0.00334 0.00297 -0.00111 0.01137 0.00811 83 3PY -0.00334 0.00217 -0.00155 0.00920 0.00543 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.00243 -0.00051 0.00079 -0.00367 -0.00359 86 4YY 0.00267 -0.00021 -0.00324 0.00093 0.00427 87 4ZZ -0.00857 0.00111 0.00545 0.00668 -0.00266 88 4XY 0.00041 -0.00006 -0.00158 0.00022 0.00255 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.07702 0.01341 0.00465 0.06799 0.04273 92 2S 0.14725 -0.02508 -0.00833 -0.13469 -0.08450 93 2PX 0.02467 -0.00006 -0.05247 -0.03283 0.04394 94 2PY 0.03861 -0.00195 0.01126 0.02539 -0.01667 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.10172 -0.02346 -0.00492 -0.09356 -0.06343 97 3PX 0.00243 0.00627 -0.00926 0.01104 0.01256 98 3PY 0.02005 -0.00373 -0.00144 0.00494 -0.00085 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.00259 -0.00058 -0.00185 -0.00324 0.00242 101 4YY 0.00333 -0.00033 0.00190 0.00123 -0.00368 102 4ZZ -0.00887 0.00160 0.00070 0.00672 0.00428 103 4XY -0.00091 -0.00001 -0.00325 -0.00145 0.00271 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.03104 -0.01140 0.00103 -0.05866 -0.03724 107 2S 0.01236 -0.00114 -0.00087 -0.01553 -0.00871 108 9 H 1S 0.02751 -0.00374 -0.02218 -0.03774 0.01270 109 2S -0.00078 0.00008 -0.00191 -0.00469 0.00168 110 10 H 1S 0.02672 -0.00284 -0.02905 -0.00639 0.03617 111 2S 0.00155 -0.00016 -0.00249 -0.00065 0.00368 112 11 H 1S 0.02768 -0.00213 -0.02218 0.03111 0.02485 113 2S -0.00078 0.00009 -0.00191 0.00383 0.00318 114 12 H 1S 0.03275 0.00463 0.00103 0.06786 -0.01491 115 2S 0.01232 -0.00149 -0.00087 0.01757 -0.00286 116 13 C 1S 0.02924 -0.06588 -0.05571 -0.04978 -0.04179 117 2S -0.05860 0.13203 0.11169 0.10064 0.08448 118 2PX 0.01887 -0.02187 0.03140 0.03851 -0.05578 119 2PY -0.01501 0.04573 -0.05439 0.03350 -0.02275 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S -0.02457 0.05536 0.07874 0.07341 0.06162 122 3PX -0.00858 -0.00149 0.00698 0.00541 -0.00255 123 3PY -0.00297 -0.00533 -0.01209 -0.00130 -0.00519 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.00048 0.00163 -0.00060 -0.00191 0.00358 126 4YY -0.00083 0.00133 0.00328 0.00259 -0.00301 127 4ZZ 0.00311 -0.00702 -0.00548 -0.00482 -0.00405 128 4XY -0.00019 0.00007 -0.00388 0.00230 -0.00152 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.02689 -0.07341 0.00465 -0.07100 0.03751 132 2S -0.05191 0.14006 -0.00833 0.14052 -0.07439 133 2PX 0.02140 -0.04050 0.01649 0.00931 -0.00106 134 2PY -0.00183 0.00133 -0.05107 -0.01960 -0.05881 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -0.03055 0.09982 -0.00492 0.10172 -0.04931 137 3PX 0.00921 -0.01614 0.00588 0.00970 -0.00571 138 3PY -0.00236 -0.01050 -0.00730 -0.01334 0.00049 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX -0.00089 0.00233 -0.00147 0.00060 -0.00079 141 4YY -0.00129 0.00325 0.00152 0.00150 -0.00033 142 4ZZ 0.00305 -0.00848 0.00070 -0.00707 0.00368 143 4XY -0.00052 0.00065 0.00350 0.00233 0.00476 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.02957 -0.07124 0.05118 -0.01054 0.07138 147 2S -0.05664 0.13655 -0.09902 0.02059 -0.13990 148 2PX 0.01160 -0.02285 0.03432 0.05621 0.00969 149 2PY 0.01638 -0.04057 0.00890 -0.03048 0.01380 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.03161 0.08007 -0.06465 0.02003 -0.10665 152 3PX 0.00064 0.00564 0.00189 0.01441 -0.00745 153 3PY -0.00068 -0.00180 -0.00019 -0.00636 0.00239 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX -0.00118 0.00269 -0.00342 -0.00363 -0.00215 156 4YY -0.00075 0.00209 0.00096 0.00440 -0.00056 157 4ZZ 0.00332 -0.00798 0.00545 -0.00104 0.00712 158 4XY -0.00011 -0.00017 -0.00123 -0.00340 0.00057 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.03089 -0.06959 0.06637 0.05340 0.04483 162 2S -0.05950 0.13404 -0.12971 -0.10593 -0.08893 163 2PX -0.01010 0.02528 -0.01707 0.02263 -0.04429 164 2PY 0.01966 -0.04283 0.02956 0.03277 -0.00903 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.04194 0.09448 -0.09109 -0.07605 -0.06384 167 3PX -0.00021 0.00529 -0.00163 0.00897 -0.00864 168 3PY 0.00449 -0.00733 0.00282 0.00286 -0.00693 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX -0.00082 0.00218 -0.00158 0.00193 -0.00411 171 4YY -0.00124 0.00246 -0.00162 -0.00367 0.00265 172 4ZZ 0.00345 -0.00777 0.00698 0.00526 0.00442 173 4XY 0.00009 -0.00042 0.00004 -0.00193 0.00220 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.03300 -0.06971 0.05118 0.06848 -0.02274 177 2S -0.06328 0.13361 -0.09902 -0.13422 0.04451 178 2PX -0.02112 0.04606 -0.02486 -0.01684 0.00122 179 2PY 0.00161 0.00104 -0.02528 -0.01254 -0.06270 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -0.03818 0.07715 -0.06465 -0.10157 0.03821 182 3PX 0.00075 -0.00105 -0.00078 0.00134 -0.00196 183 3PY 0.00489 -0.00322 -0.00173 0.00482 -0.01674 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.00094 0.00212 -0.00105 -0.00055 -0.00006 186 4YY -0.00132 0.00252 -0.00140 -0.00199 0.00129 187 4ZZ 0.00368 -0.00782 0.00545 0.00683 -0.00226 188 4XY 0.00002 0.00035 -0.00280 -0.00149 -0.00554 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.03640 -0.06919 0.00465 0.02465 -0.07643 192 2S -0.06905 0.13245 -0.00833 -0.04893 0.15128 193 2PX -0.00805 0.01957 0.03599 0.05282 0.00322 194 2PY -0.01346 0.03840 -0.03981 -0.03115 -0.01266 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.05354 0.08961 -0.00492 -0.03095 0.10872 197 3PX -0.01101 0.01341 0.00338 0.00355 0.00618 198 3PY -0.00033 0.01264 -0.00874 0.00250 -0.01574 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX -0.00154 0.00353 0.00340 0.00360 0.00244 201 4YY -0.00114 0.00184 -0.00335 -0.00434 -0.00018 202 4ZZ 0.00424 -0.00795 0.00070 0.00240 -0.00760 203 4XY 0.00014 -0.00004 0.00025 0.00224 0.00033 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.02038 0.02605 0.00103 -0.02102 0.06623 207 2S -0.00488 0.01142 -0.00087 -0.00631 0.01665 208 20 H 1S -0.01200 0.02504 -0.02218 -0.03708 0.01451 209 2S 0.00031 -0.00072 -0.00191 -0.00467 0.00172 210 21 H 1S -0.01090 0.02456 -0.02905 -0.02813 -0.02361 211 2S -0.00063 0.00142 -0.00249 -0.00287 -0.00241 212 22 H 1S -0.01052 0.02569 -0.02218 0.00787 -0.03903 213 2S 0.00033 -0.00072 -0.00191 0.00089 -0.00490 214 23 H 1S -0.00565 0.03259 0.00103 0.06158 -0.03218 215 2S -0.00520 0.01127 -0.00087 0.01531 -0.00910 216 24 C 1S 0.04243 0.05827 -0.05571 0.06108 -0.02222 217 2S -0.08504 -0.11677 0.11169 -0.12348 0.04491 218 2PX 0.02304 0.01742 0.03140 -0.01708 -0.06560 219 2PY 0.02428 0.04155 0.05439 0.02368 0.03285 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.03565 -0.04896 0.07874 -0.09007 0.03276 222 3PX -0.00808 0.00326 0.00698 -0.00421 -0.00425 223 3PY 0.00178 -0.00584 0.01209 -0.00300 0.00443 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX -0.00082 -0.00150 -0.00060 0.00057 0.00402 226 4YY -0.00109 -0.00112 0.00328 -0.00140 -0.00371 227 4ZZ 0.00452 0.00621 -0.00548 0.00592 -0.00215 228 4XY 0.00020 0.00003 0.00388 0.00164 0.00222 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.05012 0.05999 0.00465 0.00301 -0.08025 232 2S -0.09534 -0.11498 -0.00833 -0.00583 0.15889 233 2PX -0.01198 -0.01745 0.03599 -0.05073 -0.01506 234 2PY 0.02122 0.03471 0.03981 -0.03360 0.00123 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -0.07117 -0.07636 -0.00492 -0.00815 0.11274 237 3PX -0.01359 -0.01080 0.00338 -0.00546 0.00459 238 3PY 0.00298 0.01229 0.00874 -0.00304 0.01565 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX -0.00225 -0.00312 0.00340 -0.00422 0.00106 241 4YY -0.00150 -0.00156 -0.00335 0.00414 0.00132 242 4ZZ 0.00582 0.00688 0.00070 0.00035 -0.00796 243 4XY -0.00015 -0.00001 -0.00025 0.00222 0.00046 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.04691 0.06122 0.05118 -0.05655 -0.04482 247 2S -0.08994 -0.11733 -0.09902 0.11086 0.08778 248 2PX -0.03033 -0.04059 -0.02486 0.01540 0.00692 249 2PY -0.00135 0.00136 0.02528 -0.03326 0.05461 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.05354 -0.06741 -0.06465 0.08234 0.07068 252 3PX 0.00095 0.00086 -0.00078 -0.00058 -0.00230 253 3PY -0.00545 -0.00212 0.00173 -0.00120 0.01738 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX -0.00136 -0.00187 -0.00105 0.00053 0.00013 256 4YY -0.00182 -0.00218 -0.00140 0.00143 0.00189 257 4ZZ 0.00524 0.00687 0.00545 -0.00564 -0.00446 258 4XY 0.00006 0.00034 0.00280 -0.00330 0.00469 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.04482 0.06155 0.06637 -0.06553 0.02383 262 2S -0.08633 -0.11854 -0.12971 0.12998 -0.04728 263 2PX -0.01518 -0.02260 -0.01707 -0.00610 -0.04936 264 2PY -0.02822 -0.03774 -0.02956 0.02770 0.01970 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.06085 -0.08356 -0.09109 0.09332 -0.03394 267 3PX -0.00131 -0.00513 -0.00163 -0.00546 -0.01119 268 3PY -0.00593 -0.00622 -0.00282 0.00031 0.00749 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX -0.00126 -0.00196 -0.00158 -0.00041 -0.00452 271 4YY -0.00173 -0.00214 -0.00162 0.00254 0.00375 272 4ZZ 0.00500 0.00687 0.00698 -0.00646 0.00235 273 4XY -0.00017 -0.00040 -0.00004 -0.00106 -0.00273 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.04387 0.06343 0.05118 -0.01454 0.07067 277 2S -0.08407 -0.12160 -0.09902 0.02856 -0.13849 278 2PX 0.01614 0.01991 0.03432 -0.05614 -0.01014 279 2PY -0.02454 -0.03622 -0.00890 -0.02391 -0.02340 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.04773 -0.07164 -0.06465 0.01770 -0.10706 282 3PX -0.00056 -0.00565 0.00189 -0.01099 -0.01194 283 3PY 0.00029 -0.00190 0.00019 -0.00515 -0.00442 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.00172 -0.00239 -0.00342 0.00415 -0.00078 286 4YY -0.00117 -0.00188 0.00096 -0.00395 -0.00203 287 4ZZ 0.00493 0.00710 0.00545 -0.00146 0.00704 288 4XY 0.00008 -0.00019 0.00123 -0.00300 -0.00170 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.04172 0.06612 0.00465 0.05386 0.05956 292 2S -0.08018 -0.12603 -0.00833 -0.10655 -0.11801 293 2PX 0.02943 0.03510 0.01649 -0.00838 -0.00418 294 2PY 0.00207 0.00091 0.05107 -0.03856 0.04854 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -0.05084 -0.09117 -0.00492 -0.07868 -0.08116 297 3PX 0.01239 0.01384 0.00588 -0.00716 -0.00869 298 3PY 0.00010 -0.01076 0.00730 -0.01237 -0.00503 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX -0.00136 -0.00209 -0.00147 -0.00029 -0.00094 301 4YY -0.00194 -0.00290 0.00152 -0.00130 -0.00083 302 4ZZ 0.00476 0.00765 0.00070 0.00538 0.00587 303 4XY 0.00065 0.00053 -0.00350 0.00382 -0.00368 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.01237 -0.03067 0.00103 -0.04684 -0.05132 307 2S -0.00745 -0.00993 -0.00087 -0.01127 -0.01379 308 31 H 1S -0.01568 -0.02291 -0.02218 0.00597 -0.03937 309 2S 0.00047 0.00063 -0.00191 0.00084 -0.00491 310 32 H 1S -0.01582 -0.02172 -0.02905 0.03451 -0.01255 311 2S -0.00092 -0.00126 -0.00249 0.00352 -0.00128 312 33 H 1S -0.01699 -0.02196 -0.02218 0.02987 0.02633 313 2S 0.00046 0.00064 -0.00191 0.00380 0.00322 314 34 H 1S -0.02540 -0.02118 0.00103 -0.00293 0.06942 315 2S -0.00717 -0.01014 -0.00087 0.00023 0.01780 26 27 28 29 30 (E')--O (E')--O (A')--O (A')--O (E')--O Eigenvalues -- -0.88246 -0.88246 -0.87893 -0.82965 -0.75367 1 1 C 1S 0.00000 -0.00000 0.00000 -0.11176 0.00000 2 2S 0.00000 -0.00000 -0.00000 0.23958 0.00000 3 2PX 0.06583 -0.00023 0.00000 -0.00000 0.15054 4 2PY -0.00023 -0.06583 -0.00000 -0.00000 -0.02785 5 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 6 3S -0.00000 0.00000 -0.00000 0.19555 -0.00000 7 3PX 0.02183 -0.00007 -0.00000 0.00000 0.04453 8 3PY -0.00007 -0.02183 -0.00000 0.00000 -0.00824 9 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 10 4XX 0.00636 -0.00002 -0.00000 -0.00144 0.00398 11 4YY -0.00636 0.00002 -0.00000 -0.00144 -0.00398 12 4ZZ 0.00000 -0.00000 0.00000 -0.01005 0.00000 13 4XY 0.00003 0.00734 -0.00000 0.00000 0.00085 14 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.08639 0.00030 0.00000 -0.00155 -0.06593 17 2S 0.17566 -0.00060 -0.00000 0.00287 0.13991 18 2PX 0.03538 -0.00012 0.00000 -0.12216 -0.06095 19 2PY 0.00015 0.04273 0.05341 -0.00000 -0.01836 20 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 21 3S 0.13410 -0.00046 -0.00000 0.00597 0.11625 22 3PX 0.00935 -0.00003 -0.00000 -0.02809 -0.02417 23 3PY 0.00005 0.01308 0.00757 -0.00000 -0.00334 24 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 25 4XX -0.00079 0.00000 0.00000 0.00708 -0.00074 26 4YY 0.00105 -0.00000 -0.00000 -0.00688 -0.00412 27 4ZZ -0.00829 0.00003 -0.00000 -0.00014 -0.00506 28 4XY 0.00002 0.00643 0.00619 0.00000 -0.00017 29 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.04244 -0.05916 -0.06456 0.05204 0.04693 32 2S 0.08431 0.11804 0.12891 -0.10416 -0.09661 33 2PX -0.05042 0.03716 0.04234 -0.00276 -0.08503 34 2PY -0.04481 0.01750 0.01431 -0.00591 -0.06515 35 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 36 3S 0.06665 0.08458 0.09602 -0.08168 -0.08294 37 3PX -0.00577 0.00512 0.00185 0.00392 -0.01996 38 3PY 0.00118 0.00756 0.00620 -0.00340 -0.01604 39 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 40 4XX -0.00344 0.00258 0.00318 0.00349 -0.00014 41 4YY 0.00531 -0.00073 -0.00079 -0.00310 0.00103 42 4ZZ -0.00417 -0.00568 -0.00614 0.00504 0.00391 43 4XY 0.00445 -0.00079 -0.00035 0.00089 0.00342 44 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.03842 -0.05992 -0.06722 -0.00917 0.02179 47 2S -0.07543 0.11848 0.13296 0.01880 -0.04474 48 2PX -0.05147 -0.03391 -0.03698 0.07403 0.11359 49 2PY 0.03699 0.00861 0.00908 -0.04198 -0.07394 50 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 51 3S -0.06133 0.08496 0.09771 0.01675 -0.02022 52 3PX -0.00625 -0.00395 -0.00576 0.01402 0.02059 53 3PY 0.00333 0.00927 0.01113 -0.00952 -0.03326 54 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 55 4XX 0.00360 0.00324 0.00350 -0.00438 -0.00353 56 4YY -0.00490 -0.00141 -0.00161 0.00451 0.00467 57 4ZZ 0.00376 -0.00578 -0.00647 -0.00069 0.00194 58 4XY 0.00363 0.00079 0.00104 -0.00326 -0.00479 59 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.07963 -0.00027 -0.00000 -0.06844 -0.07647 62 2S -0.15911 0.00055 0.00000 0.13900 0.16024 63 2PX 0.01880 -0.00006 -0.00000 0.00335 0.04280 64 2PY 0.00020 0.05847 0.06693 0.00000 0.01487 65 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 66 3S -0.11568 0.00040 0.00000 0.10392 0.11056 67 3PX -0.00767 0.00003 0.00000 0.01492 0.04666 68 3PY 0.00004 0.01146 0.01407 0.00000 0.00288 69 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 70 4XX -0.00089 0.00000 -0.00000 0.00056 0.00145 71 4YY -0.00117 0.00000 0.00000 -0.00020 -0.00406 72 4ZZ 0.00760 -0.00003 0.00000 -0.00604 -0.00585 73 4XY -0.00002 -0.00589 -0.00670 -0.00000 -0.00086 74 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.03883 0.05966 0.06722 -0.00917 0.03636 77 2S -0.07624 -0.11796 -0.13296 0.01880 -0.07499 78 2PX -0.05124 0.03426 0.03698 0.07403 0.10100 79 2PY -0.03693 0.00887 0.00908 0.04198 0.07441 80 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 81 3S -0.06191 -0.08454 -0.09771 0.01675 -0.04042 82 3PX -0.00622 0.00400 0.00576 0.01402 0.01271 83 3PY -0.00327 0.00929 0.01113 0.00952 0.03743 84 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 85 4XX 0.00357 -0.00327 -0.00350 -0.00438 -0.00256 86 4YY -0.00489 0.00144 0.00161 0.00451 0.00426 87 4ZZ 0.00380 0.00575 0.00647 -0.00069 0.00307 88 4XY -0.00363 0.00082 0.00104 0.00326 0.00506 89 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.04204 0.05945 0.06456 0.05204 0.03621 92 2S 0.08350 -0.11862 -0.12891 -0.10416 -0.07433 93 2PX -0.05067 -0.03682 -0.04234 -0.00276 -0.10752 94 2PY 0.04493 0.01720 0.01431 0.00591 0.06520 95 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 96 3S 0.06608 -0.08503 -0.09602 -0.08168 -0.06667 97 3PX -0.00580 -0.00508 -0.00185 0.00392 -0.03239 98 3PY -0.00113 0.00756 0.00620 0.00340 0.01311 99 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 100 4XX -0.00346 -0.00255 -0.00318 0.00349 -0.00124 101 4YY 0.00531 0.00069 0.00079 -0.00310 0.00170 102 4ZZ -0.00413 0.00571 0.00614 0.00504 0.00303 103 4XY -0.00445 -0.00076 -0.00035 -0.00089 -0.00349 104 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.01412 -0.04346 -0.03911 -0.04962 -0.03115 107 2S -0.00828 -0.00674 -0.00395 -0.01702 -0.01618 108 9 H 1S -0.02182 -0.03531 -0.03990 0.00545 -0.03568 109 2S -0.00299 -0.00431 -0.00481 0.00140 -0.00585 110 10 H 1S -0.04491 0.00015 0.00000 0.04867 0.07695 111 2S -0.00414 0.00001 -0.00000 0.00697 0.01484 112 11 H 1S -0.02158 0.03546 0.03990 0.00545 -0.02187 113 2S -0.00296 0.00433 0.00481 0.00140 -0.00282 114 12 H 1S 0.01442 0.04336 0.03911 -0.04962 -0.04354 115 2S -0.00823 0.00679 0.00395 -0.01702 -0.01995 116 13 C 1S 0.04345 0.07467 0.00000 -0.00155 0.04353 117 2S -0.08835 -0.15183 -0.00000 0.00287 -0.09237 118 2PX -0.02309 0.03390 -0.04625 0.06108 0.04636 119 2PY -0.03388 -0.01574 -0.02670 -0.10580 0.07323 120 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 121 3S -0.06745 -0.11591 -0.00000 0.00597 -0.07675 122 3PX -0.00744 0.00974 -0.00656 0.01404 0.00410 123 3PY -0.00972 -0.00371 -0.00379 -0.02432 0.02079 124 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 125 4XX 0.00387 -0.00293 0.00464 -0.00339 0.00162 126 4YY -0.00400 0.00271 -0.00464 0.00359 0.00158 127 4ZZ 0.00417 0.00716 -0.00000 -0.00014 0.00334 128 4XY -0.00324 0.00082 -0.00310 -0.00698 0.00147 129 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.07250 0.00668 0.06456 0.05204 -0.04987 132 2S -0.14448 -0.01301 -0.12891 -0.10416 0.10301 133 2PX 0.00983 0.01000 0.00878 -0.00374 0.02890 134 2PY -0.00189 0.07770 -0.04382 -0.00535 0.03580 135 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 136 3S -0.10668 -0.01471 -0.09602 -0.08168 0.08340 137 3PX -0.00541 -0.00136 -0.00444 -0.00491 0.01800 138 3PY -0.00486 0.00795 -0.00470 0.00169 0.00033 139 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 140 4XX -0.00049 0.00053 -0.00046 -0.00212 0.00153 141 4YY -0.00205 -0.00121 -0.00193 0.00251 -0.00286 142 4ZZ 0.00701 0.00073 0.00614 0.00504 -0.00413 143 4XY -0.00157 -0.00673 0.00216 -0.00285 0.00011 144 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.03225 -0.06346 0.06722 -0.00917 0.01127 147 2S -0.06403 0.12500 -0.13296 0.01880 -0.02372 148 2PX -0.05029 -0.03748 -0.02635 -0.07337 0.09013 149 2PY 0.03481 0.00982 0.02749 0.04312 -0.06014 150 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 151 3S -0.04226 0.09588 -0.09771 0.01675 -0.02222 152 3PX -0.01167 -0.00012 -0.01252 -0.01526 0.02639 153 3PY 0.00085 0.00384 -0.00058 0.00738 -0.01648 154 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 155 4XX 0.00351 0.00432 0.00111 0.00473 -0.00387 156 4YY -0.00443 -0.00226 -0.00300 -0.00460 0.00410 157 4ZZ 0.00308 -0.00617 0.00647 -0.00069 0.00071 158 4XY 0.00289 0.00112 0.00204 0.00281 -0.00258 159 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.04005 -0.06883 -0.00000 -0.06844 0.05049 162 2S 0.08003 0.13752 0.00000 0.13900 -0.10579 163 2PX -0.03904 0.03360 -0.05796 -0.00168 -0.03974 164 2PY -0.03346 0.00063 -0.03346 0.00290 -0.05557 165 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 166 3S 0.05818 0.09998 0.00000 0.10392 -0.07300 167 3PX -0.01051 0.00168 -0.01218 -0.00746 0.00496 168 3PY -0.00161 0.00863 -0.00703 0.01292 -0.03271 169 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 170 4XX -0.00327 0.00317 -0.00503 -0.00001 -0.00093 171 4YY 0.00430 -0.00139 0.00503 0.00037 0.00266 172 4ZZ -0.00382 -0.00657 0.00000 -0.00604 0.00386 173 4XY 0.00262 -0.00136 0.00335 -0.00038 0.00362 174 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.07111 -0.00331 -0.06722 -0.00917 -0.04967 177 2S 0.14032 0.00609 0.13296 0.01880 0.10278 178 2PX 0.01137 0.00071 0.01063 -0.00065 -0.02100 179 2PY 0.00238 0.07146 -0.03657 0.08510 -0.06354 180 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 181 3S 0.10424 0.01063 0.09771 0.01675 0.06226 182 3PX -0.00536 0.00282 -0.00676 0.00124 -0.03050 183 3PY -0.00344 0.01016 -0.01055 0.01691 -0.01128 184 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 185 4XX 0.00033 -0.00013 0.00044 -0.00016 0.00128 186 4YY 0.00191 0.00034 0.00144 0.00029 -0.00339 187 4ZZ -0.00688 -0.00036 -0.00647 -0.00069 -0.00402 188 4XY 0.00068 0.00661 -0.00308 0.00607 -0.00294 189 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 191 18 C 1S -0.03001 0.06634 -0.06456 0.05204 -0.00502 192 2S 0.06007 -0.13204 0.12891 -0.10416 0.00985 193 2PX -0.06123 -0.03857 -0.03356 0.00650 -0.09264 194 2PY 0.03092 0.00669 0.02952 0.00056 0.07419 195 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 196 3S 0.03992 -0.10001 0.09602 -0.08168 0.01537 197 3PX -0.00881 0.00294 -0.00629 0.00099 -0.02467 198 3PY 0.00336 0.00451 -0.00150 0.00510 0.03573 199 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 200 4XX -0.00366 -0.00534 -0.00006 -0.00079 -0.00287 201 4YY 0.00432 0.00280 0.00245 0.00118 0.00331 202 4ZZ -0.00283 0.00645 -0.00614 0.00504 -0.00045 203 4XY -0.00216 -0.00123 -0.00181 -0.00374 -0.00132 204 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.03034 -0.03416 0.03911 -0.04962 -0.00123 207 2S 0.01000 0.00373 0.00395 -0.01702 0.00405 208 20 H 1S 0.04150 0.00096 0.03990 0.00545 0.04788 209 2S 0.00523 0.00040 0.00481 0.00140 0.00920 210 21 H 1S 0.02259 0.03881 0.00000 0.04867 -0.05081 211 2S 0.00208 0.00358 -0.00000 0.00697 -0.00980 212 22 H 1S -0.01967 0.03656 -0.03990 0.00545 -0.00988 213 2S -0.00224 0.00474 -0.00481 0.00140 -0.00348 214 23 H 1S -0.04469 0.00950 -0.03911 -0.04962 0.05054 215 2S -0.00170 0.01054 -0.00395 -0.01702 0.01981 216 24 C 1S 0.04294 -0.07497 0.00000 -0.00155 0.02240 217 2S -0.08731 0.15243 -0.00000 0.00287 -0.04754 218 2PX -0.02332 -0.03375 0.04625 0.06108 0.07203 219 2PY 0.03377 -0.01597 -0.02670 0.10580 -0.06550 220 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 221 3S -0.06665 0.11637 -0.00000 0.00597 -0.03950 222 3PX -0.00750 -0.00969 0.00656 0.01404 0.01086 223 3PY 0.00970 -0.00378 -0.00379 0.02432 -0.01575 224 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 225 4XX 0.00389 0.00291 -0.00464 -0.00339 0.00044 226 4YY -0.00402 -0.00268 0.00464 0.00359 0.00121 227 4ZZ 0.00412 -0.00719 -0.00000 -0.00014 0.00172 228 4XY 0.00325 0.00080 -0.00310 0.00698 -0.00102 229 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 231 25 C 1S -0.03046 -0.06613 0.06456 0.05204 0.01366 232 2S 0.06098 0.13162 -0.12891 -0.10416 -0.02868 233 2PX -0.06096 0.03899 0.03356 0.00650 -0.06477 234 2PY -0.03087 0.00690 0.02952 -0.00056 -0.06764 235 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 236 3S 0.04060 0.09974 -0.09602 -0.08168 -0.01674 237 3PX -0.00883 -0.00288 0.00629 0.00099 -0.01827 238 3PY -0.00333 0.00453 -0.00150 -0.00510 -0.03692 239 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 240 4XX -0.00362 0.00537 0.00006 -0.00079 -0.00191 241 4YY 0.00430 -0.00283 -0.00245 0.00118 0.00278 242 4ZZ -0.00288 -0.00643 0.00614 0.00504 0.00110 243 4XY 0.00215 -0.00125 -0.00181 0.00374 0.00198 244 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 246 26 C 1S -0.07108 0.00380 0.06722 -0.00917 -0.04764 247 2S 0.14027 -0.00705 -0.13296 0.01880 0.09872 248 2PX 0.01137 -0.00079 -0.01063 -0.00065 -0.02096 249 2PY -0.00189 0.07147 -0.03657 -0.08510 0.01655 250 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 251 3S 0.10417 -0.01134 -0.09771 0.01675 0.06264 252 3PX -0.00538 -0.00278 0.00676 0.00124 -0.02713 253 3PY 0.00351 0.01014 -0.01055 -0.01691 -0.00137 254 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 255 4XX 0.00033 0.00012 -0.00044 -0.00016 0.00106 256 4YY 0.00191 -0.00036 -0.00144 0.00029 -0.00299 257 4ZZ -0.00688 0.00041 0.00647 -0.00069 -0.00379 258 4XY -0.00063 0.00662 -0.00308 -0.00607 0.00067 259 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 261 27 C 1S -0.03958 0.06910 -0.00000 -0.06844 0.02598 262 2S 0.07908 -0.13807 0.00000 0.13900 -0.05444 263 2PX -0.03927 -0.03333 0.05796 -0.00167 -0.05948 264 2PY 0.03346 0.00040 -0.03346 -0.00290 0.05113 265 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 266 3S 0.05750 -0.10038 0.00000 0.10392 -0.03757 267 3PX -0.01052 -0.00160 0.01218 -0.00746 -0.00501 268 3PY 0.00167 0.00861 -0.00703 -0.01292 0.02120 269 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 270 4XX -0.00329 -0.00315 0.00503 -0.00001 -0.00243 271 4YY 0.00431 0.00137 -0.00503 0.00037 0.00332 272 4ZZ -0.00378 0.00659 0.00000 -0.00604 0.00199 273 4XY -0.00263 -0.00134 0.00335 0.00038 -0.00317 274 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.03269 0.06324 -0.06722 -0.00917 0.02788 277 2S -0.06489 -0.12456 0.13296 0.01880 -0.05804 278 2PX -0.05003 0.03783 0.02635 -0.07337 0.05529 279 2PY -0.03474 0.01006 0.02749 -0.04312 0.04782 280 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 281 3S -0.04292 -0.09559 0.09771 0.01675 -0.04204 282 3PX -0.01167 0.00020 0.01252 -0.01526 0.01407 283 3PY -0.00083 0.00385 -0.00058 -0.00738 0.02197 284 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 285 4XX 0.00348 -0.00435 -0.00111 0.00473 -0.00179 286 4YY -0.00441 0.00230 0.00300 -0.00460 0.00276 287 4ZZ 0.00313 0.00614 -0.00647 -0.00069 0.00208 288 4XY -0.00289 0.00114 0.00204 -0.00281 0.00257 289 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.07246 -0.00718 -0.06456 0.05204 -0.04191 292 2S -0.14438 0.01399 0.12891 -0.10416 0.08676 293 2PX 0.00976 -0.01007 -0.00878 -0.00374 0.03184 294 2PY 0.00242 0.07768 -0.04382 0.00535 0.01111 295 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 296 3S -0.10657 0.01544 0.09602 -0.08168 0.06757 297 3PX -0.00540 0.00139 0.00444 -0.00491 0.02252 298 3PY 0.00491 0.00792 -0.00470 -0.00169 0.01392 299 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 300 4XX -0.00049 -0.00053 0.00046 -0.00212 0.00106 301 4YY -0.00204 0.00123 0.00193 0.00251 -0.00239 302 4ZZ 0.00700 -0.00077 -0.00614 0.00504 -0.00346 303 4XY 0.00152 -0.00674 0.00216 0.00285 -0.00146 304 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.04476 -0.00919 0.03911 -0.04962 0.04477 307 2S -0.00177 -0.01052 0.00395 -0.01702 0.01590 308 31 H 1S -0.01992 -0.03642 0.03990 0.00545 -0.02601 309 2S -0.00227 -0.00473 0.00481 0.00140 -0.00638 310 32 H 1S 0.02232 -0.03897 0.00000 0.04867 -0.02615 311 2S 0.00206 -0.00360 -0.00000 0.00697 -0.00504 312 33 H 1S 0.04149 -0.00124 -0.03990 0.00545 0.04556 313 2S 0.00523 -0.00044 -0.00481 0.00140 0.00933 314 34 H 1S 0.03057 0.03396 -0.03911 -0.04962 -0.01939 315 2S 0.00997 -0.00380 -0.00395 -0.01702 -0.00363 31 32 33 34 35 (E')--O (E')--O (E')--O (A')--O (A')--O Eigenvalues -- -0.75367 -0.75105 -0.75105 -0.72306 -0.71812 1 1 C 1S -0.00000 0.00000 -0.00000 -0.06598 -0.00000 2 2S -0.00000 0.00000 0.00000 0.14263 0.00000 3 2PX -0.02785 -0.00324 0.03678 0.00000 -0.00000 4 2PY -0.15054 -0.03678 -0.00324 0.00000 0.00000 5 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 -0.00000 0.00000 0.19517 0.00000 7 3PX -0.00824 0.00504 -0.05733 -0.00000 0.00000 8 3PY -0.04453 0.05733 0.00504 -0.00000 0.00000 9 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.00074 -0.00058 0.00662 -0.00264 0.00000 11 4YY 0.00074 0.00058 -0.00662 -0.00264 0.00000 12 4ZZ -0.00000 0.00000 -0.00000 -0.00524 -0.00000 13 4XY 0.00460 0.00764 0.00067 0.00000 -0.00000 14 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.01220 0.00493 -0.05603 0.04497 -0.00000 17 2S -0.02589 -0.01027 0.11675 -0.09682 0.00000 18 2PX 0.01128 -0.00201 0.02292 -0.13564 0.00000 19 2PY -0.09924 0.10839 0.00953 -0.00000 -0.11890 20 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 21 3S -0.02151 -0.01199 0.13635 -0.08694 0.00000 22 3PX 0.00447 0.00440 -0.05008 -0.00527 0.00000 23 3PY -0.01803 -0.01637 -0.00144 0.00000 -0.02062 24 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX 0.00014 -0.00002 0.00024 0.00387 -0.00000 26 4YY 0.00076 0.00032 -0.00360 0.00070 0.00000 27 4ZZ 0.00094 0.00041 -0.00470 0.00339 0.00000 28 4XY -0.00093 0.00546 0.00048 0.00000 -0.00747 29 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.02130 -0.04691 0.01364 -0.00432 0.05608 32 2S -0.04441 0.09602 -0.02943 0.01060 -0.11688 33 2PX 0.07858 -0.08862 -0.05672 0.03631 0.05693 34 2PY 0.01219 0.03606 -0.09126 0.13926 -0.00618 35 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -0.03014 0.08889 0.00381 -0.01313 -0.10949 37 3PX 0.03845 -0.05506 0.00879 -0.00967 0.02698 38 3PY -0.00522 0.00673 -0.03253 0.04191 -0.01673 39 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX 0.00310 -0.00582 -0.00164 0.00290 0.00437 41 4YY -0.00208 0.00351 0.00253 -0.00309 -0.00262 42 4ZZ 0.00174 -0.00414 0.00095 -0.00008 0.00439 43 4XY -0.00083 -0.00162 0.00363 -0.00327 -0.00003 44 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.04477 0.06705 0.02649 -0.02483 -0.04904 47 2S 0.09284 -0.13841 -0.05280 0.05045 0.10157 48 2PX 0.01416 -0.06457 0.03830 -0.01238 0.08560 49 2PY 0.01500 0.00810 -0.05560 0.07693 -0.00233 50 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.06022 -0.10112 -0.06796 0.06184 0.08493 52 3PX 0.01821 -0.03673 0.01638 -0.00950 0.03076 53 3PY 0.01781 -0.00775 -0.01865 0.03155 0.01250 54 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX -0.00206 0.00438 -0.00148 0.00083 -0.00485 56 4YY 0.00029 -0.00182 0.00149 -0.00030 0.00274 57 4ZZ -0.00352 0.00531 0.00238 -0.00197 -0.00380 58 4XY 0.00163 -0.00179 -0.00126 -0.00029 0.00076 59 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.01415 0.00292 -0.03319 0.01863 0.00000 62 2S -0.02965 -0.00603 0.06854 -0.03919 -0.00000 63 2PX -0.00792 -0.00077 0.00870 0.01556 -0.00000 64 2PY 0.08041 -0.14422 -0.01268 0.00000 0.13341 65 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.02046 -0.00478 0.05431 -0.01793 -0.00000 67 3PX -0.00863 -0.00057 0.00646 -0.00148 0.00000 68 3PY 0.01558 -0.02423 -0.00213 -0.00000 0.03154 69 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.00027 -0.00011 0.00124 -0.00176 -0.00000 71 4YY 0.00075 0.00023 -0.00263 0.00366 -0.00000 72 4ZZ 0.00108 0.00024 -0.00275 0.00155 0.00000 73 4XY -0.00466 0.00821 0.00072 -0.00000 -0.00586 74 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.03401 -0.07064 0.01439 -0.02483 0.04904 77 2S -0.07069 0.14550 -0.02784 0.05045 -0.10157 78 2PX -0.05387 0.05689 0.04898 -0.01238 -0.08560 79 2PY -0.01245 -0.00173 0.05616 -0.07693 -0.00233 80 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 81 3S -0.04900 0.11143 -0.04927 0.06184 -0.08493 82 3PX -0.02437 0.03331 0.02254 -0.00950 -0.03076 83 3PY 0.00473 -0.01089 0.01702 -0.03155 0.01250 84 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.00319 -0.00405 -0.00222 0.00083 0.00485 86 4YY -0.00194 0.00154 0.00178 -0.00030 -0.00274 87 4ZZ 0.00260 -0.00565 0.00141 -0.00197 0.00380 88 4XY -0.00020 -0.00199 0.00093 0.00029 0.00076 89 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.03668 0.04381 0.02162 -0.00432 -0.05608 92 2S 0.07603 -0.08941 -0.04573 0.01060 0.11688 93 2PX -0.04296 0.09716 -0.04039 0.03631 -0.05693 94 2PY -0.01193 0.01958 0.09615 -0.13926 -0.00617 95 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.05782 -0.08819 -0.01175 -0.01313 0.10949 97 3PX -0.02876 0.05268 0.01826 -0.00967 -0.02698 98 3PY -0.01062 0.00096 0.03320 -0.04191 -0.01673 99 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX -0.00285 0.00602 -0.00060 0.00290 -0.00437 101 4YY 0.00158 -0.00390 0.00188 -0.00309 0.00262 102 4ZZ -0.00302 0.00391 0.00166 -0.00008 -0.00439 103 4XY 0.00045 -0.00096 -0.00386 0.00327 -0.00003 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.04038 -0.07850 -0.06435 0.07425 0.05041 107 2S 0.01353 -0.03273 -0.03054 0.03962 0.00417 108 9 H 1S -0.03201 0.06633 -0.02212 0.04707 -0.05649 109 2S -0.00739 0.01731 -0.00786 0.01698 -0.01755 110 10 H 1S -0.01424 -0.00263 0.02987 -0.00898 -0.00000 111 2S -0.00275 -0.00076 0.00864 -0.00127 -0.00000 112 11 H 1S 0.04266 -0.06145 -0.03335 0.04707 0.05649 113 2S 0.00900 -0.01567 -0.01076 0.01698 0.01755 114 12 H 1S -0.02656 0.08852 -0.04967 0.07425 -0.05041 115 2S -0.00684 0.03756 -0.02436 0.03961 -0.00417 116 13 C 1S 0.05100 0.04606 0.03228 0.04497 -0.00000 117 2S -0.10822 -0.09597 -0.06726 -0.09682 0.00000 118 2PX -0.08032 0.06350 -0.07057 0.06782 0.10297 119 2PY 0.00807 0.01491 -0.05599 -0.11746 0.05945 120 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 121 3S -0.08992 -0.11209 -0.07856 -0.08694 0.00000 122 3PX -0.01966 -0.02875 -0.00278 0.00264 0.01786 123 3PY 0.01023 0.03094 0.03172 -0.00457 0.01031 124 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX 0.00299 -0.00019 0.00489 0.00149 -0.00561 126 4YY 0.00077 0.00295 -0.00295 0.00307 0.00561 127 4ZZ 0.00391 0.00386 0.00271 0.00339 0.00000 128 4XY 0.00100 0.00315 -0.00114 -0.00159 0.00374 129 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S -0.01302 -0.04062 0.02713 -0.00432 -0.05608 132 2S 0.02635 0.08430 -0.05456 0.01060 0.11688 133 2PX -0.01356 0.08740 -0.02522 0.10245 0.03381 134 2PY 0.12449 0.03475 0.10592 0.10108 -0.04622 135 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.02883 0.05427 -0.07050 -0.01313 0.10949 137 3PX -0.01598 0.04639 -0.00459 0.04113 0.02798 138 3PY 0.03977 -0.02190 0.03949 0.01258 -0.01500 139 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00103 0.00249 -0.00104 0.00086 0.00085 141 4YY -0.00079 -0.00465 0.00223 -0.00105 -0.00260 142 4ZZ -0.00111 -0.00339 0.00255 -0.00008 -0.00439 143 4XY -0.00378 -0.00050 -0.00546 -0.00463 0.00351 144 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S -0.04850 0.02286 -0.06837 -0.02483 0.04904 147 2S 0.10029 -0.04864 0.13992 0.05045 -0.10157 148 2PX 0.08069 0.07680 0.01323 0.07282 0.04482 149 2PY -0.02332 -0.03748 0.03625 0.02774 -0.07297 150 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.05950 -0.01305 0.12114 0.06184 -0.08493 152 3PX 0.02953 0.02613 0.00675 0.03207 0.00455 153 3PY 0.01841 -0.02668 0.02419 0.00755 -0.03289 154 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX -0.00509 -0.00060 -0.00191 0.00021 -0.00028 156 4YY 0.00300 0.00224 -0.00005 0.00033 0.00238 157 4ZZ -0.00396 0.00160 -0.00560 -0.00197 0.00380 158 4XY 0.00047 -0.00322 0.00251 -0.00071 -0.00417 159 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.05915 0.02728 0.01912 0.01863 0.00000 162 2S -0.12394 -0.05634 -0.03949 -0.03919 -0.00000 163 2PX 0.06253 -0.06838 0.10518 -0.00778 -0.11553 164 2PY -0.00213 -0.04773 0.05494 0.01347 -0.06670 165 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.08552 -0.04465 -0.03129 -0.01793 -0.00000 167 3PX 0.02696 -0.00943 0.01911 0.00074 -0.02731 168 3PY -0.02611 -0.01158 0.00674 -0.00129 -0.01577 169 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00438 -0.00218 0.00602 0.00230 -0.00440 171 4YY -0.00236 0.00332 -0.00522 -0.00041 0.00440 172 4ZZ 0.00453 0.00226 0.00159 0.00155 0.00000 173 4XY 0.00059 0.00396 -0.00226 0.00271 0.00293 174 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00351 -0.05646 0.04482 -0.02483 -0.04904 177 2S -0.00768 0.11493 -0.09346 0.05045 0.10157 178 2PX 0.00377 -0.03776 0.00738 -0.06044 -0.04078 179 2PY -0.11959 -0.02282 -0.08242 -0.04919 0.07530 180 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -0.01260 0.10941 -0.05360 0.06184 0.08493 182 3PX -0.00376 -0.01944 0.01774 -0.02257 -0.02621 183 3PY -0.03327 -0.00639 -0.03595 -0.02400 0.02039 184 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00038 0.00098 -0.00130 -0.00023 0.00141 186 4YY -0.00048 -0.00227 0.00351 0.00077 -0.00352 187 4ZZ 0.00008 -0.00471 0.00342 -0.00197 -0.00380 188 4XY -0.00581 -0.00073 -0.00297 -0.00042 0.00342 189 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S -0.05129 0.01164 -0.04745 -0.00432 0.05608 192 2S 0.10587 -0.02252 0.09787 0.01060 -0.11688 193 2PX -0.06076 -0.09955 -0.04237 -0.13876 -0.02312 194 2PY 0.00458 0.05041 -0.08034 -0.03818 0.05239 195 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.08689 -0.04775 0.07507 -0.01313 -0.10949 197 3PX -0.01333 -0.03144 0.00691 -0.03146 0.00100 198 3PY -0.00993 0.00485 -0.05615 -0.02933 0.03173 199 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX -0.00216 -0.00363 -0.00214 -0.00404 -0.00090 201 4YY 0.00088 0.00401 -0.00031 0.00386 0.00265 202 4ZZ -0.00426 0.00124 -0.00406 -0.00008 0.00439 203 4XY 0.00207 -0.00297 0.00461 -0.00136 -0.00348 204 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.05098 -0.00124 0.10150 0.07425 -0.05041 207 2S 0.02070 0.00232 0.04471 0.03961 -0.00417 208 20 H 1S -0.00239 0.05961 -0.03654 0.04707 0.05649 209 2S -0.00206 0.01715 -0.00819 0.01698 0.01755 210 21 H 1S -0.05953 -0.02455 -0.01721 -0.00898 -0.00000 211 2S -0.01148 -0.00710 -0.00498 -0.00127 -0.00000 212 22 H 1S 0.04690 -0.01401 0.06850 0.04707 -0.05649 213 2S 0.00877 -0.00185 0.01892 0.01698 -0.01755 214 23 H 1S 0.00679 0.09498 -0.03580 0.07425 0.05041 215 2S 0.00725 0.04282 -0.01308 0.03962 0.00417 216 24 C 1S -0.06319 -0.05098 0.02375 0.04497 -0.00000 217 2S 0.13411 0.10624 -0.04948 -0.09682 0.00000 218 2PX 0.05841 -0.05022 -0.08056 0.06782 -0.10297 219 2PY 0.03373 0.00491 0.05773 0.11746 0.05945 220 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 221 3S 0.11143 0.12408 -0.05779 -0.08694 0.00000 222 3PX 0.01689 0.02879 0.00228 0.00264 -0.01786 223 3PY 0.01700 0.03600 -0.02583 0.00457 0.01031 224 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX -0.00337 -0.00067 0.00485 0.00149 0.00561 226 4YY -0.00128 -0.00239 -0.00342 0.00307 -0.00561 227 4ZZ -0.00485 -0.00427 0.00199 0.00339 0.00000 228 4XY 0.00146 0.00291 0.00167 0.00159 0.00374 229 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.04970 -0.00319 -0.04875 -0.00432 -0.05608 232 2S -0.10239 0.00510 0.10029 0.01060 0.11688 233 2PX 0.08988 0.10542 -0.02435 -0.13876 0.02312 234 2PY 0.03082 0.03563 0.08790 0.03818 0.05239 235 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -0.08664 0.03391 0.08225 -0.01313 0.10949 237 3PX 0.02127 0.02975 0.01229 -0.03146 -0.00100 238 3PY 0.00351 -0.00502 0.05613 0.02933 0.03173 239 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.00304 0.00395 -0.00147 -0.00404 0.00090 241 4YY -0.00201 -0.00390 -0.00100 0.00386 -0.00265 242 4ZZ 0.00414 -0.00052 -0.00421 -0.00008 -0.00439 243 4XY 0.00146 -0.00212 -0.00505 0.00136 -0.00348 244 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.01449 0.04778 0.05398 -0.02483 0.04904 247 2S -0.02960 -0.09686 -0.11208 0.05045 -0.10157 248 2PX 0.00400 0.03589 0.01386 -0.06044 0.04078 249 2PY -0.13441 -0.03685 0.07717 0.04919 0.07530 250 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.01051 -0.09839 -0.07187 0.06184 -0.08493 252 3PX 0.01442 0.01605 0.02086 -0.02258 0.02621 253 3PY -0.03511 -0.01257 0.03428 0.02400 0.02039 254 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX -0.00082 -0.00074 -0.00145 -0.00023 -0.00141 256 4YY 0.00166 0.00162 0.00385 0.00077 0.00352 257 4ZZ 0.00136 0.00405 0.00419 -0.00197 0.00380 258 4XY -0.00647 -0.00123 0.00279 0.00042 0.00342 259 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S -0.07330 -0.03020 0.01407 0.01863 0.00000 262 2S 0.15359 0.06237 -0.02905 -0.03919 -0.00000 263 2PX -0.04417 0.04898 0.11550 -0.00778 0.11553 264 2PY -0.02187 -0.03742 -0.06243 -0.01347 -0.06670 265 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.10598 0.04942 -0.02302 -0.01793 -0.00000 267 3PX -0.02695 0.00596 0.02046 0.00074 0.02731 268 3PY -0.03609 -0.01023 -0.00865 0.00129 -0.01577 269 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX -0.00376 0.00110 0.00631 0.00230 0.00440 271 4YY 0.00125 -0.00236 -0.00572 -0.00041 -0.00440 272 4ZZ -0.00561 -0.00250 0.00117 0.00155 0.00000 273 4XY 0.00185 0.00350 0.00291 -0.00271 0.00293 274 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.04126 -0.01058 -0.07131 -0.02483 -0.04904 277 2S -0.08517 0.02348 0.14626 0.05045 0.10157 278 2PX -0.10760 -0.07793 -0.00038 0.07282 -0.04482 279 2PY -0.04329 -0.03058 -0.04224 -0.02774 -0.07297 280 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.04762 -0.00829 0.12155 0.06184 0.08493 282 3PX -0.03702 -0.02691 0.00208 0.03207 -0.00455 283 3PY 0.01130 -0.02205 -0.02848 -0.00755 -0.03289 284 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX 0.00614 0.00093 -0.00178 0.00021 0.00028 286 4YY -0.00427 -0.00220 -0.00044 0.00033 -0.00238 287 4ZZ 0.00344 -0.00060 -0.00579 -0.00197 -0.00380 288 4XY -0.00048 -0.00274 -0.00304 0.00071 -0.00417 289 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.03000 0.03527 0.03381 -0.00432 0.05608 292 2S -0.06146 -0.07349 -0.06844 0.01060 -0.11688 293 2PX 0.00233 -0.08166 -0.04008 0.10245 -0.03381 294 2PY 0.12906 0.05270 -0.09823 -0.10108 -0.04622 295 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -0.05676 -0.04114 -0.07889 -0.01313 -0.10949 297 3PX 0.00848 -0.04488 -0.01261 0.04113 -0.02798 298 3PY 0.03726 -0.01467 -0.04270 -0.01258 -0.01500 299 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX -0.00151 -0.00227 -0.00145 0.00086 -0.00085 301 4YY 0.00176 0.00419 0.00300 -0.00105 0.00260 302 4ZZ 0.00252 0.00289 0.00311 -0.00008 0.00439 303 4XY -0.00349 -0.00145 0.00529 0.00463 0.00351 304 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.02442 -0.08728 -0.05183 0.07425 -0.05041 307 2S -0.01385 -0.03988 -0.02035 0.03961 -0.00417 308 31 H 1S -0.04027 0.00184 0.06989 0.04707 0.05649 309 2S -0.00694 -0.00148 0.01895 0.01698 0.01755 310 32 H 1S 0.07376 0.02718 -0.01266 -0.00898 -0.00000 311 2S 0.01422 0.00786 -0.00366 -0.00127 -0.00000 312 33 H 1S -0.01490 -0.05232 -0.04638 0.04707 -0.05649 313 2S -0.00137 -0.01546 -0.01106 0.01698 -0.01755 314 34 H 1S -0.04717 -0.01648 0.10016 0.07425 0.05041 315 2S -0.02078 -0.01008 0.04362 0.03962 0.00417 36 37 38 39 40 (A')--O (E')--O (E')--O (E')--O (E')--O Eigenvalues -- -0.66403 -0.65415 -0.65415 -0.61508 -0.61508 1 1 C 1S -0.05053 -0.00000 -0.00000 -0.00000 0.00000 2 2S 0.11096 -0.00000 -0.00000 0.00000 -0.00000 3 2PX 0.00000 0.00158 0.17635 -0.00841 0.21780 4 2PY -0.00000 0.17635 -0.00158 0.21780 0.00841 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.14598 0.00000 0.00000 -0.00000 0.00000 7 3PX 0.00000 0.00054 0.06034 -0.00473 0.12244 8 3PY -0.00000 0.06034 -0.00054 0.12244 0.00473 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.00219 0.00006 0.00631 -0.00008 0.00218 11 4YY -0.00219 -0.00006 -0.00631 0.00008 -0.00218 12 4ZZ -0.00365 -0.00000 -0.00000 0.00000 -0.00000 13 4XY -0.00000 -0.00729 0.00007 -0.00252 -0.00010 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00811 -0.00020 -0.02205 0.00069 -0.01776 17 2S -0.01953 0.00039 0.04300 -0.00153 0.03955 18 2PX -0.04254 -0.00149 -0.16675 0.00586 -0.15165 19 2PY 0.00000 0.00053 -0.00000 0.17569 0.00678 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S -0.00572 0.00098 0.10984 -0.00074 0.01908 22 3PX 0.00592 -0.00008 -0.00873 -0.00013 0.00333 23 3PY -0.00000 0.01259 -0.00011 0.06425 0.00248 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX 0.00851 -0.00002 -0.00222 -0.00026 0.00675 26 4YY -0.00757 0.00002 0.00171 0.00038 -0.00995 27 4ZZ -0.00002 -0.00001 -0.00167 0.00004 -0.00109 28 4XY -0.00000 -0.00642 0.00006 0.00262 0.00010 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.01150 0.02608 -0.00233 -0.01404 0.03408 32 2S -0.02394 -0.05476 0.00787 0.03009 -0.06949 33 2PX 0.11329 -0.02515 -0.05633 -0.05849 0.08142 34 2PY -0.04955 -0.00674 0.13135 -0.10931 -0.03995 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -0.02327 -0.06959 -0.01704 0.05597 -0.12296 37 3PX 0.04677 -0.00921 -0.02414 -0.00419 -0.00161 38 3PY -0.01345 -0.00609 0.08053 -0.00758 -0.01104 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX 0.00602 0.00110 0.00129 0.00257 0.00876 41 4YY -0.00543 -0.00033 0.00111 -0.00366 -0.00744 42 4ZZ 0.00097 0.00181 0.00052 -0.00067 0.00278 43 4XY 0.00158 0.00024 0.00304 0.00355 0.00364 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.03391 -0.01327 -0.01007 -0.00360 -0.04220 47 2S 0.07183 0.02686 0.01983 0.00931 0.08610 48 2PX -0.06604 0.07637 0.06791 0.03429 -0.00840 49 2PY 0.00755 -0.00571 0.14506 -0.05453 0.01380 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.04306 0.03332 0.04749 0.00067 0.13352 52 3PX -0.00875 0.01794 0.01831 0.02682 -0.01804 53 3PY 0.01522 0.00041 0.03920 -0.02750 0.00306 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX -0.00343 -0.00252 0.00237 -0.00012 -0.00659 56 4YY -0.00062 0.00223 0.00082 -0.00116 0.00321 57 4ZZ -0.00254 -0.00109 -0.00060 0.00014 -0.00339 58 4XY 0.00650 -0.00010 -0.00089 0.00087 0.00643 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.04859 -0.00006 -0.00677 -0.00157 0.04076 62 2S -0.10401 0.00012 0.01365 0.00322 -0.08333 63 2PX -0.12722 0.00143 0.15982 0.00653 -0.16917 64 2PY -0.00000 0.07859 -0.00070 0.07092 0.00274 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.08860 0.00015 0.01683 0.00437 -0.11317 67 3PX -0.06876 0.00054 0.06009 0.00190 -0.04929 68 3PY 0.00000 0.02433 -0.00022 0.00559 0.00022 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.00346 -0.00000 -0.00029 0.00031 -0.00815 71 4YY 0.00535 0.00003 0.00335 -0.00033 0.00859 72 4ZZ 0.00312 -0.00000 -0.00022 -0.00012 0.00318 73 4XY 0.00000 -0.00165 0.00001 -0.00311 -0.00012 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.03391 0.01309 -0.01031 0.00685 -0.04179 77 2S 0.07183 -0.02650 0.02031 -0.01592 0.08512 78 2PX -0.06604 -0.07514 0.06927 -0.03354 -0.01102 79 2PY -0.00755 -0.00831 -0.14493 -0.05330 -0.01796 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.04306 -0.03247 0.04808 -0.01097 0.13307 82 3PX -0.00875 -0.01761 0.01863 -0.02535 -0.02006 83 3PY -0.01522 -0.00030 -0.03920 -0.02718 -0.00517 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX -0.00343 0.00256 0.00233 0.00063 -0.00656 86 4YY -0.00062 -0.00222 0.00086 0.00091 0.00329 87 4ZZ -0.00254 0.00108 -0.00062 0.00012 -0.00339 88 4XY -0.00650 -0.00009 0.00089 0.00136 -0.00635 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.01150 -0.02612 -0.00186 0.01137 0.03506 92 2S -0.02394 0.05490 0.00689 -0.02464 -0.07160 93 2PX 0.11329 0.02413 -0.05677 0.05203 0.08569 94 2PY 0.04955 -0.00910 -0.13121 -0.11206 0.03141 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.02327 0.06927 -0.01829 -0.04632 -0.12691 97 3PX 0.04677 0.00877 -0.02430 0.00429 -0.00128 98 3PY 0.01345 -0.00754 -0.08041 -0.00841 0.01042 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.00602 -0.00108 0.00131 -0.00324 0.00853 101 4YY -0.00543 0.00035 0.00111 0.00422 -0.00714 102 4ZZ 0.00097 -0.00180 0.00055 0.00045 0.00282 103 4XY -0.00158 0.00018 -0.00305 0.00382 -0.00335 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S -0.07961 0.01009 0.06836 0.06418 -0.07495 107 2S -0.05118 -0.00849 0.01685 0.07382 -0.03008 108 9 H 1S 0.01924 -0.02547 0.08845 0.01005 0.04760 109 2S 0.00241 -0.01349 0.05169 0.00620 0.02446 110 10 H 1S -0.10537 0.00075 0.08374 0.00508 -0.13154 111 2S -0.04253 0.00039 0.04366 0.00306 -0.07934 112 11 H 1S 0.01924 0.02705 0.08798 -0.01369 0.04668 113 2S 0.00241 0.01442 0.05144 -0.00807 0.02391 114 12 H 1S -0.07961 -0.00886 0.06853 -0.05821 -0.07968 115 2S -0.05118 0.00879 0.01670 -0.07128 -0.03568 116 13 C 1S 0.00811 -0.01900 0.01120 -0.01572 0.00829 117 2S -0.01953 0.03705 -0.02183 0.03502 -0.01845 118 2PX 0.02127 0.07206 -0.04194 0.13812 0.09933 119 2PY -0.03685 -0.12428 0.07355 -0.07529 0.13904 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S -0.00572 0.09464 -0.05577 0.01690 -0.00890 122 3PX -0.00296 0.00929 0.00718 0.02449 0.05004 123 3PY 0.00513 -0.00331 0.00926 0.01754 0.02710 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.00355 0.00307 0.00378 -0.00603 0.00096 126 4YY 0.00449 -0.00351 -0.00352 0.00320 0.00054 127 4ZZ -0.00002 -0.00144 0.00085 -0.00096 0.00051 128 4XY -0.00804 0.00006 -0.00376 -0.00678 0.00506 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.01150 0.01145 0.02355 0.02468 -0.02738 132 2S -0.02394 -0.02148 -0.05099 -0.04969 0.05714 133 2PX -0.09956 0.12508 -0.06738 -0.09617 -0.02649 134 2PY 0.07333 0.00151 -0.03026 0.00012 -0.11680 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -0.02327 -0.05047 -0.05085 -0.08675 0.10357 137 3PX -0.03503 0.06976 -0.04275 -0.00983 -0.00025 138 3PY 0.03378 0.01091 -0.01942 -0.00943 -0.00370 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX -0.00375 -0.00104 0.00045 -0.00758 -0.00165 141 4YY 0.00434 0.00350 -0.00103 0.00830 0.00011 142 4ZZ 0.00097 0.00138 0.00128 0.00222 -0.00180 143 4XY -0.00494 0.00092 -0.00125 -0.00625 0.00151 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S -0.03391 -0.01547 -0.00618 -0.03962 0.01497 147 2S 0.07183 0.03084 0.01280 0.08168 -0.02877 148 2PX 0.03956 0.05632 -0.08421 -0.01322 -0.06503 149 2PY -0.05342 0.14517 -0.01347 0.00071 0.00236 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.04306 0.05787 0.00408 0.12073 -0.05704 152 3PX 0.01756 0.01680 -0.02016 -0.00554 -0.03862 153 3PY 0.00003 0.03850 -0.00479 -0.00862 0.01463 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX -0.00620 0.00218 -0.00000 -0.00434 0.00035 156 4YY 0.00215 0.00040 -0.00189 0.00073 -0.00005 157 4ZZ -0.00254 -0.00108 -0.00063 -0.00299 0.00159 158 4XY 0.00466 0.00015 0.00262 0.00729 -0.00358 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.04859 -0.00583 0.00344 0.03609 -0.01902 162 2S -0.10401 0.01176 -0.00693 -0.07377 0.03888 163 2PX 0.06361 -0.03429 0.09921 0.10354 0.01491 164 2PY -0.11018 0.13919 -0.03642 -0.11316 0.09975 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.08860 0.01450 -0.00854 -0.10019 0.05280 167 3PX 0.03438 -0.01518 0.03341 0.02408 -0.00722 168 3PY -0.05955 0.05101 -0.01594 -0.03649 0.02239 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00315 0.00273 -0.00018 0.00499 0.00001 171 4YY -0.00125 -0.00009 -0.00138 -0.00460 -0.00022 172 4ZZ 0.00312 -0.00019 0.00011 0.00282 -0.00149 173 4XY 0.00440 0.00115 -0.00163 0.00668 -0.00528 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.03391 -0.00209 0.01653 -0.03474 0.02422 177 2S 0.07183 0.00374 -0.03318 0.06991 -0.05111 178 2PX 0.02648 -0.12158 0.10858 -0.02175 -0.02217 179 2PY -0.06097 -0.04638 -0.05289 -0.04076 -0.04224 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.04306 0.02447 -0.05260 0.11530 -0.06734 182 3PX -0.00881 -0.03267 0.02963 0.00031 -0.01220 183 3PY -0.01519 -0.01091 -0.01141 -0.03335 -0.02345 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00355 -0.00001 -0.00111 0.00496 -0.00258 186 4YY -0.00761 0.00292 -0.00024 -0.00725 0.00538 187 4ZZ -0.00254 0.00003 0.00125 -0.00300 0.00157 188 4XY -0.00185 -0.00150 -0.00194 0.00194 -0.00001 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.01150 -0.01506 -0.02143 0.03653 -0.00488 192 2S -0.02394 0.03420 0.04349 -0.07522 0.00869 193 2PX -0.01373 -0.08333 0.02685 -0.06724 -0.10425 194 2PY 0.12289 -0.08992 0.07317 0.07636 -0.04871 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.02327 0.02003 0.06879 -0.13447 0.01301 197 3PX -0.01174 -0.05489 0.02028 0.00465 -0.01268 198 3PY 0.04723 -0.05051 0.03485 0.00349 -0.00221 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX -0.00139 0.00288 -0.00190 -0.00086 -0.00016 201 4YY 0.00198 -0.00118 0.00003 0.00254 0.00044 202 4ZZ 0.00097 -0.00045 -0.00183 0.00274 -0.00081 203 4XY -0.00651 -0.00098 0.00153 -0.00614 0.00919 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.07961 0.06378 -0.02659 -0.03989 0.09025 207 2S -0.05118 0.01007 -0.01596 0.00474 0.07957 208 20 H 1S 0.01924 0.06267 -0.06742 0.04727 -0.01149 209 2S 0.00241 0.03734 -0.03821 0.02474 -0.00497 210 21 H 1S -0.10537 0.07215 -0.04252 -0.11646 0.06137 211 2S -0.04253 0.03761 -0.02217 -0.07024 0.03702 212 22 H 1S 0.01924 0.08934 -0.02217 0.03620 -0.03250 213 2S 0.00241 0.05152 -0.01416 0.01808 -0.01760 214 23 H 1S -0.07961 0.05415 -0.04292 -0.09700 -0.01811 215 2S -0.05118 0.01884 -0.00108 -0.06296 -0.04889 216 24 C 1S 0.00811 0.01920 0.01085 0.01504 0.00947 217 2S -0.01953 -0.03743 -0.02117 -0.03349 -0.02110 218 2PX 0.02127 -0.07280 -0.04064 -0.14537 0.08838 219 2PY 0.03684 -0.12558 -0.07131 -0.06434 -0.14444 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.00572 -0.09562 -0.05407 -0.01616 -0.01018 222 3PX -0.00296 -0.00916 0.00734 -0.02827 0.04800 223 3PY -0.00513 -0.00348 -0.00920 0.01958 -0.02566 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX -0.00355 -0.00300 0.00383 0.00594 0.00142 226 4YY 0.00449 0.00344 -0.00358 -0.00323 0.00029 227 4ZZ -0.00002 0.00145 0.00082 0.00092 0.00058 228 4XY 0.00804 0.00013 0.00376 -0.00637 -0.00556 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.01150 0.01467 -0.02169 -0.03605 -0.00768 232 2S -0.02394 -0.03341 0.04410 0.07433 0.01446 233 2PX -0.01373 0.08380 0.02535 0.07508 -0.09876 234 2PY -0.12289 -0.09122 -0.07155 0.07238 0.05445 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -0.02327 -0.01880 0.06914 0.13307 0.02334 237 3PX -0.01174 0.05524 0.01929 -0.00365 -0.01300 238 3PY -0.04723 -0.05113 -0.03394 0.00331 0.00247 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX -0.00139 -0.00291 -0.00185 0.00087 -0.00009 241 4YY 0.00198 0.00118 0.00001 -0.00257 0.00024 242 4ZZ 0.00097 0.00042 -0.00183 -0.00267 -0.00102 243 4XY 0.00651 -0.00101 -0.00151 -0.00542 -0.00964 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S -0.03391 0.00239 0.01649 0.03277 0.02683 247 2S 0.07183 -0.00433 -0.03311 -0.06576 -0.05635 248 2PX 0.02648 0.12351 0.10638 0.02339 -0.02043 249 2PY 0.06097 -0.04542 0.05372 -0.04390 0.03897 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.04306 -0.02540 -0.05216 -0.10976 -0.07603 252 3PX -0.00881 0.03320 0.02904 0.00063 -0.01219 253 3PY 0.01519 -0.01070 0.01160 -0.03506 0.02080 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00355 -0.00001 -0.00111 -0.00474 -0.00295 256 4YY -0.00761 -0.00292 -0.00019 0.00681 0.00592 257 4ZZ -0.00254 -0.00001 0.00125 0.00287 0.00180 258 4XY 0.00185 -0.00147 0.00196 0.00193 0.00016 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.04859 0.00589 0.00333 -0.03452 -0.02175 262 2S -0.10401 -0.01188 -0.00672 0.07055 0.04445 263 2PX 0.06361 0.03606 0.09858 -0.10438 0.00688 264 2PY 0.11018 0.13983 0.03392 -0.10513 -0.10818 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.08860 -0.01465 -0.00828 0.09582 0.06037 267 3PX 0.03438 0.01578 0.03313 -0.02345 -0.00905 268 3PY 0.05955 0.05129 0.01502 -0.03466 -0.02514 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX 0.00315 -0.00273 -0.00013 -0.00498 -0.00037 271 4YY -0.00125 0.00007 -0.00138 0.00460 0.00014 272 4ZZ 0.00312 0.00019 0.00011 -0.00270 -0.00170 273 4XY -0.00440 0.00118 0.00161 0.00626 0.00578 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.03391 0.01536 -0.00645 0.03835 0.01798 277 2S 0.07183 -0.03060 0.01335 -0.07922 -0.03499 278 2PX 0.03956 -0.05782 -0.08319 0.01820 -0.06382 279 2PY 0.05342 0.14539 0.01086 0.00089 -0.00230 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.04306 -0.05779 0.00511 -0.11597 -0.06618 282 3PX 0.01756 -0.01716 -0.01986 0.00850 -0.03808 283 3PY -0.00003 0.03858 0.00410 -0.00747 -0.01526 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.00620 -0.00218 0.00004 0.00430 0.00069 286 4YY 0.00215 -0.00044 -0.00188 -0.00073 -0.00010 287 4ZZ -0.00254 0.00106 -0.00065 0.00286 0.00181 288 4XY -0.00466 0.00011 -0.00262 0.00699 0.00413 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.01150 -0.01103 0.02375 -0.02249 -0.02920 292 2S -0.02394 0.02056 -0.05136 0.04513 0.06080 293 2PX -0.09956 -0.12627 -0.06513 0.09793 -0.01900 294 2PY -0.07333 0.00205 0.03023 -0.00889 0.11646 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -0.02327 0.04956 -0.05174 0.07850 0.10995 297 3PX -0.03503 -0.07052 -0.04149 0.00982 0.00051 298 3PY -0.03378 0.01126 0.01923 -0.00969 0.00297 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX -0.00375 0.00105 0.00043 0.00768 -0.00106 301 4YY 0.00434 -0.00352 -0.00097 -0.00828 -0.00053 302 4ZZ 0.00097 -0.00136 0.00131 -0.00208 -0.00197 303 4XY 0.00494 0.00094 0.00123 -0.00611 -0.00198 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.07961 -0.05491 -0.04194 0.09811 -0.01058 307 2S -0.05118 -0.01886 -0.00074 0.06654 -0.04389 308 31 H 1S 0.01924 -0.08972 -0.02056 -0.03359 -0.03520 309 2S 0.00241 -0.05176 -0.01324 -0.01667 -0.01894 310 32 H 1S -0.10537 -0.07290 -0.04122 0.11138 0.07017 311 2S -0.04253 -0.03800 -0.02149 0.06718 0.04232 312 33 H 1S 0.01924 -0.06387 -0.06628 -0.04625 -0.01510 313 2S 0.00241 -0.03802 -0.03753 -0.02429 -0.00686 314 34 H 1S -0.07961 -0.06424 -0.02544 0.03282 0.09306 315 2S -0.05118 -0.01035 -0.01578 -0.01086 0.07897 41 42 43 44 45 (A')--O (E')--O (E')--O (A')--O (E')--O Eigenvalues -- -0.59227 -0.59046 -0.59046 -0.57671 -0.56410 1 1 C 1S -0.02666 0.00000 -0.00000 0.00000 -0.00000 2 2S 0.05426 -0.00000 0.00000 0.00000 -0.00000 3 2PX -0.00000 0.01627 0.00018 -0.00000 -0.17204 4 2PY 0.00000 0.00018 -0.01627 -0.00000 -0.00096 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.13570 -0.00000 -0.00000 -0.00000 0.00000 7 3PX 0.00000 -0.13969 -0.00152 -0.00000 0.01407 8 3PY -0.00000 -0.00152 0.13969 0.00000 0.00008 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.00117 0.00540 0.00006 -0.00000 -0.01133 11 4YY -0.00117 -0.00540 -0.00006 -0.00000 0.01133 12 4ZZ -0.00233 -0.00000 0.00000 0.00000 -0.00000 13 4XY -0.00000 -0.00007 0.00623 -0.00000 0.00007 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.03095 -0.03488 -0.00038 0.00000 0.01984 17 2S -0.06436 0.06842 0.00074 -0.00000 -0.04089 18 2PX -0.06738 0.01512 0.00016 -0.00000 0.16729 19 2PY -0.00000 -0.00115 0.10612 0.18897 0.00098 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S -0.12381 0.20024 0.00217 -0.00000 -0.08682 22 3PX -0.00374 -0.08008 -0.00087 -0.00000 0.09420 23 3PY 0.00000 0.00054 -0.04984 0.05529 0.00001 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX 0.00238 0.00189 0.00002 0.00000 -0.00316 26 4YY 0.00146 -0.00416 -0.00005 -0.00000 0.00459 27 4ZZ 0.00237 -0.00310 -0.00003 0.00000 0.00119 28 4XY 0.00000 0.00002 -0.00167 0.00660 0.00008 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.00615 0.01484 0.01768 -0.01028 -0.02244 32 2S 0.01229 -0.03205 -0.04304 0.01833 0.04821 33 2PX 0.01254 0.00280 -0.17170 -0.13764 0.00710 34 2PY 0.06610 -0.06531 -0.00222 -0.08998 -0.03934 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -0.00372 0.00537 0.00363 0.07482 0.06460 37 3PX -0.02574 0.05438 -0.08726 -0.03046 0.00858 38 3PY 0.00562 -0.02085 -0.03052 -0.00841 0.00102 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX -0.00025 0.00231 -0.00132 0.00038 -0.00460 41 4YY -0.00085 -0.00071 0.00389 -0.00091 0.00246 42 4ZZ -0.00078 0.00112 0.00028 -0.00109 -0.00129 43 4XY -0.00871 0.00751 0.00015 0.00138 0.00156 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.01546 -0.02123 -0.00062 -0.00041 0.01567 47 2S -0.03265 0.04657 0.00094 0.00353 -0.03272 48 2PX -0.04950 0.04477 0.19569 0.12019 -0.03138 49 2PY -0.14989 0.12111 -0.02789 -0.08576 0.05448 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S -0.02089 0.00351 0.00368 -0.01888 -0.04623 52 3PX -0.04018 0.04776 0.04481 0.05443 0.00385 53 3PY -0.04814 0.04818 0.00906 -0.03084 0.01205 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX -0.00097 -0.00174 -0.00403 -0.00161 0.00682 56 4YY -0.00030 0.00145 0.00499 0.00040 -0.00487 57 4ZZ 0.00094 -0.00115 -0.00008 0.00050 0.00114 58 4XY -0.00746 0.00755 -0.00201 -0.00127 0.00084 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S -0.02244 0.02574 0.00028 0.00000 -0.00393 62 2S 0.05018 -0.05745 -0.00062 -0.00000 0.00465 63 2PX -0.13383 0.06027 0.00065 -0.00000 0.18685 64 2PY -0.00000 -0.00181 0.16716 0.15679 0.00065 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.05392 -0.05080 -0.00055 0.00000 0.01221 67 3PX -0.03419 -0.00399 -0.00004 -0.00000 0.05912 68 3PY -0.00000 -0.00082 0.07550 0.04336 0.00008 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX 0.00014 -0.00259 -0.00003 -0.00000 0.00898 71 4YY -0.00525 0.00669 0.00007 0.00000 -0.00525 72 4ZZ -0.00134 0.00146 0.00002 0.00000 -0.00071 73 4XY 0.00000 0.00001 -0.00091 -0.00392 -0.00004 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.01546 -0.02124 0.00016 0.00041 0.01575 77 2S -0.03265 0.04658 0.00007 -0.00353 -0.03293 78 2PX -0.04950 0.04900 -0.19467 -0.12019 -0.03125 79 2PY 0.14989 -0.12048 -0.03051 -0.08576 -0.05607 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S -0.02089 0.00359 -0.00360 0.01888 -0.04648 82 3PX -0.04019 0.04872 -0.04376 -0.05443 0.00369 83 3PY 0.04814 -0.04836 0.00802 -0.03084 -0.01263 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX -0.00097 -0.00183 0.00399 0.00161 0.00680 86 4YY -0.00030 0.00156 -0.00496 -0.00040 -0.00481 87 4ZZ 0.00094 -0.00115 0.00006 -0.00050 0.00114 88 4XY 0.00746 -0.00750 -0.00218 -0.00127 -0.00085 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.00615 0.01522 -0.01735 0.01028 -0.02213 92 2S 0.01229 -0.03297 0.04233 -0.01833 0.04754 93 2PX 0.01254 -0.00092 0.17172 0.13764 0.00735 94 2PY -0.06610 0.06534 -0.00080 -0.08998 0.03754 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.00372 0.00545 -0.00351 -0.07481 0.06318 97 3PX -0.02574 0.05247 0.08842 0.03046 0.00884 98 3PY -0.00562 0.02150 -0.03006 -0.00841 -0.00160 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX -0.00025 0.00228 0.00137 -0.00038 -0.00463 101 4YY -0.00085 -0.00063 -0.00391 0.00091 0.00254 102 4ZZ -0.00078 0.00113 -0.00026 0.00109 -0.00127 103 4XY 0.00871 -0.00751 -0.00002 0.00138 -0.00153 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.05586 -0.05789 -0.04192 0.01048 -0.01289 107 2S 0.04456 -0.04283 -0.03727 0.05686 -0.01537 108 9 H 1S -0.10312 0.09518 -0.03515 0.01140 0.00281 109 2S -0.06726 0.05868 -0.02362 0.00686 0.00482 110 10 H 1S -0.05027 0.00594 0.00006 -0.00000 0.11609 111 2S -0.04269 0.01687 0.00018 -0.00000 0.08787 112 11 H 1S -0.10312 0.09439 0.03721 -0.01140 0.00202 113 2S -0.06726 0.05815 0.02489 -0.00686 0.00418 114 12 H 1S 0.05586 -0.05878 0.04065 -0.01048 -0.01374 115 2S 0.04456 -0.04363 0.03633 -0.05685 -0.01632 116 13 C 1S 0.03095 0.01711 0.03040 0.00000 -0.00982 117 2S -0.06436 -0.03357 -0.05963 -0.00000 0.02025 118 2PX 0.03369 -0.07638 0.05168 -0.16365 0.17336 119 2PY -0.05835 -0.05266 0.01462 -0.09449 0.00443 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S -0.12381 -0.09824 -0.17450 -0.00000 0.04299 122 3PX 0.00187 0.01797 -0.05607 -0.04788 0.02523 123 3PY -0.00324 0.05574 0.04821 -0.02764 -0.03930 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX 0.00169 0.00020 0.00292 0.00495 -0.01076 126 4YY 0.00215 0.00091 -0.00095 -0.00495 0.01005 127 4ZZ 0.00237 0.00152 0.00270 0.00000 -0.00059 128 4XY -0.00046 0.00221 0.00223 -0.00330 0.00438 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S -0.00615 -0.02264 -0.00451 0.01028 -0.01377 132 2S 0.01229 0.05315 0.00739 -0.01833 0.02885 133 2PX 0.05098 -0.04570 0.09119 0.00911 -0.09347 134 2PY 0.04391 0.14587 -0.04557 0.16419 -0.08147 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -0.00372 -0.00576 -0.00296 -0.07481 0.07906 137 3PX 0.01774 0.00668 0.04794 -0.00795 -0.02732 138 3PY -0.01949 0.06199 -0.07584 0.03059 -0.04475 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00583 0.00051 0.00609 0.00162 -0.00537 141 4YY -0.00693 -0.00354 -0.00625 -0.00109 0.00303 142 4ZZ -0.00078 -0.00079 -0.00085 0.00109 -0.00068 143 4XY -0.00465 -0.00343 -0.00068 -0.00004 -0.00589 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.01546 0.01076 0.01831 0.00041 -0.01389 147 2S -0.03265 -0.02323 -0.04037 -0.00353 0.03247 148 2PX -0.10506 0.06726 -0.13102 0.13437 -0.13402 149 2PY -0.11781 -0.18413 -0.01226 -0.06121 -0.07082 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.02089 -0.00491 -0.00131 0.01888 0.04228 152 3PX -0.02160 0.00418 -0.02265 0.05393 -0.05028 153 3PY -0.05887 -0.06948 -0.03653 -0.03172 -0.01707 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00512 -0.00131 0.00643 -0.00086 -0.00156 156 4YY -0.00640 0.00061 -0.00571 0.00206 -0.00303 157 4ZZ 0.00094 0.00063 0.00097 -0.00050 -0.00028 158 4XY -0.00339 -0.00565 -0.00302 -0.00037 -0.00125 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.02244 -0.01263 -0.02243 0.00000 0.00195 162 2S 0.05018 0.02818 0.05006 -0.00000 -0.00230 163 2PX 0.06691 -0.11137 0.09728 -0.13578 0.13378 164 2PY -0.11590 -0.09844 -0.00448 -0.07839 -0.02960 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.05392 0.02492 0.04427 0.00000 -0.00605 167 3PX 0.01709 -0.05796 0.03034 -0.03755 0.02507 168 3PY -0.02961 -0.03120 0.02153 -0.02168 -0.01933 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX -0.00390 -0.00274 -0.00347 -0.00294 0.00599 171 4YY -0.00121 0.00073 -0.00010 0.00294 -0.00784 172 4ZZ -0.00134 -0.00072 -0.00127 0.00000 0.00035 173 4XY -0.00269 -0.00188 -0.00427 0.00196 0.00009 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.01546 0.01008 0.01870 -0.00041 -0.00168 177 2S -0.03265 -0.02247 -0.04080 0.00353 0.00004 178 2PX 0.15455 -0.00018 0.14706 0.01418 -0.09644 179 2PY 0.03208 0.16974 -0.07284 0.14697 -0.02642 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -0.02089 0.00143 -0.00488 -0.01888 0.00363 182 3PX 0.06179 0.00660 0.07194 -0.00051 -0.02747 183 3PY -0.01073 0.02105 -0.03209 0.06256 -0.03213 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.00606 -0.00209 -0.00608 -0.00105 0.00488 186 4YY 0.00479 0.00307 0.00585 -0.00015 -0.00224 187 4ZZ 0.00094 0.00050 0.00104 0.00050 -0.00085 188 4XY 0.00406 0.00586 -0.00087 0.00164 0.00608 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S -0.00615 0.00789 -0.02169 -0.01028 0.03584 192 2S 0.01229 -0.02125 0.04927 0.01833 -0.07626 193 2PX -0.06352 0.04843 -0.09165 0.14675 -0.14668 194 2PY -0.02219 -0.14536 0.04341 -0.07421 -0.06545 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.00372 0.00046 -0.00647 0.07482 -0.14234 197 3PX 0.00801 0.06524 -0.02712 0.02251 -0.04698 198 3PY -0.02510 -0.08099 -0.01965 -0.02218 -0.00811 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX -0.00723 -0.00050 -0.00627 0.00044 0.00163 201 4YY 0.00613 0.00193 0.00360 -0.00097 0.00281 202 4ZZ -0.00078 -0.00032 -0.00112 -0.00109 0.00195 203 4XY 0.00405 0.00482 0.00329 -0.00133 0.00439 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.05586 0.06460 0.03058 -0.01048 0.07291 207 2S 0.04456 0.05328 0.01962 -0.05685 0.08149 208 20 H 1S -0.10312 -0.01497 -0.10035 -0.01140 0.06097 209 2S -0.06726 -0.00752 -0.06281 -0.00686 0.04816 210 21 H 1S -0.05027 -0.00291 -0.00518 -0.00000 -0.05749 211 2S -0.04269 -0.00828 -0.01470 -0.00000 -0.04351 212 22 H 1S -0.10312 -0.07803 -0.06485 0.01140 -0.06336 213 2S -0.06726 -0.04980 -0.03901 0.00686 -0.05261 214 23 H 1S 0.05586 -0.00736 0.07109 0.01048 -0.05973 215 2S 0.04456 -0.01086 0.05573 0.05686 -0.06580 216 24 C 1S 0.03095 0.01777 -0.03002 0.00000 -0.01002 217 2S -0.06436 -0.03485 0.05888 -0.00000 0.02064 218 2PX 0.03369 -0.07524 -0.05332 0.16365 0.17332 219 2PY 0.05835 0.05233 0.01575 -0.09449 -0.00255 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.12381 -0.10200 0.17233 -0.00000 0.04383 222 3PX 0.00187 0.01675 0.05645 0.04788 0.02567 223 3PY 0.00324 -0.05678 0.04699 -0.02764 0.04009 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.00169 0.00027 -0.00291 -0.00495 -0.01073 226 4YY 0.00215 0.00089 0.00097 0.00495 0.01000 227 4ZZ 0.00237 0.00158 -0.00267 0.00000 -0.00060 228 4XY 0.00046 -0.00226 0.00218 -0.00330 -0.00430 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S -0.00615 0.00742 0.02186 0.01028 0.03590 232 2S 0.01229 -0.02017 -0.04972 -0.01833 -0.07638 233 2PX -0.06352 0.04643 0.09268 -0.14675 -0.14612 234 2PY 0.02219 0.14438 0.04656 -0.07421 0.06535 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -0.00372 0.00031 0.00647 -0.07481 -0.14225 237 3PX 0.00801 0.06464 0.02853 -0.02251 -0.04660 238 3PY 0.02510 0.08140 -0.01789 -0.02218 0.00814 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX -0.00723 -0.00064 0.00625 -0.00044 0.00159 241 4YY 0.00613 0.00201 -0.00355 0.00097 0.00284 242 4ZZ -0.00078 -0.00034 0.00111 0.00109 0.00195 243 4XY -0.00405 -0.00489 0.00319 -0.00133 -0.00433 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.01546 0.01048 -0.01847 0.00041 -0.00187 247 2S -0.03265 -0.02335 0.04030 -0.00353 0.00046 248 2PX 0.15455 0.00301 -0.14703 -0.01417 -0.09541 249 2PY -0.03208 -0.16812 -0.07651 0.14697 0.02555 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.02089 0.00132 0.00491 0.01888 0.00420 252 3PX 0.06179 0.00816 -0.07178 0.00051 -0.02713 253 3PY 0.01073 -0.02035 -0.03254 0.06256 0.03189 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX -0.00606 -0.00222 0.00603 0.00105 0.00487 256 4YY 0.00479 0.00320 -0.00578 0.00015 -0.00227 257 4ZZ 0.00094 0.00052 -0.00103 -0.00050 -0.00086 258 4XY -0.00406 -0.00584 -0.00100 0.00164 -0.00612 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S -0.02244 -0.01311 0.02215 0.00000 0.00199 262 2S 0.05018 0.02926 -0.04944 -0.00000 -0.00235 263 2PX 0.06691 -0.10924 -0.09968 0.13578 0.13412 264 2PY 0.11590 0.09852 -0.00234 -0.07839 0.03148 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.05392 0.02588 -0.04371 0.00000 -0.00616 267 3PX 0.01709 -0.05728 -0.03159 0.03755 0.02529 268 3PY 0.02961 0.03072 0.02220 -0.02168 0.01986 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX -0.00390 -0.00281 0.00341 0.00294 0.00597 271 4YY -0.00121 0.00072 0.00011 -0.00294 -0.00786 272 4ZZ -0.00134 -0.00074 0.00125 0.00000 0.00036 273 4XY 0.00269 0.00197 -0.00423 0.00196 -0.00018 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.01546 0.01115 -0.01807 -0.00041 -0.01400 277 2S -0.03265 -0.02410 0.03986 0.00353 0.03268 278 2PX -0.10506 0.06440 0.13245 -0.13437 -0.13397 279 2PY 0.11781 0.18435 -0.00826 -0.06121 0.07037 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.02089 -0.00494 0.00120 -0.01888 0.04261 282 3PX -0.02160 0.00368 0.02273 -0.05393 -0.05007 283 3PY 0.05887 0.07026 -0.03501 -0.03172 0.01708 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX 0.00512 -0.00117 -0.00646 0.00086 -0.00152 286 4YY -0.00640 0.00048 0.00572 -0.00206 -0.00307 287 4ZZ 0.00094 0.00065 -0.00095 0.00050 -0.00029 288 4XY 0.00339 0.00572 -0.00290 -0.00037 0.00117 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.00615 -0.02273 0.00401 -0.01028 -0.01340 292 2S 0.01229 0.05330 -0.00623 0.01833 0.02805 293 2PX 0.05098 -0.04371 -0.09216 -0.00911 -0.09240 294 2PY -0.04391 -0.14485 -0.04873 0.16419 0.08078 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -0.00372 -0.00583 0.00284 0.07482 0.07774 297 3PX 0.01774 0.00772 -0.04778 0.00795 -0.02711 298 3PY 0.01949 -0.06033 -0.07717 0.03059 0.04457 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.00583 0.00065 -0.00608 -0.00162 -0.00533 301 4YY -0.00693 -0.00368 0.00617 0.00109 0.00303 302 4ZZ -0.00078 -0.00081 0.00083 -0.00109 -0.00066 303 4XY 0.00465 0.00344 -0.00061 -0.00004 0.00591 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.05586 -0.00581 -0.07123 -0.01048 -0.05917 307 2S 0.04456 -0.00965 -0.05595 -0.05685 -0.06518 308 31 H 1S -0.10312 -0.07942 0.06314 -0.01140 -0.06299 309 2S -0.06726 -0.05063 0.03792 -0.00686 -0.05233 310 32 H 1S -0.05027 -0.00303 0.00511 -0.00000 -0.05861 311 2S -0.04269 -0.00859 0.01452 -0.00000 -0.04436 312 33 H 1S -0.10312 -0.01715 0.10001 0.01140 0.06055 313 2S -0.06726 -0.00888 0.06263 0.00686 0.04779 314 34 H 1S 0.05586 0.06524 -0.02917 0.01048 0.07262 315 2S 0.04456 0.05369 -0.01846 0.05686 0.08117 46 47 48 49 50 (E')--O (E')--O (E')--O (A")--O (A')--O Eigenvalues -- -0.56410 -0.54079 -0.54079 -0.53085 -0.53036 1 1 C 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 2 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 3 2PX 0.00096 -0.17984 0.00084 0.00000 -0.00000 4 2PY -0.17204 0.00084 0.17984 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.23159 0.00000 6 3S -0.00000 0.00000 0.00000 0.00000 0.00000 7 3PX -0.00008 -0.03332 0.00016 0.00000 -0.00000 8 3PY 0.01407 0.00016 0.03332 0.00000 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.13720 0.00000 10 4XX 0.00006 -0.00669 0.00003 0.00000 0.00000 11 4YY -0.00006 0.00669 -0.00003 0.00000 0.00000 12 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 13 4XY 0.01308 -0.00004 -0.00773 0.00000 -0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 16 2 C 1S -0.00011 -0.01176 0.00006 0.00000 0.00000 17 2S 0.00023 0.03030 -0.00014 0.00000 -0.00000 18 2PX -0.00093 0.20550 -0.00096 0.00000 -0.00000 19 2PY 0.17536 -0.00014 -0.03029 0.00000 -0.02394 20 2PZ 0.00000 0.00000 0.00000 0.18727 0.00000 21 3S 0.00048 -0.00505 0.00002 0.00000 0.00000 22 3PX -0.00052 0.06869 -0.00032 0.00000 0.00000 23 3PY 0.00253 0.00009 0.01954 0.00000 -0.04527 24 3PZ 0.00000 0.00000 0.00000 0.09890 0.00000 25 4XX 0.00002 -0.00261 0.00001 0.00000 0.00000 26 4YY -0.00003 -0.00120 0.00001 0.00000 0.00000 27 4ZZ -0.00001 -0.00041 0.00000 0.00000 0.00000 28 4XY 0.01450 -0.00000 -0.00094 0.00000 0.00319 29 4XZ 0.00000 0.00000 0.00000 -0.00161 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.02843 0.01983 -0.00242 0.00000 -0.00601 32 2S 0.06022 -0.04222 0.00891 0.00000 0.01425 33 2PX -0.02334 -0.01633 0.13796 0.00000 0.11975 34 2PY -0.16175 -0.15493 -0.07303 0.00000 -0.08780 35 2PZ 0.00000 0.00000 0.00000 0.11598 0.00000 36 3S 0.12706 -0.05001 -0.00924 0.00000 0.03071 37 3PX -0.02397 0.00050 0.05608 0.00000 0.01431 38 3PY -0.05225 -0.06197 -0.01390 0.00000 -0.04512 39 3PZ 0.00000 0.00000 0.00000 0.07004 0.00000 40 4XX 0.00355 -0.00185 0.00440 0.00000 0.00408 41 4YY -0.00744 0.00048 -0.00777 0.00000 -0.00795 42 4ZZ -0.00150 0.00118 0.00047 0.00000 -0.00007 43 4XY 0.00232 0.00777 0.00028 0.00000 -0.00192 44 4XZ 0.00000 0.00000 0.00000 -0.00085 0.00000 45 4YZ 0.00000 0.00000 0.00000 -0.00511 0.00000 46 4 C 1S -0.00711 -0.01595 -0.01269 0.00000 -0.01495 47 2S 0.01884 0.03090 0.02897 0.00000 0.03506 48 2PX -0.01114 0.07149 -0.12668 0.00000 -0.10281 49 2PY -0.14315 0.10275 -0.06232 0.00000 -0.14779 50 2PZ 0.00000 0.00000 0.00000 0.08115 0.00000 51 3S 0.02250 0.05887 0.04030 0.00000 0.05823 52 3PX 0.01405 0.03425 -0.02658 0.00000 -0.02874 53 3PY -0.05298 0.02432 -0.03348 0.00000 -0.05291 54 3PZ 0.00000 0.00000 0.00000 0.03906 0.00000 55 4XX 0.00186 -0.00196 0.00237 0.00000 0.00310 56 4YY -0.00603 0.00312 -0.00620 0.00000 -0.00903 57 4ZZ 0.00032 -0.00147 -0.00043 0.00000 -0.00035 58 4XY -0.00109 0.01024 0.00037 0.00000 -0.00312 59 4XZ 0.00000 0.00000 0.00000 -0.00299 0.00000 60 4YZ 0.00000 0.00000 0.00000 -0.00303 0.00000 61 5 C 1S 0.00002 0.02776 -0.00013 0.00000 -0.00000 62 2S -0.00003 -0.05818 0.00027 0.00000 0.00000 63 2PX -0.00104 0.03603 -0.00017 0.00000 0.00000 64 2PY 0.11632 -0.00011 -0.02442 0.00000 0.07256 65 2PZ 0.00000 0.00000 0.00000 0.07100 0.00000 66 3S -0.00007 -0.10271 0.00048 0.00000 -0.00000 67 3PX -0.00033 0.02293 -0.00011 0.00000 0.00000 68 3PY 0.01387 -0.00017 -0.03697 0.00000 0.00117 69 3PZ 0.00000 0.00000 0.00000 0.03929 0.00000 70 4XX -0.00005 -0.00410 0.00002 0.00000 0.00000 71 4YY 0.00003 0.00709 -0.00003 0.00000 -0.00000 72 4ZZ 0.00000 0.00196 -0.00001 0.00000 0.00000 73 4XY -0.00790 -0.00002 -0.00508 0.00000 -0.00959 74 4XZ 0.00000 0.00000 0.00000 -0.00418 0.00000 75 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 76 6 C 1S 0.00694 -0.01583 0.01284 0.00000 0.01495 77 2S -0.01848 0.03063 -0.02926 0.00000 -0.03506 78 2PX 0.01149 0.07268 0.12601 0.00000 0.10281 79 2PY -0.14253 -0.10332 -0.06136 0.00000 -0.14779 80 2PZ 0.00000 0.00000 0.00000 0.08115 0.00000 81 3S -0.02199 0.05849 -0.04085 0.00000 -0.05823 82 3PX -0.01409 0.03450 0.02626 0.00000 0.02874 83 3PY -0.05284 -0.02463 -0.03325 0.00000 -0.05291 84 3PZ 0.00000 0.00000 0.00000 0.03906 0.00000 85 4XX -0.00193 -0.00199 -0.00235 0.00000 -0.00310 86 4YY 0.00608 0.00318 0.00617 0.00000 0.00903 87 4ZZ -0.00033 -0.00147 0.00044 0.00000 0.00035 88 4XY -0.00108 -0.01024 0.00046 0.00000 -0.00312 89 4XZ 0.00000 0.00000 0.00000 -0.00299 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00303 0.00000 91 7 C 1S 0.02868 0.01985 0.00223 0.00000 0.00601 92 2S -0.06076 -0.04230 -0.00852 0.00000 -0.01425 93 2PX 0.02325 -0.01762 -0.13780 0.00000 -0.11975 94 2PY -0.16218 0.15424 -0.07448 0.00000 -0.08780 95 2PZ 0.00000 0.00000 0.00000 0.11598 0.00000 96 3S -0.12777 -0.04992 0.00971 0.00000 -0.03071 97 3PX 0.02387 -0.00003 -0.05609 0.00000 -0.01430 98 3PY -0.05223 0.06184 -0.01448 0.00000 -0.04512 99 3PZ 0.00000 0.00000 0.00000 0.07004 0.00000 100 4XX -0.00350 -0.00189 -0.00438 0.00000 -0.00408 101 4YY 0.00741 0.00056 0.00776 0.00000 0.00795 102 4ZZ 0.00152 0.00118 -0.00048 0.00000 0.00007 103 4XY 0.00233 -0.00777 0.00036 0.00000 -0.00192 104 4XZ 0.00000 0.00000 0.00000 -0.00085 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00511 0.00000 106 8 H 1S 0.07641 -0.07778 0.07022 0.00000 0.05925 107 2S 0.08486 -0.04301 0.05979 0.00000 0.04920 108 9 H 1S 0.07154 0.09744 0.05618 0.00000 0.09849 109 2S 0.05797 0.07679 0.04867 0.00000 0.08781 110 10 H 1S -0.00065 -0.01144 0.00005 0.00000 0.00000 111 2S -0.00049 -0.00467 0.00002 0.00000 -0.00000 112 11 H 1S -0.07157 0.09691 -0.05709 0.00000 -0.09849 113 2S -0.05802 0.07633 -0.04939 0.00000 -0.08781 114 12 H 1S -0.07626 -0.07843 -0.06949 0.00000 -0.05925 115 2S -0.08468 -0.04357 -0.05939 0.00000 -0.04920 116 13 C 1S 0.01724 0.00593 0.01016 0.00000 0.00000 117 2S -0.03553 -0.01527 -0.02617 0.00000 -0.00000 118 2PX 0.00253 0.07445 0.07552 0.00000 0.02074 119 2PY 0.16929 -0.07663 -0.16134 0.00000 0.01197 120 2PZ 0.00000 0.00000 0.00000 0.18727 0.00000 121 3S -0.07543 0.00255 0.00436 0.00000 0.00000 122 3PX -0.03984 0.00269 0.03819 0.00000 0.03921 123 3PY 0.07150 -0.03842 -0.04645 0.00000 0.02264 124 3PZ 0.00000 0.00000 0.00000 0.09890 0.00000 125 4XX -0.00308 0.00017 0.00170 0.00000 0.00239 126 4YY 0.00433 0.00175 0.00160 0.00000 -0.00239 127 4ZZ 0.00103 0.00021 0.00035 0.00000 0.00000 128 4XY 0.00696 0.00005 -0.00085 0.00000 -0.00159 129 4XZ 0.00000 0.00000 0.00000 0.00080 0.00000 130 4YZ 0.00000 0.00000 0.00000 -0.00139 0.00000 131 14 C 1S -0.03350 -0.00800 -0.01831 0.00000 0.00601 132 2S 0.07154 0.01377 0.04089 0.00000 -0.01425 133 2PX -0.09575 0.17791 0.04135 0.00000 0.13591 134 2PY -0.06135 -0.02491 0.12105 0.00000 -0.05980 135 2PZ 0.00000 0.00000 0.00000 0.11598 0.00000 136 3S 0.11861 0.03337 0.03838 0.00000 -0.03071 137 3PX -0.01928 0.06192 0.02607 0.00000 0.04623 138 3PY -0.01607 -0.02032 0.04746 0.00000 0.01017 139 3PZ 0.00000 0.00000 0.00000 0.07004 0.00000 140 4XX -0.00357 0.00727 0.00260 0.00000 0.00350 141 4YY -0.00020 -0.00367 -0.00313 0.00000 0.00036 142 4ZZ -0.00186 -0.00100 -0.00078 0.00000 0.00007 143 4XY 0.00163 0.00255 -0.00737 0.00000 0.00698 144 4XZ 0.00000 0.00000 0.00000 -0.00400 0.00000 145 4YZ 0.00000 0.00000 0.00000 -0.00329 0.00000 146 15 C 1S 0.01017 0.01903 0.00729 0.00000 0.01495 147 2S -0.01928 -0.04065 -0.01190 0.00000 -0.03506 148 2PX -0.00326 -0.03512 -0.04109 0.00000 0.07659 149 2PY -0.03977 0.06377 -0.16915 0.00000 0.16293 150 2PZ 0.00000 0.00000 0.00000 0.08115 0.00000 151 3S -0.02926 -0.06462 -0.03023 0.00000 -0.05823 152 3PX -0.01853 0.01152 -0.01137 0.00000 0.03145 153 3PY 0.00113 0.01300 -0.05623 0.00000 0.05134 154 3PZ 0.00000 0.00000 0.00000 0.03906 0.00000 155 4XX -0.00384 0.00670 0.00282 0.00000 0.00366 156 4YY 0.00349 -0.00398 -0.00576 0.00000 0.00227 157 4ZZ 0.00115 0.00112 0.00105 0.00000 0.00035 158 4XY -0.00693 -0.00036 -0.00869 0.00000 0.00762 159 4XZ 0.00000 0.00000 0.00000 -0.00113 0.00000 160 4YZ 0.00000 0.00000 0.00000 -0.00410 0.00000 161 16 C 1S -0.00342 -0.01399 -0.02398 0.00000 -0.00000 162 2S 0.00404 0.02933 0.05025 0.00000 0.00000 163 2PX -0.03129 0.02734 0.00490 0.00000 -0.06284 164 2PY 0.16939 -0.00519 -0.03310 0.00000 -0.03628 165 2PZ 0.00000 0.00000 0.00000 0.07100 0.00000 166 3S 0.01061 0.05177 0.08871 0.00000 -0.00000 167 3PX -0.01973 0.03343 -0.00623 0.00000 -0.00102 168 3PY 0.04792 0.00595 -0.02647 0.00000 -0.00059 169 3PZ 0.00000 0.00000 0.00000 0.03929 0.00000 170 4XX 0.00147 -0.00545 -0.00178 0.00000 -0.00719 171 4YY 0.00178 0.00395 -0.00079 0.00000 0.00719 172 4ZZ -0.00062 -0.00099 -0.00169 0.00000 0.00000 173 4XY -0.00814 -0.00062 -0.00611 0.00000 0.00479 174 4XZ 0.00000 0.00000 0.00000 0.00209 0.00000 175 4YZ 0.00000 0.00000 0.00000 -0.00362 0.00000 176 17 C 1S 0.01713 -0.00301 0.02015 0.00000 -0.01495 177 2S -0.03776 0.00963 -0.04125 0.00000 0.03506 178 2PX -0.09204 0.16396 0.04936 0.00000 0.17940 179 2PY -0.07809 -0.07330 0.03014 0.00000 -0.01514 180 2PZ 0.00000 0.00000 0.00000 0.08115 0.00000 181 3S -0.05129 0.00547 -0.07113 0.00000 0.05823 182 3PX -0.03013 0.05572 0.01193 0.00000 0.06019 183 3PY -0.02166 -0.01419 -0.01201 0.00000 0.00156 184 3PZ 0.00000 0.00000 0.00000 0.03906 0.00000 185 4XX 0.00129 -0.00804 -0.00636 0.00000 -0.00834 186 4YY 0.00248 0.00415 0.00728 0.00000 0.00241 187 4ZZ 0.00083 0.00036 0.00149 0.00000 -0.00035 188 4XY -0.00373 -0.00258 0.00447 0.00000 -0.00450 189 4XZ 0.00000 0.00000 0.00000 0.00412 0.00000 190 4YZ 0.00000 0.00000 0.00000 -0.00108 0.00000 191 18 C 1S -0.00522 -0.01201 -0.01597 0.00000 -0.00601 192 2S 0.01164 0.02883 0.03210 0.00000 0.01425 193 2PX -0.04944 -0.07614 -0.12040 0.00000 0.01617 194 2PY -0.00798 0.10343 -0.13284 0.00000 0.14760 195 2PZ 0.00000 0.00000 0.00000 0.11598 0.00000 196 3S -0.00758 0.01700 0.04793 0.00000 0.03071 197 3PX -0.03309 -0.04057 -0.03826 0.00000 0.03192 198 3PY 0.00331 0.03237 -0.05497 0.00000 0.03495 199 3PZ 0.00000 0.00000 0.00000 0.07004 0.00000 200 4XX 0.00309 -0.00677 -0.00270 0.00000 -0.00638 201 4YY -0.00300 0.00454 0.00557 0.00000 0.00251 202 4ZZ -0.00036 -0.00019 -0.00126 0.00000 -0.00007 203 4XY 0.00571 -0.00403 0.00547 0.00000 -0.00506 204 4XZ 0.00000 0.00000 0.00000 0.00484 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00182 0.00000 206 19 H 1S 0.02623 -0.02096 0.10267 0.00000 -0.05925 207 2S 0.02821 -0.02965 0.06742 0.00000 -0.04920 208 20 H 1S 0.03753 -0.09789 -0.05538 0.00000 -0.09849 209 2S 0.03263 -0.08094 -0.04141 0.00000 -0.08781 210 21 H 1S 0.10086 0.00577 0.00988 0.00000 0.00000 211 2S 0.07634 0.00236 0.00404 0.00000 -0.00000 212 22 H 1S -0.03333 -0.00007 -0.11247 0.00000 0.09849 213 2S -0.02481 0.00376 -0.09084 0.00000 0.08781 214 23 H 1S -0.04937 0.09970 0.03225 0.00000 0.05925 215 2S -0.05574 0.07329 0.00735 0.00000 0.04920 216 24 C 1S -0.01713 0.00583 -0.01021 0.00000 0.00000 217 2S 0.03530 -0.01503 0.02631 0.00000 -0.00000 218 2PX -0.00446 0.07374 -0.07622 0.00000 -0.02074 219 2PY 0.16933 0.07511 -0.16206 0.00000 0.01197 220 2PZ 0.00000 0.00000 0.00000 0.18727 0.00000 221 3S 0.07495 0.00250 -0.00439 0.00000 0.00000 222 3PX 0.03956 0.00234 -0.03822 0.00000 -0.03921 223 3PY 0.07106 0.03799 -0.04681 0.00000 0.02263 224 3PZ 0.00000 0.00000 0.00000 0.09890 0.00000 225 4XX 0.00320 0.00016 -0.00170 0.00000 -0.00239 226 4YY -0.00444 0.00173 -0.00161 0.00000 0.00239 227 4ZZ -0.00103 0.00020 -0.00035 0.00000 0.00000 228 4XY 0.00700 -0.00006 -0.00085 0.00000 -0.00159 229 4XZ 0.00000 0.00000 0.00000 0.00080 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00139 0.00000 231 25 C 1S 0.00482 -0.01186 0.01608 0.00000 0.00601 232 2S -0.01079 0.02852 -0.03237 0.00000 -0.01425 233 2PX 0.05107 -0.07500 0.12110 0.00000 -0.01617 234 2PY -0.00870 -0.10467 -0.13186 0.00000 0.14760 235 2PZ 0.00000 0.00000 0.00000 0.11598 0.00000 236 3S 0.00917 0.01655 -0.04809 0.00000 -0.03071 237 3PX 0.03361 -0.04021 0.03864 0.00000 -0.03192 238 3PY 0.00321 -0.03289 -0.05466 0.00000 0.03495 239 3PZ 0.00000 0.00000 0.00000 0.07004 0.00000 240 4XX -0.00311 -0.00675 0.00277 0.00000 0.00638 241 4YY 0.00297 0.00449 -0.00561 0.00000 -0.00251 242 4ZZ 0.00034 -0.00018 0.00126 0.00000 0.00007 243 4XY 0.00575 0.00408 0.00543 0.00000 -0.00506 244 4XZ 0.00000 0.00000 0.00000 0.00484 0.00000 245 4YZ 0.00000 0.00000 0.00000 -0.00182 0.00000 246 26 C 1S -0.01711 -0.00320 -0.02012 0.00000 0.01495 247 2S 0.03776 0.01002 0.04115 0.00000 -0.03506 248 2PX 0.09311 0.16349 -0.05089 0.00000 -0.17940 249 2PY -0.07838 0.07358 0.02946 0.00000 -0.01514 250 2PZ 0.00000 0.00000 0.00000 0.08115 0.00000 251 3S 0.05125 0.00613 0.07108 0.00000 -0.05823 252 3PX 0.03043 0.05560 -0.01245 0.00000 -0.06019 253 3PY -0.02202 0.01408 -0.01215 0.00000 0.00156 254 3PZ 0.00000 0.00000 0.00000 0.03906 0.00000 255 4XX -0.00135 -0.00798 0.00644 0.00000 0.00834 256 4YY -0.00245 0.00408 -0.00731 0.00000 -0.00241 257 4ZZ -0.00082 0.00035 -0.00149 0.00000 0.00035 258 4XY -0.00366 0.00262 0.00444 0.00000 -0.00450 259 4XZ 0.00000 0.00000 0.00000 0.00412 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00108 0.00000 261 27 C 1S 0.00340 -0.01377 0.02411 0.00000 -0.00000 262 2S -0.00402 0.02885 -0.05052 0.00000 0.00000 263 2PX 0.02980 0.02730 -0.00516 0.00000 0.06284 264 2PY 0.16905 0.00487 -0.03315 0.00000 -0.03628 265 2PZ 0.00000 0.00000 0.00000 0.07100 0.00000 266 3S -0.01054 0.05094 -0.08919 0.00000 -0.00000 267 3PX 0.01945 0.03349 0.00592 0.00000 0.00102 268 3PY 0.04770 -0.00620 -0.02641 0.00000 -0.00059 269 3PZ 0.00000 0.00000 0.00000 0.03929 0.00000 270 4XX -0.00153 -0.00544 0.00183 0.00000 0.00719 271 4YY -0.00169 0.00396 0.00076 0.00000 -0.00719 272 4ZZ 0.00062 -0.00097 0.00170 0.00000 0.00000 273 4XY -0.00814 0.00057 -0.00612 0.00000 0.00479 274 4XZ 0.00000 0.00000 0.00000 0.00209 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00362 0.00000 276 28 C 1S -0.01002 0.01896 -0.00747 0.00000 -0.01495 277 2S 0.01892 -0.04054 0.01228 0.00000 0.03506 278 2PX 0.00475 -0.03473 0.04142 0.00000 -0.07659 279 2PY -0.04056 -0.06536 -0.16855 0.00000 0.16293 280 2PZ 0.00000 0.00000 0.00000 0.08115 0.00000 281 3S 0.02879 -0.06433 0.03083 0.00000 0.05823 282 3PX 0.01908 0.01163 0.01126 0.00000 -0.03145 283 3PY 0.00094 -0.01352 -0.05610 0.00000 0.05134 284 3PZ 0.00000 0.00000 0.00000 0.03906 0.00000 285 4XX 0.00386 0.00667 -0.00288 0.00000 -0.00366 286 4YY -0.00345 -0.00393 0.00580 0.00000 -0.00227 287 4ZZ -0.00115 0.00111 -0.00106 0.00000 -0.00035 288 4XY -0.00694 0.00028 -0.00869 0.00000 0.00762 289 4XZ 0.00000 0.00000 0.00000 -0.00113 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00410 0.00000 291 29 C 1S 0.03365 -0.00782 0.01838 0.00000 -0.00601 292 2S -0.07186 0.01339 -0.04102 0.00000 0.01425 293 2PX 0.09679 0.17751 -0.04301 0.00000 -0.13591 294 2PY -0.06226 0.02605 0.12081 0.00000 -0.05980 295 2PZ 0.00000 0.00000 0.00000 0.11598 0.00000 296 3S -0.11948 0.03301 -0.03869 0.00000 0.03071 297 3PX 0.01958 0.06167 -0.02665 0.00000 -0.04623 298 3PY -0.01656 0.02077 0.04727 0.00000 0.01017 299 3PZ 0.00000 0.00000 0.00000 0.07004 0.00000 300 4XX 0.00363 0.00724 -0.00267 0.00000 -0.00350 301 4YY 0.00017 -0.00364 0.00317 0.00000 -0.00036 302 4ZZ 0.00187 -0.00099 0.00079 0.00000 -0.00007 303 4XY 0.00156 -0.00262 -0.00734 0.00000 0.00698 304 4XZ 0.00000 0.00000 0.00000 -0.00400 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00329 0.00000 306 30 H 1S 0.05003 0.09939 -0.03318 0.00000 -0.05925 307 2S 0.05647 0.07321 -0.00804 0.00000 -0.04920 308 31 H 1S 0.03404 0.00098 0.11247 0.00000 -0.09849 309 2S 0.02539 0.00461 0.09080 0.00000 -0.08781 310 32 H 1S -0.10022 0.00567 -0.00993 0.00000 0.00000 311 2S -0.07585 0.00232 -0.00406 0.00000 -0.00000 312 33 H 1S -0.03820 -0.09737 0.05630 0.00000 0.09849 313 2S -0.03316 -0.08055 0.04217 0.00000 0.08781 314 34 H 1S -0.02704 -0.02192 -0.10247 0.00000 0.05925 315 2S -0.02911 -0.03028 -0.06714 0.00000 0.04920 51 52 53 54 55 (A')--O (E")--O (E")--O (E')--O (E')--O Eigenvalues -- -0.51417 -0.50144 -0.50144 -0.49917 -0.49917 1 1 C 1S -0.03640 0.00000 -0.00000 0.00000 -0.00000 2 2S 0.08071 0.00000 -0.00000 0.00000 0.00000 3 2PX 0.00000 0.00000 -0.00000 -0.00016 0.09929 4 2PY 0.00000 0.00000 -0.00000 0.09929 0.00016 5 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 6 3S 0.16502 0.00000 -0.00000 -0.00000 -0.00000 7 3PX -0.00000 0.00000 -0.00000 -0.00007 0.04159 8 3PY -0.00000 0.00000 -0.00000 0.04159 0.00007 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.00246 0.00000 -0.00000 0.00000 -0.00189 11 4YY -0.00246 0.00000 -0.00000 -0.00000 0.00189 12 4ZZ -0.00184 0.00000 -0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 -0.00000 0.00218 0.00000 14 4XZ 0.00000 0.00855 -0.00243 0.00000 0.00000 15 4YZ 0.00000 0.00243 0.00855 0.00000 0.00000 16 2 C 1S 0.01629 0.00000 -0.00000 -0.00002 0.00943 17 2S -0.03932 0.00000 -0.00000 0.00004 -0.02362 18 2PX -0.03150 0.00000 -0.00000 0.00010 -0.05900 19 2PY 0.00000 0.00000 -0.00000 0.11819 0.00019 20 2PZ 0.00000 0.18112 -0.05141 0.00000 0.00000 21 3S -0.02349 0.00000 -0.00000 0.00001 -0.00616 22 3PX 0.02457 0.00000 -0.00000 -0.00001 0.00808 23 3PY -0.00000 0.00000 -0.00000 0.09905 0.00016 24 3PZ 0.00000 0.10331 -0.02933 0.00000 0.00000 25 4XX 0.00860 0.00000 -0.00000 -0.00001 0.00863 26 4YY -0.00470 0.00000 -0.00000 0.00001 -0.00606 27 4ZZ 0.00026 0.00000 -0.00000 -0.00000 0.00003 28 4XY -0.00000 0.00000 -0.00000 0.00117 0.00000 29 4XZ 0.00000 0.00794 -0.00226 0.00000 0.00000 30 4YZ 0.00000 0.00031 0.00107 0.00000 0.00000 31 3 C 1S -0.01732 0.00000 -0.00000 -0.00012 -0.00789 32 2S 0.03842 0.00000 -0.00000 0.00345 0.01879 33 2PX 0.12583 0.00000 -0.00000 -0.04127 0.13491 34 2PY -0.00481 0.00000 -0.00000 -0.05481 -0.01912 35 2PZ 0.00000 0.17931 -0.04509 0.00000 0.00000 36 3S 0.05129 0.00000 -0.00000 -0.02365 0.01414 37 3PX 0.06095 0.00000 -0.00000 0.01347 0.05167 38 3PY 0.01402 0.00000 -0.00000 0.01677 0.00313 39 3PZ 0.00000 0.10608 -0.02015 0.00000 0.00000 40 4XX 0.00124 0.00000 -0.00000 0.00113 0.00305 41 4YY -0.00445 0.00000 -0.00000 -0.00181 -0.00620 42 4ZZ -0.00084 0.00000 -0.00000 0.00053 -0.00020 43 4XY -0.00036 0.00000 -0.00000 0.00941 0.00057 44 4XZ 0.00000 0.00364 -0.00135 0.00000 0.00000 45 4YZ 0.00000 -0.00632 0.00206 0.00000 0.00000 46 4 C 1S 0.01144 0.00000 -0.00000 0.00595 0.00441 47 2S -0.02124 0.00000 -0.00000 -0.01697 -0.00784 48 2PX -0.14479 0.00000 -0.00000 0.00634 -0.13920 49 2PY 0.01136 0.00000 -0.00000 0.19327 0.01622 50 2PZ 0.00000 0.17574 -0.04652 0.00000 0.00000 51 3S -0.06620 0.00000 -0.00000 -0.02013 -0.02664 52 3PX -0.03459 0.00000 -0.00000 0.00275 -0.04209 53 3PY 0.00908 0.00000 -0.00000 0.05558 0.00645 54 3PZ 0.00000 0.09801 -0.02834 0.00000 0.00000 55 4XX 0.00859 0.00000 -0.00000 -0.00242 0.00724 56 4YY -0.00985 0.00000 -0.00000 0.00808 -0.00887 57 4ZZ 0.00111 0.00000 -0.00000 -0.00025 0.00043 58 4XY -0.00148 0.00000 -0.00000 0.01075 -0.00020 59 4XZ 0.00000 -0.00405 0.00109 0.00000 0.00000 60 4YZ 0.00000 -0.00699 0.00202 0.00000 0.00000 61 5 C 1S -0.00331 0.00000 -0.00000 -0.00000 0.00215 62 2S -0.00097 0.00000 -0.00000 0.00002 -0.01127 63 2PX 0.19330 0.00000 -0.00000 -0.00027 0.16695 64 2PY 0.00000 0.00000 -0.00000 -0.18814 -0.00031 65 2PZ 0.00000 0.17504 -0.04969 0.00000 0.00000 66 3S 0.03787 0.00000 -0.00000 -0.00002 0.01067 67 3PX 0.04180 0.00000 -0.00000 -0.00007 0.04285 68 3PY 0.00000 0.00000 -0.00000 -0.06388 -0.00010 69 3PZ 0.00000 0.09654 -0.02740 0.00000 0.00000 70 4XX 0.01628 0.00000 -0.00000 -0.00002 0.01470 71 4YY -0.01061 0.00000 -0.00000 0.00001 -0.00908 72 4ZZ -0.00135 0.00000 -0.00000 0.00000 -0.00081 73 4XY 0.00000 0.00000 -0.00000 0.01034 0.00002 74 4XZ 0.00000 -0.00866 0.00246 0.00000 0.00000 75 4YZ 0.00000 0.00007 0.00025 0.00000 0.00000 76 6 C 1S 0.01144 0.00000 -0.00000 -0.00597 0.00439 77 2S -0.02124 0.00000 -0.00000 0.01700 -0.00778 78 2PX -0.14479 0.00000 -0.00000 -0.00588 -0.13922 79 2PY -0.01136 0.00000 -0.00000 0.19333 -0.01559 80 2PZ 0.00000 0.17397 -0.05275 0.00000 0.00000 81 3S -0.06620 0.00000 -0.00000 0.02022 -0.02657 82 3PX -0.03459 0.00000 -0.00000 -0.00261 -0.04210 83 3PY -0.00908 0.00000 -0.00000 0.05560 -0.00627 84 3PZ 0.00000 0.09828 -0.02738 0.00000 0.00000 85 4XX 0.00859 0.00000 -0.00000 0.00240 0.00725 86 4YY -0.00985 0.00000 -0.00000 -0.00806 -0.00890 87 4ZZ 0.00111 0.00000 -0.00000 0.00025 0.00043 88 4XY 0.00148 0.00000 -0.00000 0.01075 0.00024 89 4XZ 0.00000 -0.00402 0.00120 0.00000 0.00000 90 4YZ 0.00000 0.00701 -0.00196 0.00000 0.00000 91 7 C 1S -0.01732 0.00000 -0.00000 0.00015 -0.00789 92 2S 0.03842 0.00000 -0.00000 -0.00351 0.01878 93 2PX 0.12583 0.00000 -0.00000 0.04083 0.13505 94 2PY 0.00481 0.00000 -0.00000 -0.05487 0.01894 95 2PZ 0.00000 0.17626 -0.05584 0.00000 0.00000 96 3S 0.05129 0.00000 -0.00000 0.02361 0.01422 97 3PX 0.06095 0.00000 -0.00000 -0.01364 0.05163 98 3PY -0.01402 0.00000 -0.00000 0.01678 -0.00308 99 3PZ 0.00000 0.10084 -0.03859 0.00000 0.00000 100 4XX 0.00124 0.00000 -0.00000 -0.00114 0.00305 101 4YY -0.00445 0.00000 -0.00000 0.00183 -0.00619 102 4ZZ -0.00084 0.00000 -0.00000 -0.00053 -0.00020 103 4XY 0.00036 0.00000 -0.00000 0.00941 -0.00054 104 4XZ 0.00000 0.00380 -0.00077 0.00000 0.00000 105 4YZ 0.00000 0.00646 -0.00157 0.00000 0.00000 106 8 H 1S -0.03064 0.00000 -0.00000 0.05253 -0.04680 107 2S -0.04031 0.00000 -0.00000 0.06209 -0.04506 108 9 H 1S -0.05376 0.00000 -0.00000 -0.11538 -0.04243 109 2S -0.04608 0.00000 -0.00000 -0.11068 -0.03782 110 10 H 1S 0.13621 0.00000 -0.00000 -0.00019 0.11585 111 2S 0.12431 0.00000 -0.00000 -0.00018 0.10946 112 11 H 1S -0.05376 0.00000 -0.00000 0.11552 -0.04205 113 2S -0.04608 0.00000 -0.00000 0.11081 -0.03746 114 12 H 1S -0.03064 0.00000 -0.00000 -0.05238 -0.04697 115 2S -0.04031 0.00000 -0.00000 -0.06194 -0.04526 116 13 C 1S 0.01629 0.00000 -0.00000 0.00817 -0.00470 117 2S -0.03932 0.00000 -0.00000 -0.02047 0.01178 118 2PX 0.01575 0.00000 -0.00000 0.07660 0.07402 119 2PY -0.02728 0.00000 -0.00000 -0.01483 0.07670 120 2PZ 0.00000 -0.04603 0.18256 0.00000 0.00000 121 3S -0.02349 0.00000 -0.00000 -0.00534 0.00307 122 3PX -0.01228 0.00000 -0.00000 0.03926 0.07637 123 3PY 0.02128 0.00000 -0.00000 0.03076 0.03944 124 3PZ 0.00000 -0.02626 0.10413 0.00000 0.00000 125 4XX -0.00137 0.00000 -0.00000 -0.00251 0.00043 126 4YY 0.00528 0.00000 -0.00000 0.00474 -0.00171 127 4ZZ 0.00026 0.00000 -0.00000 0.00003 -0.00002 128 4XY -0.00665 0.00000 -0.00000 -0.00608 0.00417 129 4XZ 0.00000 0.00195 -0.00377 0.00000 0.00000 130 4YZ 0.00000 -0.00121 0.00707 0.00000 0.00000 131 14 C 1S -0.01732 0.00000 -0.00000 -0.00691 0.00382 132 2S 0.03842 0.00000 -0.00000 0.01802 -0.00635 133 2PX -0.06708 0.00000 -0.00000 -0.08624 0.01849 134 2PY 0.10657 0.00000 -0.00000 0.06169 -0.10812 135 2PZ 0.00000 -0.03977 0.18057 0.00000 0.00000 136 3S 0.05129 0.00000 -0.00000 0.00051 -0.02756 137 3PX -0.01834 0.00000 -0.00000 -0.01619 0.01825 138 3PY 0.05980 0.00000 -0.00000 0.05015 -0.00563 139 3PZ 0.00000 -0.01700 0.10663 0.00000 0.00000 140 4XX -0.00276 0.00000 -0.00000 -0.00779 -0.00492 141 4YY -0.00045 0.00000 -0.00000 0.00472 0.00589 142 4ZZ -0.00084 0.00000 -0.00000 0.00009 0.00056 143 4XY -0.00303 0.00000 -0.00000 -0.00216 0.00496 144 4XZ 0.00000 0.00224 -0.00736 0.00000 0.00000 145 4YZ 0.00000 -0.00014 -0.00001 0.00000 0.00000 146 15 C 1S 0.01144 0.00000 -0.00000 0.00678 0.00297 147 2S -0.02124 0.00000 -0.00000 -0.01524 -0.01083 148 2PX 0.08223 0.00000 -0.00000 0.15422 0.10089 149 2PY -0.11972 0.00000 -0.00000 -0.04679 0.14451 150 2PZ 0.00000 -0.04130 0.17704 0.00000 0.00000 151 3S -0.06620 0.00000 -0.00000 -0.03312 -0.00423 152 3PX 0.02516 0.00000 -0.00000 0.04636 0.02733 153 3PY -0.02542 0.00000 -0.00000 -0.01383 0.04269 154 3PZ 0.00000 -0.02543 0.09880 0.00000 0.00000 155 4XX -0.00413 0.00000 -0.00000 -0.00537 0.00007 156 4YY 0.00287 0.00000 -0.00000 0.00677 0.00565 157 4ZZ 0.00111 0.00000 -0.00000 0.00025 -0.00043 158 4XY -0.00996 0.00000 -0.00000 -0.00179 0.01328 159 4XZ 0.00000 0.00108 -0.00406 0.00000 0.00000 160 4YZ 0.00000 0.00174 -0.00706 0.00000 0.00000 161 16 C 1S -0.00331 0.00000 -0.00000 0.00186 -0.00107 162 2S -0.00097 0.00000 -0.00000 -0.00977 0.00562 163 2PX -0.09665 0.00000 -0.00000 -0.15360 -0.09962 164 2PY 0.16740 0.00000 -0.00000 0.07843 -0.15363 165 2PZ 0.00000 -0.04449 0.17643 0.00000 0.00000 166 3S 0.03787 0.00000 -0.00000 0.00925 -0.00532 167 3PX -0.02090 0.00000 -0.00000 -0.04615 -0.03728 168 3PY 0.03620 0.00000 -0.00000 0.01624 -0.04619 169 3PZ 0.00000 -0.02454 0.09731 0.00000 0.00000 170 4XX -0.00388 0.00000 -0.00000 -0.00658 -0.00516 171 4YY 0.00956 0.00000 -0.00000 0.01145 0.00236 172 4ZZ -0.00135 0.00000 -0.00000 -0.00070 0.00040 173 4XY -0.01344 0.00000 -0.00000 -0.00773 0.01041 174 4XZ 0.00000 -0.00088 0.00442 0.00000 0.00000 175 4YZ 0.00000 0.00203 -0.00753 0.00000 0.00000 176 17 C 1S 0.01144 0.00000 -0.00000 0.00084 -0.00736 177 2S -0.02124 0.00000 -0.00000 0.00170 0.01862 178 2PX 0.06256 0.00000 -0.00000 0.13339 0.11992 179 2PY -0.13107 0.00000 -0.00000 -0.06586 0.14327 180 2PZ 0.00000 -0.04758 0.17545 0.00000 0.00000 181 3S -0.06620 0.00000 -0.00000 -0.01300 0.03075 182 3PX 0.00944 0.00000 -0.00000 0.03814 0.03514 183 3PY -0.03450 0.00000 -0.00000 -0.02166 0.04185 184 3PZ 0.00000 -0.02447 0.09905 0.00000 0.00000 185 4XX -0.00635 0.00000 -0.00000 -0.01109 -0.00922 186 4YY 0.00509 0.00000 -0.00000 0.00684 0.00513 187 4ZZ 0.00111 0.00000 -0.00000 0.00050 -0.00000 188 4XY -0.00848 0.00000 -0.00000 -0.00683 0.00408 189 4XZ 0.00000 -0.00206 0.00814 0.00000 0.00000 190 4YZ 0.00000 0.00007 0.00002 0.00000 0.00000 191 18 C 1S -0.01732 0.00000 -0.00000 -0.00677 0.00405 192 2S 0.03842 0.00000 -0.00000 0.01455 -0.01239 193 2PX -0.05875 0.00000 -0.00000 -0.07813 -0.03353 194 2PY 0.11138 0.00000 -0.00000 0.11363 -0.05598 195 2PZ 0.00000 -0.05060 0.17784 0.00000 0.00000 196 3S 0.05129 0.00000 -0.00000 0.02408 0.01341 197 3PX -0.04262 0.00000 -0.00000 -0.01409 0.03268 198 3PY 0.04578 0.00000 -0.00000 0.03576 -0.02443 199 3PZ 0.00000 -0.03559 0.10194 0.00000 0.00000 200 4XX -0.00330 0.00000 -0.00000 -0.00599 -0.00345 201 4YY 0.00009 0.00000 -0.00000 0.00360 0.00562 202 4ZZ -0.00084 0.00000 -0.00000 -0.00044 -0.00036 203 4XY -0.00267 0.00000 -0.00000 -0.00116 0.00781 204 4XZ 0.00000 -0.00087 0.00372 0.00000 0.00000 205 4YZ 0.00000 -0.00125 0.00656 0.00000 0.00000 206 19 H 1S -0.03064 0.00000 -0.00000 -0.01449 0.06884 207 2S -0.04031 0.00000 -0.00000 -0.00823 0.07627 208 20 H 1S -0.05376 0.00000 -0.00000 -0.09418 -0.07902 209 2S -0.04608 0.00000 -0.00000 -0.08784 -0.07723 210 21 H 1S 0.13621 0.00000 -0.00000 0.10043 -0.05776 211 2S 0.12431 0.00000 -0.00000 0.09488 -0.05457 212 22 H 1S -0.05376 0.00000 -0.00000 0.02095 0.12114 213 2S -0.04608 0.00000 -0.00000 0.02259 0.11477 214 23 H 1S -0.03064 0.00000 -0.00000 -0.06679 -0.02210 215 2S -0.04031 0.00000 -0.00000 -0.07007 -0.03124 216 24 C 1S 0.01629 0.00000 -0.00000 -0.00816 -0.00473 217 2S -0.03932 0.00000 -0.00000 0.02044 0.01184 218 2PX 0.01575 0.00000 -0.00000 -0.07685 0.07376 219 2PY 0.02728 0.00000 -0.00000 -0.01458 -0.07675 220 2PZ 0.00000 -0.13508 -0.13115 0.00000 0.00000 221 3S -0.02349 0.00000 -0.00000 0.00533 0.00309 222 3PX -0.01228 0.00000 -0.00000 -0.03951 0.07624 223 3PY -0.02127 0.00000 -0.00000 0.03089 -0.03934 224 3PZ 0.00000 -0.07705 -0.07481 0.00000 0.00000 225 4XX -0.00137 0.00000 -0.00000 0.00251 0.00044 226 4YY 0.00528 0.00000 -0.00000 -0.00473 -0.00173 227 4ZZ 0.00026 0.00000 -0.00000 -0.00003 -0.00002 228 4XY 0.00665 0.00000 -0.00000 -0.00606 -0.00419 229 4XZ 0.00000 0.00364 0.00218 0.00000 0.00000 230 4YZ 0.00000 0.00474 0.00538 0.00000 0.00000 231 25 C 1S -0.01732 0.00000 -0.00000 0.00676 0.00407 232 2S 0.03842 0.00000 -0.00000 -0.01451 -0.01243 233 2PX -0.05875 0.00000 -0.00000 0.07824 -0.03327 234 2PY -0.11138 0.00000 -0.00000 0.11345 0.05635 235 2PZ 0.00000 -0.13649 -0.12473 0.00000 0.00000 236 3S 0.05129 0.00000 -0.00000 -0.02412 0.01333 237 3PX -0.04262 0.00000 -0.00000 0.01399 0.03273 238 3PY -0.04578 0.00000 -0.00000 0.03568 0.02455 239 3PZ 0.00000 -0.08384 -0.06804 0.00000 0.00000 240 4XX -0.00330 0.00000 -0.00000 0.00600 -0.00343 241 4YY 0.00009 0.00000 -0.00000 -0.00362 0.00560 242 4ZZ -0.00084 0.00000 -0.00000 0.00044 -0.00036 243 4XY 0.00267 0.00000 -0.00000 -0.00113 -0.00781 244 4XZ 0.00000 -0.00269 -0.00271 0.00000 0.00000 245 4YZ 0.00000 0.00451 0.00492 0.00000 0.00000 246 26 C 1S 0.01144 0.00000 -0.00000 -0.00082 -0.00736 247 2S -0.02124 0.00000 -0.00000 -0.00176 0.01861 248 2PX 0.06256 0.00000 -0.00000 -0.13378 0.11948 249 2PY 0.13107 0.00000 -0.00000 -0.06538 -0.14348 250 2PZ 0.00000 -0.13267 -0.12429 0.00000 0.00000 251 3S -0.06620 0.00000 -0.00000 0.01290 0.03080 252 3PX 0.00944 0.00000 -0.00000 -0.03825 0.03502 253 3PY 0.03450 0.00000 -0.00000 -0.02152 -0.04192 254 3PZ 0.00000 -0.07285 -0.07142 0.00000 0.00000 255 4XX -0.00635 0.00000 -0.00000 0.01112 -0.00918 256 4YY 0.00509 0.00000 -0.00000 -0.00686 0.00510 257 4ZZ 0.00111 0.00000 -0.00000 -0.00050 -0.00000 258 4XY 0.00848 0.00000 -0.00000 -0.00681 -0.00411 259 4XZ 0.00000 -0.00603 -0.00585 0.00000 0.00000 260 4YZ 0.00000 -0.00005 0.00005 0.00000 0.00000 261 27 C 1S -0.00331 0.00000 -0.00000 -0.00186 -0.00108 262 2S -0.00097 0.00000 -0.00000 0.00975 0.00565 263 2PX -0.09665 0.00000 -0.00000 0.15393 -0.09912 264 2PY -0.16740 0.00000 -0.00000 0.07793 0.15389 265 2PZ 0.00000 -0.13055 -0.12675 0.00000 0.00000 266 3S 0.03787 0.00000 -0.00000 -0.00923 -0.00535 267 3PX -0.02090 0.00000 -0.00000 0.04628 -0.03713 268 3PY -0.03620 0.00000 -0.00000 0.01609 0.04624 269 3PZ 0.00000 -0.07200 -0.06990 0.00000 0.00000 270 4XX -0.00388 0.00000 -0.00000 0.00660 -0.00513 271 4YY 0.00956 0.00000 -0.00000 -0.01146 0.00232 272 4ZZ -0.00135 0.00000 -0.00000 0.00070 0.00041 273 4XY 0.01344 0.00000 -0.00000 -0.00769 -0.01043 274 4XZ 0.00000 -0.00307 -0.00330 0.00000 0.00000 275 4YZ 0.00000 -0.00569 -0.00534 0.00000 0.00000 276 28 C 1S 0.01144 0.00000 -0.00000 -0.00679 0.00295 277 2S -0.02124 0.00000 -0.00000 0.01528 -0.01078 278 2PX 0.08223 0.00000 -0.00000 -0.15455 0.10038 279 2PY 0.11972 0.00000 -0.00000 -0.04631 -0.14467 280 2PZ 0.00000 -0.12815 -0.12893 0.00000 0.00000 281 3S -0.06620 0.00000 -0.00000 0.03313 -0.00412 282 3PX 0.02516 0.00000 -0.00000 -0.04645 0.02718 283 3PY 0.02542 0.00000 -0.00000 -0.01369 -0.04274 284 3PZ 0.00000 -0.07354 -0.07071 0.00000 0.00000 285 4XX -0.00413 0.00000 -0.00000 0.00537 0.00009 286 4YY 0.00287 0.00000 -0.00000 -0.00679 0.00563 287 4ZZ 0.00111 0.00000 -0.00000 -0.00025 -0.00043 288 4XY 0.00996 0.00000 -0.00000 -0.00175 -0.01328 289 4XZ 0.00000 0.00305 0.00289 0.00000 0.00000 290 4YZ 0.00000 -0.00519 -0.00509 0.00000 0.00000 291 29 C 1S -0.01732 0.00000 -0.00000 0.00689 0.00384 292 2S 0.03842 0.00000 -0.00000 -0.01800 -0.00640 293 2PX -0.06708 0.00000 -0.00000 0.08617 0.01877 294 2PY -0.10657 0.00000 -0.00000 0.06133 0.10833 295 2PZ 0.00000 -0.12871 -0.13274 0.00000 0.00000 296 3S 0.05129 0.00000 -0.00000 -0.00042 -0.02756 297 3PX -0.01834 0.00000 -0.00000 0.01613 0.01831 298 3PY -0.05979 0.00000 -0.00000 0.05013 0.00579 299 3PZ 0.00000 -0.07049 -0.08179 0.00000 0.00000 300 4XX -0.00276 0.00000 -0.00000 0.00780 -0.00489 301 4YY -0.00045 0.00000 -0.00000 -0.00474 0.00587 302 4ZZ -0.00084 0.00000 -0.00000 -0.00009 0.00056 303 4XY 0.00303 0.00000 -0.00000 -0.00214 -0.00497 304 4XZ 0.00000 0.00577 0.00509 0.00000 0.00000 305 4YZ 0.00000 0.00011 -0.00008 0.00000 0.00000 306 30 H 1S -0.03064 0.00000 -0.00000 0.06686 -0.02188 307 2S -0.04031 0.00000 -0.00000 0.07017 -0.03101 308 31 H 1S -0.05376 0.00000 -0.00000 -0.02135 0.12107 309 2S -0.04608 0.00000 -0.00000 -0.02296 0.11469 310 32 H 1S 0.13621 0.00000 -0.00000 -0.10024 -0.05809 311 2S 0.12431 0.00000 -0.00000 -0.09470 -0.05488 312 33 H 1S -0.05376 0.00000 -0.00000 0.09444 -0.07871 313 2S -0.04608 0.00000 -0.00000 0.08810 -0.07694 314 34 H 1S -0.03064 0.00000 -0.00000 0.01426 0.06889 315 2S -0.04031 0.00000 -0.00000 0.00798 0.07630 56 57 58 59 60 (E')--O (E')--O (A")--O (A')--O (E")--O Eigenvalues -- -0.46087 -0.46087 -0.44776 -0.44617 -0.39273 1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 3 2PX 0.00405 0.15615 0.00000 0.00000 0.00000 4 2PY 0.15615 -0.00405 0.00000 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.26425 0.00000 -0.00000 6 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 7 3PX 0.00190 0.07317 0.00000 -0.00000 0.00000 8 3PY 0.07317 -0.00190 0.00000 0.00000 0.00000 9 3PZ 0.00000 0.00000 0.18140 0.00000 -0.00000 10 4XX 0.00026 0.01020 0.00000 -0.00000 0.00000 11 4YY -0.00026 -0.01020 0.00000 -0.00000 0.00000 12 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 13 4XY -0.01178 0.00031 0.00000 -0.00000 0.00000 14 4XZ 0.00000 0.00000 -0.00000 0.00000 0.01332 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00061 16 2 C 1S -0.00034 -0.01293 0.00000 -0.00000 0.00000 17 2S 0.00069 0.02676 0.00000 0.00000 0.00000 18 2PX -0.00302 -0.11663 0.00000 0.00000 0.00000 19 2PY -0.14845 0.00385 0.00000 -0.14549 0.00000 20 2PZ 0.00000 0.00000 0.11982 0.00000 0.21196 21 3S 0.00147 0.05663 0.00000 0.00000 0.00000 22 3PX -0.00025 -0.00966 0.00000 -0.00000 0.00000 23 3PY -0.05599 0.00145 0.00000 -0.03281 0.00000 24 3PZ 0.00000 0.00000 0.07522 0.00000 0.15177 25 4XX 0.00032 0.01246 0.00000 -0.00000 0.00000 26 4YY -0.00033 -0.01270 0.00000 -0.00000 0.00000 27 4ZZ -0.00002 -0.00069 0.00000 -0.00000 0.00000 28 4XY -0.01068 0.00028 0.00000 -0.00781 0.00000 29 4XZ 0.00000 0.00000 -0.00968 0.00000 0.00282 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00053 31 3 C 1S 0.00477 0.01364 0.00000 -0.00184 0.00000 32 2S -0.01401 -0.02603 0.00000 -0.00010 0.00000 33 2PX 0.01100 0.17067 0.00000 -0.02950 0.00000 34 2PY 0.15026 -0.07393 0.00000 0.18118 0.00000 35 2PZ 0.00000 0.00000 -0.02529 0.00000 0.09490 36 3S -0.00675 -0.07456 0.00000 0.01367 0.00000 37 3PX 0.02088 0.05905 0.00000 0.01822 0.00000 38 3PY 0.04614 -0.02663 0.00000 0.07192 0.00000 39 3PZ 0.00000 0.00000 -0.01444 0.00000 0.06958 40 4XX -0.00322 0.00615 0.00000 -0.00478 0.00000 41 4YY 0.00796 -0.01053 0.00000 0.01084 0.00000 42 4ZZ -0.00045 0.00098 0.00000 -0.00066 0.00000 43 4XY -0.01004 0.00365 0.00000 -0.01078 0.00000 44 4XZ 0.00000 0.00000 -0.00842 0.00000 -0.00856 45 4YZ 0.00000 0.00000 -0.00198 0.00000 -0.00538 46 4 C 1S 0.00184 -0.00695 0.00000 0.00673 0.00000 47 2S 0.00012 0.01476 0.00000 -0.01065 0.00000 48 2PX 0.02275 -0.14110 0.00000 0.04926 0.00000 49 2PY -0.12072 0.03077 0.00000 -0.10378 0.00000 50 2PZ 0.00000 0.00000 -0.13728 0.00000 -0.09887 51 3S -0.03152 0.02896 0.00000 -0.05533 0.00000 52 3PX 0.01697 -0.05418 0.00000 0.03200 0.00000 53 3PY -0.03283 0.00592 0.00000 -0.02957 0.00000 54 3PZ 0.00000 0.00000 -0.08868 0.00000 -0.07035 55 4XX 0.00125 0.00528 0.00000 0.00096 0.00000 56 4YY -0.00448 -0.00774 0.00000 -0.00304 0.00000 57 4ZZ 0.00056 -0.00051 0.00000 0.00077 0.00000 58 4XY -0.01120 0.00336 0.00000 -0.01180 0.00000 59 4XZ 0.00000 0.00000 -0.00162 0.00000 -0.00700 60 4YZ 0.00000 0.00000 0.00638 0.00000 0.00644 61 5 C 1S 0.00033 0.01254 0.00000 -0.00000 0.00000 62 2S -0.00085 -0.03262 0.00000 0.00000 0.00000 63 2PX 0.00372 0.14330 0.00000 -0.00000 0.00000 64 2PY 0.14817 -0.00384 0.00000 0.14676 0.00000 65 2PZ 0.00000 0.00000 -0.18177 0.00000 -0.20006 66 3S -0.00098 -0.03770 0.00000 0.00000 0.00000 67 3PX 0.00120 0.04626 0.00000 -0.00000 0.00000 68 3PY 0.06133 -0.00159 0.00000 0.06414 0.00000 69 3PZ 0.00000 0.00000 -0.10874 0.00000 -0.13397 70 4XX 0.00036 0.01385 0.00000 -0.00000 0.00000 71 4YY -0.00019 -0.00727 0.00000 0.00000 0.00000 72 4ZZ -0.00000 -0.00008 0.00000 0.00000 0.00000 73 4XY -0.00565 0.00015 0.00000 -0.00393 0.00000 74 4XZ 0.00000 0.00000 0.00637 0.00000 0.00444 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00047 76 6 C 1S -0.00219 -0.00685 0.00000 -0.00673 0.00000 77 2S 0.00065 0.01474 0.00000 0.01065 0.00000 78 2PX -0.03003 -0.13973 0.00000 -0.04926 0.00000 79 2PY -0.12215 -0.02447 0.00000 -0.10378 0.00000 80 2PZ 0.00000 0.00000 -0.13728 0.00000 -0.11348 81 3S 0.03298 0.02729 0.00000 0.05533 0.00000 82 3PX -0.01976 -0.05323 0.00000 -0.03200 0.00000 83 3PY -0.03309 -0.00421 0.00000 -0.02957 0.00000 84 3PZ 0.00000 0.00000 -0.08868 0.00000 -0.07981 85 4XX -0.00097 0.00534 0.00000 -0.00096 0.00000 86 4YY 0.00407 -0.00796 0.00000 0.00304 0.00000 87 4ZZ -0.00058 -0.00048 0.00000 -0.00077 0.00000 88 4XY -0.01135 -0.00277 0.00000 -0.01180 0.00000 89 4XZ 0.00000 0.00000 -0.00162 0.00000 -0.00645 90 4YZ 0.00000 0.00000 -0.00638 0.00000 -0.00640 91 7 C 1S -0.00406 0.01387 0.00000 0.00184 0.00000 92 2S 0.01264 -0.02672 0.00000 0.00010 0.00000 93 2PX -0.00214 0.17101 0.00000 0.02950 0.00000 94 2PY 0.15389 0.06604 0.00000 0.18118 0.00000 95 2PZ 0.00000 0.00000 -0.02529 0.00000 0.07919 96 3S 0.00288 -0.07481 0.00000 -0.01367 0.00000 97 3PX -0.01779 0.06006 0.00000 -0.01822 0.00000 98 3PY 0.04746 0.02420 0.00000 0.07192 0.00000 99 3PZ 0.00000 0.00000 -0.01444 0.00000 0.05722 100 4XX 0.00354 0.00598 0.00000 0.00478 0.00000 101 4YY -0.00849 -0.01010 0.00000 -0.01084 0.00000 102 4ZZ 0.00050 0.00096 0.00000 0.00066 0.00000 103 4XY -0.01022 -0.00312 0.00000 -0.01078 0.00000 104 4XZ 0.00000 0.00000 -0.00842 0.00000 -0.00902 105 4YZ 0.00000 0.00000 0.00198 0.00000 0.00553 106 8 H 1S -0.09725 -0.07383 0.00000 -0.10850 0.00000 107 2S -0.09970 -0.05791 0.00000 -0.10841 0.00000 108 9 H 1S 0.07710 -0.02467 0.00000 0.06696 0.00000 109 2S 0.08019 -0.02416 0.00000 0.07141 0.00000 110 10 H 1S 0.00248 0.09545 0.00000 -0.00000 0.00000 111 2S 0.00261 0.10078 0.00000 0.00000 0.00000 112 11 H 1S -0.07827 -0.02064 0.00000 -0.06696 0.00000 113 2S -0.08133 -0.01997 0.00000 -0.07141 0.00000 114 12 H 1S 0.09329 -0.07877 0.00000 0.10850 0.00000 115 2S 0.09656 -0.06300 0.00000 0.10841 0.00000 116 13 C 1S -0.01103 0.00676 0.00000 -0.00000 0.00000 117 2S 0.02282 -0.01398 0.00000 0.00000 0.00000 118 2PX -0.01742 -0.14014 0.00000 0.12600 0.00000 119 2PY -0.12495 -0.01055 0.00000 0.07275 0.00000 120 2PZ 0.00000 0.00000 0.11982 0.00000 -0.09754 121 3S 0.04831 -0.02959 0.00000 0.00000 0.00000 122 3PX -0.02121 -0.04389 0.00000 0.02841 0.00000 123 3PY -0.02176 -0.01951 0.00000 0.01640 0.00000 124 3PZ 0.00000 0.00000 0.07522 0.00000 -0.06984 125 4XX -0.00128 0.01018 0.00000 -0.00586 0.00000 126 4YY 0.00108 -0.01006 0.00000 0.00586 0.00000 127 4ZZ -0.00059 0.00036 0.00000 -0.00000 0.00000 128 4XY -0.01352 0.00202 0.00000 0.00391 0.00000 129 4XZ 0.00000 0.00000 0.00484 0.00000 0.00955 130 4YZ 0.00000 0.00000 -0.00838 0.00000 0.00402 131 14 C 1S 0.01404 -0.00342 0.00000 0.00184 0.00000 132 2S -0.02946 0.00242 0.00000 0.00010 0.00000 133 2PX -0.05748 0.18585 0.00000 -0.17166 0.00000 134 2PY 0.13906 0.01070 0.00000 -0.06505 0.00000 135 2PZ 0.00000 0.00000 -0.02529 0.00000 0.11187 136 3S -0.06622 0.03491 0.00000 -0.01367 0.00000 137 3PX -0.02805 0.05338 0.00000 -0.05318 0.00000 138 3PY 0.05413 0.01394 0.00000 -0.05174 0.00000 139 3PZ 0.00000 0.00000 -0.01444 0.00000 0.09034 140 4XX -0.00072 0.01560 0.00000 -0.01502 0.00000 141 4YY -0.00037 -0.00924 0.00000 0.00896 0.00000 142 4ZZ 0.00058 -0.00091 0.00000 0.00066 0.00000 143 4XY -0.00516 0.00402 0.00000 -0.00243 0.00000 144 4XZ 0.00000 0.00000 0.00250 0.00000 -0.00083 145 4YZ 0.00000 0.00000 -0.00828 0.00000 0.00935 146 15 C 1S -0.00483 0.00532 0.00000 -0.00673 0.00000 147 2S 0.01244 -0.00793 0.00000 0.01065 0.00000 148 2PX 0.01845 -0.15015 0.00000 0.11451 0.00000 149 2PY -0.11173 0.02402 0.00000 0.00923 0.00000 150 2PZ 0.00000 0.00000 -0.13728 0.00000 0.19019 151 3S 0.00714 -0.04221 0.00000 0.05533 0.00000 152 3PX 0.00694 -0.04850 0.00000 0.04160 0.00000 153 3PY -0.03781 0.02249 0.00000 -0.01293 0.00000 154 3PZ 0.00000 0.00000 -0.08868 0.00000 0.12599 155 4XX -0.00296 0.00830 0.00000 -0.00681 0.00000 156 4YY -0.00086 -0.00967 0.00000 0.00889 0.00000 157 4ZZ -0.00013 0.00074 0.00000 -0.00077 0.00000 158 4XY -0.00866 -0.00447 0.00000 0.00790 0.00000 159 4XZ 0.00000 0.00000 0.00634 0.00000 -0.00108 160 4YZ 0.00000 0.00000 0.00179 0.00000 -0.00325 161 16 C 1S 0.01070 -0.00655 0.00000 -0.00000 0.00000 162 2S -0.02783 0.01704 0.00000 0.00000 0.00000 163 2PX 0.00592 0.14690 0.00000 -0.12709 0.00000 164 2PY 0.14458 -0.00164 0.00000 -0.07338 0.00000 165 2PZ 0.00000 0.00000 -0.18177 0.00000 0.09207 166 3S -0.03216 0.01969 0.00000 0.00000 0.00000 167 3PX 0.00802 0.05740 0.00000 -0.05555 0.00000 168 3PY 0.05020 0.00523 0.00000 -0.03207 0.00000 169 3PZ 0.00000 0.00000 -0.10874 0.00000 0.06165 170 4XX 0.00051 0.00465 0.00000 -0.00295 0.00000 171 4YY 0.00510 -0.00809 0.00000 0.00295 0.00000 172 4ZZ -0.00007 0.00004 0.00000 0.00000 0.00000 173 4XY -0.01048 0.00311 0.00000 0.00196 0.00000 174 4XZ 0.00000 0.00000 -0.00318 0.00000 0.00892 175 4YZ 0.00000 0.00000 0.00551 0.00000 0.00279 176 17 C 1S -0.00694 0.00188 0.00000 0.00673 0.00000 177 2S 0.01272 -0.00748 0.00000 -0.01065 0.00000 178 2PX -0.00857 -0.10264 0.00000 0.06525 0.00000 179 2PY -0.15918 -0.00055 0.00000 0.09455 0.00000 180 2PZ 0.00000 0.00000 -0.13728 0.00000 -0.09247 181 3S 0.04084 0.01282 0.00000 -0.05533 0.00000 182 3PX 0.00905 -0.02825 0.00000 0.00960 0.00000 183 3PY -0.05875 -0.00200 0.00000 0.04250 0.00000 184 3PZ 0.00000 0.00000 -0.08868 0.00000 -0.05688 185 4XX 0.00402 0.01090 0.00000 -0.01089 0.00000 186 4YY -0.00453 -0.00687 0.00000 0.00881 0.00000 187 4ZZ -0.00072 -0.00023 0.00000 0.00077 0.00000 188 4XY -0.00846 0.00173 0.00000 0.00390 0.00000 189 4XZ 0.00000 0.00000 -0.00472 0.00000 -0.00133 190 4YZ 0.00000 0.00000 -0.00459 0.00000 0.00900 191 18 C 1S 0.00943 -0.01095 0.00000 -0.00184 0.00000 192 2S -0.01554 0.02514 0.00000 -0.00010 0.00000 193 2PX 0.04936 0.12811 0.00000 -0.14216 0.00000 194 2PY 0.19282 -0.03557 0.00000 -0.11614 0.00000 195 2PZ 0.00000 0.00000 -0.02529 0.00000 -0.19198 196 3S -0.06119 0.04313 0.00000 0.01367 0.00000 197 3PX 0.01960 0.04688 0.00000 -0.07139 0.00000 198 3PY 0.05831 -0.02791 0.00000 -0.02018 0.00000 199 3PZ 0.00000 0.00000 -0.01444 0.00000 -0.14868 200 4XX -0.00195 0.00386 0.00000 -0.00114 0.00000 201 4YY -0.00420 -0.00578 0.00000 0.00721 0.00000 202 4ZZ 0.00107 -0.00010 0.00000 -0.00066 0.00000 203 4XY -0.01411 -0.00411 0.00000 0.01320 0.00000 204 4XZ 0.00000 0.00000 0.00592 0.00000 -0.00071 205 4YZ 0.00000 0.00000 -0.00630 0.00000 -0.00090 206 19 H 1S -0.11486 -0.04141 0.00000 0.10850 0.00000 207 2S -0.10284 -0.05212 0.00000 0.10841 0.00000 208 20 H 1S 0.02126 0.07811 0.00000 -0.06696 0.00000 209 2S 0.02337 0.08042 0.00000 -0.07141 0.00000 210 21 H 1S 0.08143 -0.04987 0.00000 -0.00000 0.00000 211 2S 0.08597 -0.05265 0.00000 0.00000 0.00000 212 22 H 1S -0.05991 -0.05443 0.00000 0.06696 0.00000 213 2S -0.06102 -0.05736 0.00000 0.07141 0.00000 214 23 H 1S -0.01531 0.12114 0.00000 -0.10850 0.00000 215 2S -0.00031 0.11530 0.00000 -0.10841 0.00000 216 24 C 1S 0.01137 0.00618 0.00000 -0.00000 0.00000 217 2S -0.02352 -0.01278 0.00000 0.00000 0.00000 218 2PX 0.01014 -0.14086 0.00000 -0.12600 0.00000 219 2PY -0.12423 0.01701 0.00000 0.07275 0.00000 220 2PZ 0.00000 0.00000 0.11982 0.00000 -0.11442 221 3S -0.04978 -0.02704 0.00000 0.00000 0.00000 222 3PX 0.01891 -0.04493 0.00000 -0.02841 0.00000 223 3PY -0.02072 0.02061 0.00000 0.01641 0.00000 224 3PZ 0.00000 0.00000 0.07522 0.00000 -0.08193 225 4XX 0.00181 0.01010 0.00000 0.00586 0.00000 226 4YY -0.00160 -0.00999 0.00000 -0.00586 0.00000 227 4ZZ 0.00061 0.00033 0.00000 -0.00000 0.00000 228 4XY -0.01361 -0.00131 0.00000 0.00391 0.00000 229 4XZ 0.00000 0.00000 0.00484 0.00000 0.00920 230 4YZ 0.00000 0.00000 0.00838 0.00000 -0.00356 231 25 C 1S -0.00999 -0.01045 0.00000 0.00184 0.00000 232 2S 0.01682 0.02431 0.00000 0.00010 0.00000 233 2PX -0.04266 0.13050 0.00000 0.14216 0.00000 234 2PY 0.19440 0.02553 0.00000 -0.11614 0.00000 235 2PZ 0.00000 0.00000 -0.02529 0.00000 -0.19105 236 3S 0.06335 0.03990 0.00000 -0.01367 0.00000 237 3PX -0.01714 0.04783 0.00000 0.07139 0.00000 238 3PY 0.05968 0.02485 0.00000 -0.02018 0.00000 239 3PZ 0.00000 0.00000 -0.01444 0.00000 -0.14755 240 4XX 0.00215 0.00375 0.00000 0.00114 0.00000 241 4YY 0.00390 -0.00599 0.00000 -0.00721 0.00000 242 4ZZ -0.00108 -0.00005 0.00000 0.00066 0.00000 243 4XY -0.01387 0.00483 0.00000 0.01320 0.00000 244 4XZ 0.00000 0.00000 0.00592 0.00000 -0.00162 245 4YZ 0.00000 0.00000 0.00630 0.00000 0.00035 246 26 C 1S 0.00703 0.00152 0.00000 -0.00673 0.00000 247 2S -0.01309 -0.00681 0.00000 0.01065 0.00000 248 2PX 0.00323 -0.10294 0.00000 -0.06525 0.00000 249 2PY -0.15893 0.00880 0.00000 0.09455 0.00000 250 2PZ 0.00000 0.00000 -0.13728 0.00000 -0.07671 251 3S -0.04012 0.01492 0.00000 0.05533 0.00000 252 3PX -0.01050 -0.02775 0.00000 -0.00960 0.00000 253 3PY -0.05857 0.00504 0.00000 0.04250 0.00000 254 3PZ 0.00000 0.00000 -0.08868 0.00000 -0.04618 255 4XX -0.00345 0.01109 0.00000 0.01089 0.00000 256 4YY 0.00417 -0.00709 0.00000 -0.00881 0.00000 257 4ZZ 0.00071 -0.00026 0.00000 -0.00077 0.00000 258 4XY -0.00854 -0.00129 0.00000 0.00390 0.00000 259 4XZ 0.00000 0.00000 -0.00472 0.00000 -0.00104 260 4YZ 0.00000 0.00000 0.00459 0.00000 -0.00947 261 27 C 1S -0.01102 -0.00599 0.00000 -0.00000 0.00000 262 2S 0.02868 0.01558 0.00000 0.00000 0.00000 263 2PX 0.00170 0.14701 0.00000 0.12709 0.00000 264 2PY 0.14447 -0.00585 0.00000 -0.07338 0.00000 265 2PZ 0.00000 0.00000 -0.18177 0.00000 0.10800 266 3S 0.03313 0.01800 0.00000 0.00000 0.00000 267 3PX -0.00503 0.05773 0.00000 0.05555 0.00000 268 3PY 0.04986 -0.00782 0.00000 -0.03207 0.00000 269 3PZ 0.00000 0.00000 -0.10874 0.00000 0.07232 270 4XX -0.00027 0.00467 0.00000 0.00295 0.00000 271 4YY -0.00551 -0.00781 0.00000 -0.00295 0.00000 272 4ZZ 0.00007 0.00004 0.00000 0.00000 0.00000 273 4XY -0.01063 -0.00256 0.00000 0.00196 0.00000 274 4XZ 0.00000 0.00000 -0.00318 0.00000 0.00869 275 4YZ 0.00000 0.00000 -0.00551 0.00000 -0.00225 276 28 C 1S 0.00510 0.00507 0.00000 0.00673 0.00000 277 2S -0.01284 -0.00728 0.00000 -0.01065 0.00000 278 2PX -0.02621 -0.14899 0.00000 -0.11451 0.00000 279 2PY -0.11283 -0.01819 0.00000 0.00923 0.00000 280 2PZ 0.00000 0.00000 -0.13728 0.00000 0.19133 281 3S -0.00932 -0.04178 0.00000 -0.05533 0.00000 282 3PX -0.00944 -0.04808 0.00000 -0.04160 0.00000 283 3PY -0.03893 -0.02050 0.00000 -0.01293 0.00000 284 3PZ 0.00000 0.00000 -0.08868 0.00000 0.12724 285 4XX 0.00339 0.00813 0.00000 0.00681 0.00000 286 4YY 0.00036 -0.00970 0.00000 -0.00889 0.00000 287 4ZZ 0.00016 0.00074 0.00000 0.00077 0.00000 288 4XY -0.00842 0.00491 0.00000 0.00790 0.00000 289 4XZ 0.00000 0.00000 0.00634 0.00000 -0.00195 290 4YZ 0.00000 0.00000 -0.00179 0.00000 0.00281 291 29 C 1S -0.01420 -0.00269 0.00000 -0.00184 0.00000 292 2S 0.02955 0.00089 0.00000 -0.00010 0.00000 293 2PX 0.06703 0.18262 0.00000 0.17166 0.00000 294 2PY 0.13832 -0.01790 0.00000 -0.06505 0.00000 295 2PZ 0.00000 0.00000 -0.02529 0.00000 0.09708 296 3S 0.06794 0.03143 0.00000 0.01367 0.00000 297 3PX 0.03078 0.05185 0.00000 0.05318 0.00000 298 3PY 0.05334 -0.01672 0.00000 -0.05174 0.00000 299 3PZ 0.00000 0.00000 -0.01444 0.00000 0.07911 300 4XX 0.00153 0.01554 0.00000 0.01502 0.00000 301 4YY -0.00011 -0.00925 0.00000 -0.00896 0.00000 302 4ZZ -0.00063 -0.00088 0.00000 -0.00066 0.00000 303 4XY -0.00536 -0.00375 0.00000 -0.00243 0.00000 304 4XZ 0.00000 0.00000 0.00250 0.00000 -0.00075 305 4YZ 0.00000 0.00000 0.00828 0.00000 -0.00993 306 30 H 1S 0.02157 0.12018 0.00000 0.10850 0.00000 307 2S 0.00628 0.11513 0.00000 0.10841 0.00000 308 31 H 1S 0.05701 -0.05746 0.00000 -0.06696 0.00000 309 2S 0.05796 -0.06045 0.00000 -0.07141 0.00000 310 32 H 1S -0.08390 -0.04558 0.00000 -0.00000 0.00000 311 2S -0.08858 -0.04813 0.00000 0.00000 0.00000 312 33 H 1S -0.01718 0.07910 0.00000 0.06696 0.00000 313 2S -0.01917 0.08152 0.00000 0.07141 0.00000 314 34 H 1S 0.11256 -0.04731 0.00000 -0.10850 0.00000 315 2S 0.10000 -0.05738 0.00000 -0.10841 0.00000 61 62 63 64 65 (E")--O (E")--O (E")--O (A")--O (A")--V Eigenvalues -- -0.39273 -0.38569 -0.38569 -0.38377 -0.27635 1 1 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 2 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 3 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 4 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 -0.00000 0.39422 6 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 7 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 8 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 9 3PZ 0.00000 0.00000 0.00000 -0.00000 0.30626 10 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 11 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 12 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 13 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 14 4XZ -0.00061 -0.00688 -0.00802 0.00000 0.00000 15 4YZ 0.01332 0.00802 -0.00688 -0.00000 -0.00000 16 2 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 17 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 18 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 19 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 20 2PZ -0.00974 -0.14149 -0.16494 -0.00000 -0.03195 21 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 22 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 23 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 24 3PZ -0.00698 -0.09841 -0.11472 0.00000 -0.00385 25 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 26 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 27 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 28 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 29 4XZ -0.00013 -0.00268 -0.00313 0.00000 -0.02191 30 4YZ 0.01157 -0.00751 0.00644 0.01025 -0.00000 31 3 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 32 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 33 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 34 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 35 2PZ 0.16689 -0.19795 0.04511 0.17584 -0.15546 36 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 37 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 38 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 39 3PZ 0.13152 -0.13398 0.03606 0.11865 -0.14714 40 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 41 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 42 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 43 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 44 4XZ 0.00543 0.00017 0.01015 0.00657 0.00078 45 4YZ 0.00187 0.00312 0.00575 0.00109 0.00159 46 4 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 47 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 48 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 49 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 50 2PZ 0.16385 -0.07083 0.18499 0.17247 0.02114 51 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 52 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 53 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 54 3PZ 0.10630 -0.05107 0.12679 0.12180 0.01562 55 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 56 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 57 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 58 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 59 4XZ -0.00573 0.00964 0.00098 -0.00661 0.01065 60 4YZ 0.00015 -0.00415 -0.00418 0.00040 -0.00572 61 5 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 62 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 63 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 64 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 65 2PZ 0.00920 0.12216 0.14240 0.00000 0.17542 66 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 67 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 68 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 69 3PZ 0.00616 0.08445 0.09844 -0.00000 0.14876 70 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 71 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 72 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 73 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 74 4XZ -0.00020 -0.00258 -0.00300 0.00000 0.00004 75 4YZ 0.01026 -0.00846 0.00725 0.01103 0.00000 76 6 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 77 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 78 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 79 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 80 2PZ -0.15409 0.19361 -0.04186 -0.17247 0.02114 81 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 82 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 83 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 84 3PZ -0.09940 0.13308 -0.03118 -0.12180 0.01562 85 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 86 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 87 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 88 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 89 4XZ 0.00634 -0.00049 0.00967 0.00661 0.01065 90 4YZ 0.00074 0.00350 0.00474 0.00040 0.00572 91 7 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 92 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 93 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 94 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 95 2PZ -0.17489 0.07470 -0.18878 -0.17584 -0.15546 96 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 97 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 98 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 99 3PZ -0.13734 0.05603 -0.12693 -0.11865 -0.14714 100 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 101 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 102 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 103 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 104 4XZ -0.00462 0.01001 0.00171 -0.00657 0.00078 105 4YZ 0.00137 -0.00521 -0.00395 0.00109 -0.00159 106 8 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 107 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 108 9 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 109 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 110 10 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 111 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 112 11 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 113 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 114 12 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 115 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 116 13 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 117 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 118 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 119 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 120 2PZ 0.18843 0.21359 -0.04007 -0.00000 -0.03195 121 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 122 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 123 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 124 3PZ 0.13493 0.14855 -0.02787 0.00000 -0.00385 125 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 126 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 127 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 128 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 129 4XZ 0.00336 -0.00044 0.00880 -0.00888 0.01095 130 4YZ 0.00483 0.00442 0.00420 -0.00513 -0.01897 131 14 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 132 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 133 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 134 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 135 2PZ 0.15602 0.12614 0.15909 -0.17584 -0.15546 136 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 137 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 138 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 139 3PZ 0.11822 0.08191 0.11199 -0.11865 -0.14714 140 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 141 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 142 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 143 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 144 4XZ -0.00080 -0.00198 -0.00172 0.00234 0.00099 145 4YZ -0.00682 -0.00863 0.00803 -0.00623 0.00147 146 15 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 147 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 148 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 149 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 150 2PZ -0.02123 -0.06055 0.18860 -0.17247 0.02114 151 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 152 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 153 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 154 3PZ -0.01942 -0.03954 0.13085 -0.12180 0.01562 155 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 156 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 157 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 158 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 159 4XZ 0.00949 0.00914 0.00206 -0.00365 -0.01028 160 4YZ -0.00463 -0.00411 -0.00489 0.00552 0.00637 161 16 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 162 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 163 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 164 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 165 2PZ -0.17786 -0.18440 0.03459 0.00000 0.17542 166 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 167 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 168 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 169 3PZ -0.11910 -0.12748 0.02391 -0.00000 0.14876 170 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 171 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 172 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 173 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 174 4XZ 0.00211 -0.00017 0.00985 -0.00955 -0.00002 175 4YZ 0.00578 0.00440 0.00484 -0.00551 0.00003 176 17 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 177 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 178 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 179 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 180 2PZ -0.16755 -0.12479 -0.15384 0.17247 0.02114 181 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 182 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 183 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 184 3PZ -0.11408 -0.08427 -0.10762 0.12180 0.01562 185 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 186 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 187 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 188 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 189 4XZ -0.00316 -0.00210 -0.00262 0.00295 -0.00037 190 4YZ -0.00552 -0.00776 0.00755 -0.00592 0.01209 191 18 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 192 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 193 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 194 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 195 2PZ -0.00126 0.05990 -0.19399 0.17584 -0.15546 196 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 197 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 198 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 199 3PZ -0.00550 0.03576 -0.13406 0.11865 -0.14714 200 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 201 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 202 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 203 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 204 4XZ 0.00991 0.01010 0.00262 -0.00423 -0.00177 205 4YZ -0.00597 -0.00442 -0.00419 0.00514 -0.00012 206 19 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 207 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 208 20 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 209 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 210 21 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 211 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 212 22 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 213 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 214 23 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 215 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 216 24 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 217 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 218 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 219 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 220 2PZ -0.17869 -0.07210 0.20501 -0.00000 -0.03195 221 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 222 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 223 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 224 3PZ -0.12795 -0.05014 0.14259 0.00000 -0.00385 225 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 226 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 227 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 228 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 229 4XZ -0.00422 0.00876 0.00090 0.00888 0.01095 230 4YZ 0.00518 -0.00348 -0.00500 -0.00513 0.01897 231 25 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 232 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 233 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 234 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 235 2PZ 0.01887 -0.20084 0.02970 -0.17584 -0.15546 236 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 237 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 238 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 239 3PZ 0.01912 -0.13794 0.01495 -0.11865 -0.14714 240 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 241 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 242 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 243 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 244 4XZ -0.00980 0.00105 0.01038 0.00423 -0.00177 245 4YZ -0.00603 0.00346 0.00501 0.00514 0.00012 246 26 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 247 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 248 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 249 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 250 2PZ 0.17532 -0.13306 -0.14674 -0.17247 0.02114 251 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 252 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 253 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 254 3PZ 0.11882 -0.09355 -0.09966 -0.12180 0.01562 255 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 256 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 257 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 258 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 259 4XZ 0.00327 -0.00227 -0.00248 -0.00295 -0.00037 260 4YZ -0.00467 -0.00865 0.00652 -0.00592 -0.01209 261 27 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 262 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 263 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 264 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 265 2PZ 0.16866 0.06224 -0.17699 0.00000 0.17542 266 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 267 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 268 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 269 3PZ 0.11294 0.04303 -0.12235 -0.00000 0.14876 270 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 271 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 272 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 273 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 274 4XZ -0.00292 0.00976 0.00133 0.00955 -0.00002 275 4YZ 0.00601 -0.00412 -0.00508 -0.00551 -0.00003 276 28 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 277 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 278 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 279 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 280 2PZ 0.00369 0.19562 -0.03115 0.17247 0.02114 281 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 282 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 283 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 284 3PZ 0.00778 0.13534 -0.01917 0.12180 0.01562 285 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 286 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 287 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 288 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 289 4XZ -0.00935 0.00064 0.00935 0.00365 -0.01028 290 4YZ -0.00491 0.00421 0.00481 0.00552 -0.00637 291 29 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 292 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 293 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 294 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 295 2PZ -0.16563 0.13804 0.14887 0.17584 -0.15546 296 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 297 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 298 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 299 3PZ -0.12601 0.09822 0.09799 0.11865 -0.14714 300 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 301 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 302 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 303 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 304 4XZ 0.00088 -0.00140 -0.00222 -0.00234 0.00099 305 4YZ -0.00593 -0.00925 0.00731 -0.00623 -0.00147 306 30 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 307 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 308 31 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 309 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 310 32 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 311 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 312 33 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 313 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 314 34 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 315 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 66 67 68 69 70 (E")--V (E")--V (E")--V (E")--V (A")--V Eigenvalues -- -0.15126 -0.15126 -0.13730 -0.13730 -0.12182 1 1 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 2 2S -0.00000 0.00000 0.00000 0.00000 0.00000 3 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 5 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 6 3S -0.00000 0.00000 0.00000 0.00000 0.00000 7 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 9 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 10 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 11 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 12 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 13 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ -0.00609 0.02461 0.00010 -0.00129 -0.00000 15 4YZ -0.02461 -0.00609 0.00129 0.00010 0.00000 16 2 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 17 2S -0.00000 0.00000 0.00000 0.00000 0.00000 18 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 19 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 20 2PZ -0.07796 0.31505 -0.00476 0.05867 0.00000 21 3S -0.00000 0.00000 0.00000 0.00000 0.00000 22 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 23 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 24 3PZ -0.09027 0.36477 -0.00344 0.04239 0.00000 25 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 26 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 27 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 28 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00270 -0.01090 -0.00010 0.00125 0.00000 30 4YZ -0.00437 -0.00108 0.02404 0.00195 0.01808 31 3 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 32 2S -0.00000 0.00000 0.00000 0.00000 0.00000 33 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 34 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.02316 -0.17476 0.24243 0.01631 0.19929 36 3S -0.00000 0.00000 0.00000 0.00000 0.00000 37 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 38 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 39 3PZ 0.01904 -0.20630 0.34392 -0.00101 0.23468 40 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00555 -0.01561 -0.01612 -0.00223 -0.01015 45 4YZ 0.00340 -0.01281 0.00224 -0.00330 0.00035 46 4 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 47 2S -0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.05169 -0.11299 -0.26510 -0.03024 -0.18646 51 3S -0.00000 0.00000 0.00000 0.00000 0.00000 52 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 53 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 54 3PZ 0.06880 -0.14574 -0.34582 -0.02946 -0.23794 55 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ -0.00343 0.01796 -0.01297 -0.00039 -0.01114 60 4YZ 0.00309 -0.01232 -0.00021 -0.00094 -0.00032 61 5 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 62 2S -0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ -0.07170 0.28975 -0.00133 0.01635 -0.00000 66 3S -0.00000 0.00000 0.00000 0.00000 0.00000 67 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 68 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 69 3PZ -0.08715 0.35216 -0.00136 0.01680 -0.00000 70 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ -0.00182 0.00734 -0.00005 0.00068 -0.00000 75 4YZ 0.00204 0.00051 -0.02517 -0.00204 -0.01846 76 6 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 77 2S -0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00697 -0.12406 0.26651 0.01286 0.18646 81 3S -0.00000 0.00000 0.00000 0.00000 0.00000 82 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 83 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 84 3PZ 0.00711 -0.16100 0.34605 0.02662 0.23794 85 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ -0.00534 0.01749 0.01286 0.00170 0.01114 90 4YZ -0.00301 0.01234 -0.00036 0.00089 -0.00032 91 7 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.06101 -0.16539 -0.24189 -0.02295 -0.19929 96 3S -0.00000 0.00000 0.00000 0.00000 0.00000 97 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 98 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 99 3PZ 0.07937 -0.19137 -0.33927 -0.05639 -0.23468 100 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00237 -0.01640 0.01627 0.00039 0.01015 105 4YZ -0.00297 0.01291 0.00168 0.00362 0.00035 106 8 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 107 2S -0.00000 0.00000 0.00000 0.00000 0.00000 108 9 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 109 2S -0.00000 0.00000 0.00000 0.00000 0.00000 110 10 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 111 2S -0.00000 0.00000 0.00000 0.00000 0.00000 112 11 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 113 2S -0.00000 0.00000 0.00000 0.00000 0.00000 114 12 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 115 2S -0.00000 0.00000 0.00000 0.00000 0.00000 116 13 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 117 2S -0.00000 0.00000 0.00000 0.00000 0.00000 118 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 119 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 120 2PZ -0.23386 -0.22505 -0.04843 -0.03345 0.00000 121 3S -0.00000 0.00000 0.00000 0.00000 0.00000 122 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 123 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 124 3PZ -0.27077 -0.26056 -0.03499 -0.02417 0.00000 125 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 126 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 127 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 128 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 129 4XZ -0.00675 -0.00109 0.01239 -0.01683 -0.01566 130 4YZ 0.00545 0.00837 0.00596 -0.01054 -0.00904 131 14 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 132 2S -0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.11273 0.13553 0.14082 -0.19801 -0.19929 136 3S -0.00000 0.00000 0.00000 0.00000 0.00000 137 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 138 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ 0.12605 0.16442 0.21847 -0.26562 -0.23468 140 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00189 0.00269 0.00768 -0.00664 -0.00538 145 4YZ 0.01612 0.01339 -0.00535 0.01221 0.00862 146 15 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.10395 0.06807 -0.14439 0.22438 0.18646 151 3S -0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.13588 0.08666 -0.19608 0.28638 0.23794 155 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.01418 0.01428 0.00447 -0.00448 -0.00529 160 4YZ -0.00622 -0.00719 -0.00655 0.00929 0.00981 161 16 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 162 2S -0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ -0.21508 -0.20697 -0.01350 -0.00933 -0.00000 166 3S -0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ -0.26141 -0.25155 -0.01387 -0.00958 -0.00000 170 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00399 0.00131 -0.01215 0.01818 0.01599 175 4YZ -0.00399 -0.00530 -0.00766 0.01005 0.00923 176 17 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.07201 0.10126 0.15874 -0.21447 -0.18646 181 3S -0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.09181 0.13245 0.19842 -0.28475 -0.23794 185 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ -0.00098 -0.00167 -0.00421 0.00527 0.00585 190 4YZ -0.01654 -0.01477 0.00545 -0.00970 -0.00949 191 18 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.13976 0.10744 -0.13534 0.20179 0.19929 196 3S -0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.16914 0.11964 -0.17108 0.29835 0.23468 200 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ -0.01351 -0.01440 -0.00650 0.00331 0.00477 205 4YZ 0.00461 0.00625 0.00778 -0.01292 -0.00897 206 19 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 207 2S -0.00000 0.00000 0.00000 0.00000 0.00000 208 20 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 209 2S -0.00000 0.00000 0.00000 0.00000 0.00000 210 21 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00000 0.00000 0.00000 0.00000 0.00000 216 24 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 217 2S -0.00000 0.00000 0.00000 0.00000 0.00000 218 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 219 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 220 2PZ 0.31183 -0.09001 0.05318 -0.02521 0.00000 221 3S -0.00000 0.00000 0.00000 0.00000 0.00000 222 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 223 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 224 3PZ 0.36104 -0.10421 0.03843 -0.01822 0.00000 225 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 226 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 227 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 228 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 229 4XZ 0.00648 0.00219 -0.00951 -0.01861 0.01566 230 4YZ 0.00872 -0.00486 0.00419 0.01136 -0.00904 231 25 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 0.00000 0.00000 0.00000 0.00000 233 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 234 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 235 2PZ -0.17374 0.02986 0.10107 0.22095 -0.19929 236 3S -0.00000 0.00000 0.00000 0.00000 0.00000 237 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 238 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 239 3PZ -0.20542 0.02695 0.12080 0.32201 -0.23468 240 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 241 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 242 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 243 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 244 4XZ 0.01866 -0.00644 0.00588 0.00432 -0.00477 245 4YZ 0.00699 -0.00338 0.00560 0.01400 -0.00897 246 26 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 247 2S -0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ -0.11092 0.05599 -0.12212 -0.23723 0.18646 251 3S -0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ -0.14299 0.07434 -0.14997 -0.31300 0.23794 255 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00165 -0.00102 0.00331 0.00588 -0.00585 260 4YZ -0.02152 0.00535 0.00381 0.01045 -0.00949 261 27 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 262 2S -0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.28678 -0.08278 0.01483 -0.00703 -0.00000 266 3S -0.00000 0.00000 0.00000 0.00000 0.00000 267 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 268 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 269 3PZ 0.34855 -0.10061 0.01523 -0.00722 -0.00000 270 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ -0.00414 -0.00070 0.00906 0.01990 -0.01599 275 4YZ -0.00600 0.00283 -0.00594 -0.01116 0.00923 276 28 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 277 2S -0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ -0.12370 0.01173 0.10637 0.24470 -0.18646 281 3S -0.00000 0.00000 0.00000 0.00000 0.00000 282 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 283 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 284 3PZ -0.16061 0.01329 0.14739 0.31422 -0.23794 285 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ -0.01921 0.00602 -0.00368 -0.00514 0.00529 290 4YZ -0.00885 0.00346 -0.00497 -0.01022 0.00981 291 29 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 292 2S -0.00000 0.00000 0.00000 0.00000 0.00000 293 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 294 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 295 2PZ -0.16292 0.06732 -0.10709 -0.21810 0.19929 296 3S -0.00000 0.00000 0.00000 0.00000 0.00000 297 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 298 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 299 3PZ -0.18818 0.08666 -0.17284 -0.29734 0.23468 300 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 301 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 302 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 303 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 304 4XZ -0.00293 0.00150 -0.00651 -0.00779 0.00538 305 4YZ 0.02051 -0.00433 -0.00332 -0.01291 0.00862 306 30 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 307 2S -0.00000 0.00000 0.00000 0.00000 0.00000 308 31 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 0.00000 0.00000 0.00000 0.00000 310 32 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 0.00000 0.00000 0.00000 0.00000 312 33 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 0.00000 0.00000 0.00000 0.00000 314 34 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 315 2S -0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 (A")--V (A')--V (E')--V (E')--V (E')--V Eigenvalues -- -0.08742 -0.06582 -0.02265 -0.02265 0.00544 1 1 C 1S 0.00000 -0.07296 0.00000 0.00000 0.00000 2 2S 0.00000 0.18362 -0.00000 -0.00000 -0.00000 3 2PX 0.00000 0.00000 -0.00025 0.13691 0.00103 4 2PY 0.00000 0.00000 0.13691 0.00025 0.10831 5 2PZ 0.34530 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 0.45696 -0.00000 -0.00000 -0.00000 7 3PX 0.00000 0.00000 0.00022 -0.12266 0.00723 8 3PY 0.00000 -0.00000 -0.12266 -0.00022 0.76126 9 3PZ 0.38516 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00000 -0.01261 0.00001 -0.00744 -0.00021 11 4YY 0.00000 -0.01261 -0.00001 0.00744 0.00021 12 4ZZ 0.00000 0.00825 0.00000 -0.00000 0.00000 13 4XY 0.00000 0.00000 0.00859 0.00002 0.02559 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 0.01536 -0.00003 0.01455 0.00054 17 2S 0.00000 -0.03188 0.00008 -0.04199 -0.00111 18 2PX 0.00000 0.11093 -0.00006 0.03470 0.00039 19 2PY 0.00000 0.00000 0.04643 0.00008 0.04769 20 2PZ -0.20955 0.00000 0.00000 0.00000 0.00000 21 3S 0.00000 -0.03620 -0.00013 0.06926 -0.00648 22 3PX 0.00000 0.09748 0.00017 -0.09047 0.00478 23 3PY 0.00000 -0.00000 0.33883 0.00061 -0.18472 24 3PZ -0.25864 0.00000 0.00000 0.00000 0.00000 25 4XX 0.00000 0.02314 -0.00004 0.01994 0.00001 26 4YY 0.00000 -0.01543 0.00002 -0.00989 0.00010 27 4ZZ 0.00000 -0.00257 0.00001 -0.00443 -0.00004 28 4XY 0.00000 -0.00000 -0.00079 -0.00000 -0.03258 29 4XZ -0.01492 0.00000 0.00000 0.00000 0.00000 30 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 0.02731 0.02908 0.02270 0.01253 32 2S 0.00000 -0.04510 -0.04101 -0.04282 -0.04790 33 2PX 0.00000 0.04435 0.05121 0.02294 -0.00542 34 2PY 0.00000 -0.10331 -0.12254 -0.07271 0.17508 35 2PZ 0.02276 0.00000 0.00000 0.00000 0.00000 36 3S 0.00000 -0.30438 -0.53027 -0.26633 0.11838 37 3PX 0.00000 0.26278 0.26757 0.20046 -0.35819 38 3PY 0.00000 -0.19850 -0.16903 -0.17700 0.22961 39 3PZ 0.03660 0.00000 0.00000 0.00000 0.00000 40 4XX 0.00000 -0.00930 0.00162 -0.00690 0.01128 41 4YY 0.00000 0.01362 -0.00266 0.01186 -0.00263 42 4ZZ 0.00000 0.00033 0.00128 -0.00053 -0.00368 43 4XY 0.00000 -0.00742 -0.00206 -0.01188 0.00778 44 4XZ 0.01384 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.01162 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.02502 0.00274 0.03770 -0.03691 47 2S 0.00000 -0.04047 0.00545 -0.06695 0.05458 48 2PX 0.00000 0.00516 -0.03191 -0.03400 0.00340 49 2PY 0.00000 -0.04810 -0.05864 -0.09846 0.11036 50 2PZ 0.13979 0.00000 0.00000 0.00000 0.00000 51 3S 0.00000 -0.42682 -0.21491 -0.57783 0.76616 52 3PX 0.00000 0.01671 -0.07508 -0.06715 0.03076 53 3PY 0.00000 -0.04678 -0.09373 -0.21252 0.24180 54 3PZ 0.19457 0.00000 0.00000 0.00000 0.00000 55 4XX 0.00000 -0.00295 -0.00266 -0.00609 -0.00237 56 4YY 0.00000 0.00590 0.00094 0.01164 0.00056 57 4ZZ 0.00000 0.00068 0.00110 -0.00013 -0.00186 58 4XY 0.00000 0.00918 0.00571 0.01078 -0.00972 59 4XZ -0.00859 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.01019 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.01062 -0.00004 0.02337 0.00029 62 2S 0.00000 -0.03016 0.00008 -0.04477 -0.00036 63 2PX 0.00000 -0.02685 0.00019 -0.10692 -0.00088 64 2PY 0.00000 0.00000 -0.01756 -0.00003 0.00427 65 2PZ -0.20640 0.00000 0.00000 0.00000 0.00000 66 3S 0.00000 -0.02329 0.00058 -0.31871 -0.00746 67 3PX 0.00000 -0.12597 0.00044 -0.24205 -0.00051 68 3PY 0.00000 0.00000 0.02202 0.00004 -0.13591 69 3PZ -0.29803 0.00000 0.00000 0.00000 0.00000 70 4XX 0.00000 0.00836 -0.00003 0.01585 0.00007 71 4YY 0.00000 -0.00355 0.00002 -0.01063 -0.00007 72 4ZZ 0.00000 -0.00212 0.00000 -0.00162 0.00001 73 4XY 0.00000 -0.00000 -0.00613 -0.00001 0.00272 74 4XZ -0.00798 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.02502 -0.00288 0.03769 0.03722 77 2S 0.00000 -0.04047 -0.00520 -0.06697 -0.05549 78 2PX 0.00000 0.00516 0.03203 -0.03388 -0.00360 79 2PY 0.00000 0.04810 -0.05899 0.09825 0.11154 80 2PZ 0.13979 0.00000 0.00000 0.00000 0.00000 81 3S 0.00000 -0.42682 0.21699 -0.57705 -0.76595 82 3PX 0.00000 0.01670 0.07532 -0.06688 -0.03153 83 3PY 0.00000 0.04678 -0.09449 0.21218 0.24872 84 3PZ 0.19457 0.00000 0.00000 0.00000 0.00000 85 4XX 0.00000 -0.00295 0.00268 -0.00608 0.00236 86 4YY 0.00000 0.00590 -0.00098 0.01164 -0.00044 87 4ZZ 0.00000 0.00068 -0.00110 -0.00013 0.00182 88 4XY 0.00000 -0.00918 0.00575 -0.01076 -0.00988 89 4XZ -0.00859 0.00000 0.00000 0.00000 0.00000 90 4YZ -0.01019 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.02731 -0.02916 0.02260 -0.01297 92 2S 0.00000 -0.04510 0.04116 -0.04267 0.04865 93 2PX 0.00000 0.04435 -0.05129 0.02275 0.00443 94 2PY 0.00000 0.10331 -0.12280 0.07227 0.17507 95 2PZ 0.02276 0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 -0.30438 0.53123 -0.26441 -0.11527 97 3PX 0.00000 0.26278 -0.26829 0.19949 0.35391 98 3PY 0.00000 0.19850 -0.16967 0.17639 0.22531 99 3PZ 0.03660 0.00000 0.00000 0.00000 0.00000 100 4XX 0.00000 -0.00930 -0.00160 -0.00691 -0.01131 101 4YY 0.00000 0.01362 0.00262 0.01187 0.00258 102 4ZZ 0.00000 0.00033 -0.00128 -0.00054 0.00367 103 4XY 0.00000 0.00742 -0.00210 0.01187 0.00803 104 4XZ 0.01384 0.00000 0.00000 0.00000 0.00000 105 4YZ -0.01162 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.00000 0.06217 -0.01932 0.05320 0.03369 107 2S 0.00000 0.48346 -0.42073 0.50177 0.44045 108 9 H 1S 0.00000 0.03099 -0.01120 0.05114 0.03547 109 2S 0.00000 0.29465 -0.24564 0.62504 0.64483 110 10 H 1S 0.00000 0.02324 -0.00009 0.04922 0.00028 111 2S 0.00000 0.19544 -0.00098 0.54179 0.00469 112 11 H 1S 0.00000 0.03099 0.01102 0.05118 -0.03472 113 2S 0.00000 0.29465 0.24338 0.62592 -0.63639 114 12 H 1S 0.00000 0.06217 0.01913 0.05327 -0.03375 115 2S 0.00000 0.48346 0.41892 0.50329 -0.44591 116 13 C 1S 0.00000 0.01536 0.01262 -0.00725 0.04935 117 2S 0.00000 -0.03188 -0.03640 0.02093 -0.10028 118 2PX 0.00000 -0.05547 0.00500 0.04350 0.00319 119 2PY 0.00000 0.09607 0.03762 0.00515 0.04294 120 2PZ -0.20955 0.00000 0.00000 0.00000 0.00000 121 3S 0.00000 -0.03620 0.06004 -0.03452 -0.58684 122 3PX 0.00000 -0.04874 0.18547 0.23184 -0.29827 123 3PY 0.00000 0.08442 0.01652 0.18592 0.32885 124 3PZ -0.25864 0.00000 0.00000 0.00000 0.00000 125 4XX 0.00000 -0.00579 -0.00181 0.00172 0.01977 126 4YY 0.00000 0.01350 0.01053 -0.00673 -0.00906 127 4ZZ 0.00000 -0.00257 -0.00384 0.00221 -0.00350 128 4XY 0.00000 -0.01928 -0.01312 0.00709 -0.00428 129 4XZ 0.00746 0.00000 0.00000 0.00000 0.00000 130 4YZ -0.01292 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00000 0.02731 0.03415 0.01395 -0.01354 132 2S 0.00000 -0.04510 -0.05754 -0.01431 0.00975 133 2PX 0.00000 -0.11164 -0.13005 -0.07733 0.10101 134 2PY 0.00000 -0.01324 -0.02272 -0.00649 0.00353 135 2PZ 0.02276 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 -0.30438 -0.49460 -0.32785 0.20013 137 3PX 0.00000 -0.30329 -0.35922 -0.11718 0.45625 138 3PY 0.00000 0.12833 0.14700 0.08546 -0.16919 139 3PZ 0.03660 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 0.01346 0.01394 -0.00803 0.00386 141 4YY 0.00000 -0.00913 -0.01015 0.00466 -0.00293 142 4ZZ 0.00000 0.00033 0.00017 0.00137 -0.00238 143 4XY 0.00000 0.00775 0.00141 -0.00446 -0.00736 144 4XZ 0.00314 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.01779 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.02502 0.03408 -0.01635 -0.00487 147 2S 0.00000 -0.04047 -0.05540 0.03799 -0.01299 148 2PX 0.00000 -0.04424 -0.07655 0.00370 0.00600 149 2PY 0.00000 -0.01958 -0.09657 -0.01034 -0.00484 150 2PZ 0.13979 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 -0.42682 -0.60823 0.10060 0.39860 152 3PX 0.00000 -0.04886 -0.15226 0.03690 -0.15408 153 3PY 0.00000 -0.00892 -0.19828 -0.01540 -0.11103 154 3PZ 0.19457 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 -0.00320 -0.00287 -0.00325 0.00228 156 4YY 0.00000 0.00615 0.00683 -0.00100 0.00162 157 4ZZ 0.00000 0.00068 0.00044 0.00102 -0.00295 158 4XY 0.00000 0.00901 0.01469 -0.00304 0.00452 159 4XZ 0.01312 0.00000 0.00000 0.00000 0.00000 160 4YZ -0.00235 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.01062 0.02026 -0.01165 0.02670 162 2S 0.00000 -0.03016 -0.03881 0.02231 -0.03230 163 2PX 0.00000 0.01343 0.03876 -0.03983 0.04189 164 2PY 0.00000 -0.02325 -0.08465 0.03854 -0.06821 165 2PZ -0.20640 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 -0.02329 -0.27629 0.15885 -0.67614 167 3PX 0.00000 0.06298 0.11442 -0.04379 -0.03693 168 3PY 0.00000 -0.10909 -0.17624 0.11402 -0.07419 169 3PZ -0.29803 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 -0.00057 -0.00119 0.00599 -0.00395 171 4YY 0.00000 0.00539 0.00571 -0.00858 0.00418 172 4ZZ 0.00000 -0.00212 -0.00141 0.00081 0.00135 173 4XY 0.00000 -0.00596 -0.01301 0.00394 -0.00537 174 4XZ 0.00399 0.00000 0.00000 0.00000 0.00000 175 4YZ -0.00691 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.02502 0.03128 -0.02122 0.03281 177 2S 0.00000 -0.04047 -0.06071 0.02876 -0.06893 178 2PX 0.00000 0.03908 0.05520 -0.10893 0.10063 179 2PY 0.00000 0.02852 0.01629 -0.01135 0.04569 180 2PZ 0.13979 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 -0.42682 -0.39296 0.47503 -0.38006 182 3PX 0.00000 0.03216 0.12911 -0.21162 0.40492 183 3PY 0.00000 0.03786 0.05074 -0.00833 0.17515 184 3PZ 0.19457 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.01057 0.01108 -0.01139 0.01286 186 4YY 0.00000 -0.00762 -0.00541 0.01011 -0.00707 187 4ZZ 0.00000 0.00068 -0.00066 -0.00089 -0.00108 188 4XY 0.00000 -0.00017 0.00354 -0.00083 -0.00385 189 4XZ -0.00453 0.00000 0.00000 0.00000 0.00000 190 4YZ -0.01254 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.02731 0.00512 -0.03654 -0.02651 192 2S 0.00000 -0.04510 -0.01658 0.05693 0.05882 193 2PX 0.00000 0.06729 0.00435 -0.09548 0.09805 194 2PY 0.00000 0.09006 -0.00412 -0.11957 0.00760 195 2PZ 0.02276 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 -0.30438 0.03449 0.59239 0.08138 197 3PX 0.00000 0.04052 0.03965 -0.03744 -0.06233 198 3PY 0.00000 0.32683 0.06887 -0.40493 -0.05070 199 3PZ 0.03660 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00233 0.00006 0.00358 -0.01366 201 4YY 0.00000 0.00200 0.00475 -0.00517 0.00576 202 4ZZ 0.00000 0.00033 -0.00110 -0.00084 0.00135 203 4XY 0.00000 0.01517 0.01382 -0.00670 0.01080 204 4XZ -0.01698 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00617 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.06217 0.03657 -0.04320 0.01474 207 2S 0.00000 0.48346 0.22640 -0.61444 -0.02200 208 20 H 1S 0.00000 0.03099 0.03882 -0.03513 0.05206 209 2S 0.00000 0.29465 0.42037 -0.52373 0.70796 210 21 H 1S 0.00000 0.02324 0.04267 -0.02453 0.02527 211 2S 0.00000 0.19544 0.46970 -0.27005 0.42471 212 22 H 1S 0.00000 0.03099 0.04989 -0.01587 0.01639 213 2S 0.00000 0.29465 0.66412 -0.09979 0.05680 214 23 H 1S 0.00000 0.06217 0.05574 -0.00987 -0.01954 215 2S 0.00000 0.48346 0.64491 0.11348 -0.47247 216 24 C 1S 0.00000 0.01536 -0.01259 -0.00730 -0.04989 217 2S 0.00000 -0.03188 0.03632 0.02106 0.10138 218 2PX 0.00000 -0.05546 -0.00516 0.04349 -0.00232 219 2PY 0.00000 -0.09607 0.03764 -0.00501 0.04289 220 2PZ -0.20955 0.00000 0.00000 0.00000 0.00000 221 3S 0.00000 -0.03620 -0.05992 -0.03474 0.59332 222 3PX 0.00000 -0.04874 -0.18631 0.23117 0.29802 223 3PY 0.00000 -0.08442 0.01719 -0.18586 0.33452 224 3PZ -0.25864 0.00000 0.00000 0.00000 0.00000 225 4XX 0.00000 -0.00579 0.00181 0.00173 -0.01945 226 4YY 0.00000 0.01350 -0.01050 -0.00677 0.00863 227 4ZZ 0.00000 -0.00257 0.00383 0.00222 0.00354 228 4XY 0.00000 0.01928 -0.01310 -0.00714 -0.00397 229 4XZ 0.00746 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.01292 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.00000 0.02731 -0.00499 -0.03655 0.02652 232 2S 0.00000 -0.04510 0.01638 0.05699 -0.05841 233 2PX 0.00000 0.06729 -0.00400 -0.09550 -0.09584 234 2PY 0.00000 -0.09006 -0.00455 0.11956 0.00566 235 2PZ 0.02276 0.00000 0.00000 0.00000 0.00000 236 3S 0.00000 -0.30438 -0.03663 0.59227 -0.08486 237 3PX 0.00000 0.04051 -0.03951 -0.03759 0.06343 238 3PY 0.00000 -0.32682 0.06740 0.40517 -0.06057 239 3PZ 0.03660 0.00000 0.00000 0.00000 0.00000 240 4XX 0.00000 0.00233 -0.00007 0.00358 0.01366 241 4YY 0.00000 0.00200 -0.00474 -0.00519 -0.00587 242 4ZZ 0.00000 0.00033 0.00110 -0.00084 -0.00128 243 4XY 0.00000 -0.01517 0.01380 0.00675 0.01068 244 4XZ -0.01698 0.00000 0.00000 0.00000 0.00000 245 4YZ -0.00617 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.02502 -0.03120 -0.02133 -0.03235 247 2S 0.00000 -0.04047 0.06060 0.02898 0.06848 248 2PX 0.00000 0.03908 -0.05480 -0.10913 -0.09958 249 2PY 0.00000 -0.02852 0.01625 0.01141 0.04503 250 2PZ 0.13979 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 -0.42682 0.39124 0.47645 0.36735 252 3PX 0.00000 0.03216 -0.12835 -0.21208 -0.40436 253 3PY 0.00000 -0.03786 0.05071 0.00851 0.17497 254 3PZ 0.19457 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.01057 -0.01104 -0.01143 -0.01284 256 4YY 0.00000 -0.00762 0.00538 0.01013 0.00702 257 4ZZ 0.00000 0.00068 0.00067 -0.00089 0.00113 258 4XY 0.00000 0.00017 0.00354 0.00084 -0.00375 259 4XZ -0.00453 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.01254 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.01062 -0.02022 -0.01172 -0.02700 262 2S 0.00000 -0.03016 0.03873 0.02245 0.03266 263 2PX 0.00000 0.01343 -0.03862 -0.03997 -0.04227 264 2PY 0.00000 0.02325 -0.08451 -0.03885 -0.06901 265 2PZ -0.20640 0.00000 0.00000 0.00000 0.00000 266 3S 0.00000 -0.02329 0.27572 0.15985 0.68360 267 3PX 0.00000 0.06299 -0.11426 -0.04421 0.03474 268 3PY 0.00000 0.10909 -0.17582 -0.11466 -0.07351 269 3PZ -0.29803 0.00000 0.00000 0.00000 0.00000 270 4XX 0.00000 -0.00057 0.00117 0.00599 0.00395 271 4YY 0.00000 0.00539 -0.00568 -0.00861 -0.00418 272 4ZZ 0.00000 -0.00212 0.00140 0.00081 -0.00137 273 4XY 0.00000 0.00596 -0.01299 -0.00399 -0.00546 274 4XZ 0.00399 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00691 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.02502 -0.03402 -0.01648 0.00410 277 2S 0.00000 -0.04047 0.05526 0.03819 0.01435 278 2PX 0.00000 -0.04424 0.07654 0.00397 -0.00399 279 2PY 0.00000 0.01958 -0.09661 0.00999 -0.00618 280 2PZ 0.13979 0.00000 0.00000 0.00000 0.00000 281 3S 0.00000 -0.42682 0.60787 0.10280 -0.38609 282 3PX 0.00000 -0.04886 0.15213 0.03745 0.16012 283 3PY 0.00000 0.00892 -0.19833 0.01469 -0.11555 284 3PZ 0.19457 0.00000 0.00000 0.00000 0.00000 285 4XX 0.00000 -0.00320 0.00288 -0.00324 -0.00215 286 4YY 0.00000 0.00615 -0.00682 -0.00103 -0.00184 287 4ZZ 0.00000 0.00068 -0.00044 0.00102 0.00294 288 4XY 0.00000 -0.00901 0.01467 0.00310 0.00465 289 4XZ 0.01312 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00235 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.02731 -0.03420 0.01383 0.01397 292 2S 0.00000 -0.04510 0.05759 -0.01410 -0.01092 293 2PX 0.00000 -0.11164 0.13033 -0.07686 -0.09872 294 2PY 0.00000 0.01324 -0.02275 0.00641 0.00173 295 2PZ 0.02276 0.00000 0.00000 0.00000 0.00000 296 3S 0.00000 -0.30438 0.49578 -0.32607 -0.19976 297 3PX 0.00000 -0.30330 0.35964 -0.11588 -0.45301 298 3PY 0.00000 -0.12833 0.14731 -0.08493 -0.16676 299 3PZ 0.03660 0.00000 0.00000 0.00000 0.00000 300 4XX 0.00000 0.01346 -0.01391 -0.00808 -0.00402 301 4YY 0.00000 -0.00913 0.01013 0.00470 0.00326 302 4ZZ 0.00000 0.00033 -0.00018 0.00137 0.00233 303 4XY 0.00000 -0.00775 0.00139 0.00447 -0.00738 304 4XZ 0.00314 0.00000 0.00000 0.00000 0.00000 305 4YZ -0.01779 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.00000 0.06217 -0.05570 -0.01007 0.01901 307 2S 0.00000 0.48346 -0.64532 0.11115 0.46791 308 31 H 1S 0.00000 0.03099 -0.04983 -0.01605 -0.01735 309 2S 0.00000 0.29465 -0.66375 -0.10219 -0.07157 310 32 H 1S 0.00000 0.02324 -0.04258 -0.02469 -0.02555 311 2S 0.00000 0.19544 -0.46872 -0.27175 -0.42940 312 33 H 1S 0.00000 0.03099 -0.03869 -0.03527 -0.05186 313 2S 0.00000 0.29465 -0.41848 -0.52525 -0.70164 314 34 H 1S 0.00000 0.06217 -0.03641 -0.04333 -0.01416 315 2S 0.00000 0.48346 -0.22418 -0.61525 0.03202 76 77 78 79 80 (E')--V (A')--V (E")--V (E")--V (E')--V Eigenvalues -- 0.00544 0.01409 0.02071 0.02071 0.03337 1 1 C 1S -0.00000 -0.04319 0.00000 -0.00000 0.00000 2 2S 0.00000 0.10719 0.00000 -0.00000 0.00000 3 2PX -0.10831 0.00000 0.00000 -0.00000 -0.00467 4 2PY 0.00103 0.00000 0.00000 -0.00000 0.26806 5 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 6 3S 0.00000 0.40919 0.00000 -0.00000 -0.00000 7 3PX -0.76126 0.00000 0.00000 -0.00000 -0.00791 8 3PY 0.00723 0.00000 0.00000 -0.00000 0.45455 9 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 10 4XX 0.02216 -0.00720 0.00000 -0.00000 0.00066 11 4YY -0.02216 -0.00720 0.00000 -0.00000 -0.00066 12 4ZZ 0.00000 0.00705 0.00000 -0.00000 0.00000 13 4XY 0.00024 -0.00000 0.00000 -0.00000 0.04410 14 4XZ 0.00000 0.00000 -0.02255 0.00900 0.00000 15 4YZ 0.00000 0.00000 -0.00900 -0.02255 0.00000 16 2 C 1S -0.05730 -0.01034 0.00000 -0.00000 -0.00091 17 2S 0.11643 0.03210 0.00000 -0.00000 0.00167 18 2PX -0.04133 0.11088 0.00000 -0.00000 -0.00345 19 2PY 0.00045 0.00000 0.00000 -0.00000 0.15163 20 2PZ 0.00000 0.00000 -0.21933 0.08752 0.00000 21 3S 0.68136 0.15760 0.00000 -0.00000 0.01126 22 3PX -0.50382 0.18647 0.00000 -0.00000 -0.00464 23 3PY -0.00176 -0.00000 0.00000 -0.00000 0.49399 24 3PZ 0.00000 0.00000 -0.32460 0.12953 0.00000 25 4XX -0.00157 0.01204 0.00000 -0.00000 -0.00040 26 4YY -0.01085 -0.01113 0.00000 -0.00000 0.00011 27 4ZZ 0.00406 0.00044 0.00000 -0.00000 0.00011 28 4XY -0.00031 -0.00000 0.00000 -0.00000 -0.03650 29 4XZ 0.00000 0.00000 0.01670 -0.00667 0.00000 30 4YZ 0.00000 0.00000 -0.00140 -0.00350 0.00000 31 3 C 1S 0.02337 0.00931 0.00000 -0.00000 0.06018 32 2S -0.04027 0.00177 0.00000 -0.00000 -0.11089 33 2PX 0.05214 0.04814 0.00000 -0.00000 0.06068 34 2PY 0.00136 -0.02489 0.00000 -0.00000 0.01623 35 2PZ 0.00000 0.00000 0.21535 -0.10498 0.00000 36 3S -0.16232 -0.22146 0.00000 -0.00000 -0.86526 37 3PX 0.22151 0.22818 0.00000 -0.00000 0.12062 38 3PY -0.22417 -0.07647 0.00000 -0.00000 0.02376 39 3PZ 0.00000 0.00000 0.35852 -0.14372 0.00000 40 4XX 0.00179 -0.00921 0.00000 -0.00000 0.01436 41 4YY 0.00234 0.01054 0.00000 -0.00000 -0.00395 42 4ZZ 0.00057 0.00154 0.00000 -0.00000 -0.00258 43 4XY 0.01295 0.00760 0.00000 -0.00000 0.00585 44 4XZ 0.00000 0.00000 -0.00733 0.00272 0.00000 45 4YZ 0.00000 0.00000 0.00824 -0.00210 0.00000 46 4 C 1S -0.01657 -0.00537 0.00000 -0.00000 -0.02993 47 2S 0.04808 0.01386 0.00000 -0.00000 0.06048 48 2PX 0.01045 0.06332 0.00000 -0.00000 -0.04715 49 2PY 0.06329 0.06811 0.00000 -0.00000 0.00267 50 2PZ 0.00000 0.00000 -0.23824 0.10090 0.00000 51 3S -0.00348 0.01104 0.00000 -0.00000 0.35697 52 3PX 0.04087 0.06941 0.00000 -0.00000 -0.13592 53 3PY 0.36644 0.26771 0.00000 -0.00000 0.07759 54 3PZ 0.00000 0.00000 -0.40899 0.16876 0.00000 55 4XX 0.00045 0.00574 0.00000 -0.00000 -0.00798 56 4YY -0.00609 -0.00771 0.00000 -0.00000 0.00288 57 4ZZ 0.00232 0.00081 0.00000 -0.00000 0.00030 58 4XY -0.00812 -0.00638 0.00000 -0.00000 -0.00369 59 4XZ 0.00000 0.00000 -0.00463 0.00313 0.00000 60 4YZ 0.00000 0.00000 -0.01214 0.00497 0.00000 61 5 C 1S -0.03100 -0.04208 0.00000 -0.00000 0.00058 62 2S 0.03750 0.06028 0.00000 -0.00000 -0.00086 63 2PX 0.09291 0.14674 0.00000 -0.00000 -0.00312 64 2PY 0.00004 0.00000 0.00000 -0.00000 -0.00278 65 2PZ 0.00000 0.00000 0.23995 -0.09575 0.00000 66 3S 0.78505 0.83316 0.00000 -0.00000 -0.01063 67 3PX 0.05316 0.27249 0.00000 -0.00000 -0.00842 68 3PY -0.00129 0.00000 0.00000 -0.00000 -0.06044 69 3PZ 0.00000 0.00000 0.42388 -0.16915 0.00000 70 4XX -0.00716 -0.01271 0.00000 -0.00000 0.00019 71 4YY 0.00691 0.00968 0.00000 -0.00000 -0.00013 72 4ZZ -0.00157 -0.00135 0.00000 -0.00000 0.00001 73 4XY 0.00003 -0.00000 0.00000 -0.00000 -0.00846 74 4XZ 0.00000 0.00000 0.01441 -0.00575 0.00000 75 4YZ 0.00000 0.00000 0.00031 0.00076 0.00000 76 6 C 1S -0.01587 -0.00537 0.00000 -0.00000 0.02990 77 2S 0.04704 0.01387 0.00000 -0.00000 -0.05994 78 2PX 0.01038 0.06332 0.00000 -0.00000 0.04474 79 2PY -0.06119 -0.06811 0.00000 -0.00000 0.00444 80 2PZ 0.00000 0.00000 -0.24225 0.09084 0.00000 81 3S -0.01804 0.01105 0.00000 -0.00000 -0.36236 82 3PX 0.04028 0.06941 0.00000 -0.00000 0.13554 83 3PY -0.36178 -0.26771 0.00000 -0.00000 0.08109 84 3PZ 0.00000 0.00000 -0.41281 0.15917 0.00000 85 4XX 0.00049 0.00574 0.00000 -0.00000 0.00766 86 4YY -0.00610 -0.00771 0.00000 -0.00000 -0.00261 87 4ZZ 0.00236 0.00081 0.00000 -0.00000 -0.00026 88 4XY 0.00793 0.00638 0.00000 -0.00000 -0.00369 89 4XZ 0.00000 0.00000 -0.00551 0.00092 0.00000 90 4YZ 0.00000 0.00000 0.01223 -0.00476 0.00000 91 7 C 1S 0.02313 0.00931 0.00000 -0.00000 -0.06009 92 2S -0.03935 0.00177 0.00000 -0.00000 0.11047 93 2PX 0.05223 0.04814 0.00000 -0.00000 -0.06221 94 2PY 0.00197 0.02489 0.00000 -0.00000 0.01345 95 2PZ 0.00000 0.00000 0.22846 -0.07212 0.00000 96 3S -0.16454 -0.22147 0.00000 -0.00000 0.86923 97 3PX 0.22828 0.22818 0.00000 -0.00000 -0.12196 98 3PY 0.22849 0.07647 0.00000 -0.00000 0.01669 99 3PZ 0.00000 0.00000 0.35897 -0.14259 0.00000 100 4XX 0.00158 -0.00921 0.00000 -0.00000 -0.01392 101 4YY 0.00238 0.01054 0.00000 -0.00000 0.00360 102 4ZZ 0.00064 0.00154 0.00000 -0.00000 0.00257 103 4XY -0.01280 -0.00760 0.00000 -0.00000 0.00573 104 4XZ 0.00000 0.00000 -0.00719 0.00307 0.00000 105 4YZ 0.00000 0.00000 -0.00742 0.00414 0.00000 106 8 H 1S 0.00311 0.02688 0.00000 -0.00000 -0.00534 107 2S 0.29127 0.23773 0.00000 -0.00000 -0.29135 108 9 H 1S -0.03941 -0.03306 0.00000 -0.00000 0.02424 109 2S -0.43789 -0.40479 0.00000 -0.00000 0.20576 110 10 H 1S -0.02935 -0.05487 0.00000 -0.00000 0.00091 111 2S -0.49313 -0.81513 0.00000 -0.00000 0.01622 112 11 H 1S -0.04007 -0.03306 0.00000 -0.00000 -0.02387 113 2S -0.45006 -0.40479 0.00000 -0.00000 -0.19786 114 12 H 1S 0.00246 0.02688 0.00000 -0.00000 0.00455 115 2S 0.28285 0.23773 0.00000 -0.00000 0.28126 116 13 C 1S 0.02912 -0.01034 0.00000 -0.00000 0.04551 117 2S -0.05917 0.03210 0.00000 -0.00000 -0.08379 118 2PX -0.04607 -0.05544 0.00000 -0.00000 -0.02303 119 2PY -0.00235 0.09603 0.00000 -0.00000 0.18695 120 2PZ 0.00000 0.00000 0.03387 -0.23371 0.00000 121 3S -0.34629 0.15760 0.00000 -0.00000 -0.56645 122 3PX 0.00975 -0.09323 0.00000 -0.00000 0.09102 123 3PY 0.30129 0.16149 0.00000 -0.00000 0.32145 124 3PZ 0.00000 0.00000 0.05012 -0.34588 0.00000 125 4XX -0.01671 -0.00534 0.00000 -0.00000 0.01408 126 4YY 0.02302 0.00625 0.00000 -0.00000 0.00038 127 4ZZ -0.00206 0.00044 0.00000 -0.00000 -0.00539 128 4XY 0.01639 -0.01159 0.00000 -0.00000 -0.02170 129 4XZ 0.00000 0.00000 -0.00194 -0.00937 0.00000 130 4YZ 0.00000 0.00000 -0.00410 0.01514 0.00000 131 14 C 1S -0.02280 0.00931 0.00000 -0.00000 0.02699 132 2S 0.06181 0.00177 0.00000 -0.00000 -0.04317 133 2PX -0.11931 -0.04563 0.00000 -0.00000 -0.08831 134 2PY -0.09461 0.02924 0.00000 -0.00000 0.02770 135 2PZ 0.00000 0.00000 -0.05177 0.23391 0.00000 136 3S -0.01755 -0.22147 0.00000 -0.00000 -0.52040 137 3PX -0.16622 -0.18031 0.00000 -0.00000 -0.19194 138 3PY 0.12614 0.15938 0.00000 -0.00000 -0.00416 139 3PZ 0.00000 0.00000 -0.05599 0.38217 0.00000 140 4XX 0.00815 -0.00010 0.00000 -0.00000 0.00437 141 4YY -0.01769 0.00143 0.00000 -0.00000 -0.00162 142 4ZZ 0.00286 0.00154 0.00000 -0.00000 -0.00101 143 4XY -0.00086 0.01368 0.00000 -0.00000 0.00553 144 4XZ 0.00000 0.00000 -0.00057 0.01124 0.00000 145 4YZ 0.00000 0.00000 0.00075 -0.00247 0.00000 146 15 C 1S 0.04016 -0.00537 0.00000 -0.00000 -0.01395 147 2S -0.07157 0.01387 0.00000 -0.00000 0.01566 148 2PX -0.10599 0.02732 0.00000 -0.00000 0.02090 149 2PY -0.07079 0.08889 0.00000 -0.00000 0.05621 150 2PZ 0.00000 0.00000 0.04246 -0.25521 0.00000 151 3S -0.65431 0.01105 0.00000 -0.00000 0.31005 152 3PX -0.31947 0.19714 0.00000 -0.00000 0.13768 153 3PY -0.23923 0.19396 0.00000 -0.00000 0.01459 154 3PZ 0.00000 0.00000 0.06856 -0.43709 0.00000 155 4XX -0.00694 0.00044 0.00000 -0.00000 -0.00172 156 4YY 0.01140 -0.00241 0.00000 -0.00000 0.00043 157 4ZZ 0.00040 0.00081 0.00000 -0.00000 -0.00090 158 4XY 0.00669 -0.00992 0.00000 -0.00000 -0.00585 159 4XZ 0.00000 0.00000 0.00075 -0.00861 0.00000 160 4YZ 0.00000 0.00000 0.00269 -0.01101 0.00000 161 16 C 1S 0.01576 -0.04208 0.00000 -0.00000 -0.02925 162 2S -0.01906 0.06028 0.00000 -0.00000 0.04299 163 2PX 0.02042 -0.07337 0.00000 -0.00000 -0.07960 164 2PY -0.04273 0.12708 0.00000 -0.00000 0.13516 165 2PZ 0.00000 0.00000 -0.03705 0.25568 0.00000 166 3S -0.39899 0.83316 0.00000 -0.00000 0.53459 167 3PX 0.11489 -0.13625 0.00000 -0.00000 -0.23705 168 3PY 0.03513 0.23599 0.00000 -0.00000 0.35197 169 3PZ 0.00000 0.00000 -0.06545 0.45167 0.00000 170 4XX 0.00003 0.00408 0.00000 -0.00000 0.00548 171 4YY 0.00010 -0.00711 0.00000 -0.00000 -0.00868 172 4ZZ 0.00080 -0.00135 0.00000 -0.00000 -0.00055 173 4XY -0.00474 0.01119 0.00000 -0.00000 0.00596 174 4XZ 0.00000 0.00000 0.00182 -0.00757 0.00000 175 4YZ 0.00000 0.00000 -0.00152 0.01335 0.00000 176 17 C 1S -0.02368 -0.00537 0.00000 -0.00000 0.01506 177 2S 0.02323 0.01386 0.00000 -0.00000 -0.04273 178 2PX -0.05422 -0.09064 0.00000 -0.00000 -0.07843 179 2PY -0.03393 0.02078 0.00000 -0.00000 0.05032 180 2PZ 0.00000 0.00000 0.03174 -0.25677 0.00000 181 3S 0.66525 0.01104 0.00000 -0.00000 -0.03877 182 3PX -0.02578 -0.26654 0.00000 -0.00000 -0.08067 183 3PY -0.00772 -0.07374 0.00000 -0.00000 0.04054 184 3PZ 0.00000 0.00000 0.05834 -0.43857 0.00000 185 4XX -0.00119 -0.00913 0.00000 -0.00000 -0.00191 186 4YY 0.00245 0.00717 0.00000 -0.00000 0.00555 187 4ZZ -0.00277 0.00081 0.00000 -0.00000 -0.00117 188 4XY 0.00508 -0.00353 0.00000 -0.00000 -0.01092 189 4XZ 0.00000 0.00000 -0.00134 0.01404 0.00000 190 4YZ 0.00000 0.00000 -0.00122 0.00167 0.00000 191 18 C 1S -0.00083 0.00931 0.00000 -0.00000 -0.03133 192 2S -0.02135 0.00177 0.00000 -0.00000 0.06418 193 2PX -0.11534 -0.00251 0.00000 -0.00000 0.06242 194 2PY -0.10211 0.05414 0.00000 -0.00000 0.04591 195 2PZ 0.00000 0.00000 -0.01676 0.23899 0.00000 196 3S 0.18368 -0.22146 0.00000 -0.00000 0.32071 197 3PX -0.05880 -0.04787 0.00000 -0.00000 0.17538 198 3PY -0.52002 0.23585 0.00000 -0.00000 0.07208 199 3PZ 0.00000 0.00000 -0.05480 0.38234 0.00000 200 4XX -0.00017 0.01131 0.00000 -0.00000 -0.00087 201 4YY 0.00560 -0.00997 0.00000 -0.00000 -0.00643 202 4ZZ -0.00347 0.00154 0.00000 -0.00000 0.00149 203 4XY -0.00629 0.00607 0.00000 -0.00000 0.01725 204 4XZ 0.00000 0.00000 0.00134 -0.00324 0.00000 205 4YZ 0.00000 0.00000 0.00228 -0.01076 0.00000 206 19 H 1S -0.03046 0.02688 0.00000 -0.00000 0.01742 207 2S -0.52759 0.23773 0.00000 -0.00000 0.11495 208 20 H 1S -0.01003 -0.03306 0.00000 -0.00000 0.00238 209 2S -0.32610 -0.40479 0.00000 -0.00000 -0.10085 210 21 H 1S 0.01491 -0.05487 0.00000 -0.00000 -0.04588 211 2S 0.25062 -0.81513 0.00000 -0.00000 -0.81562 212 22 H 1S 0.05042 -0.03306 0.00000 -0.00000 -0.02095 213 2S 0.77739 -0.40479 0.00000 -0.00000 -0.29657 214 23 H 1S 0.02763 0.02688 0.00000 -0.00000 0.02222 215 2S 0.23581 0.23773 0.00000 -0.00000 0.39263 216 24 C 1S 0.02818 -0.01034 0.00000 -0.00000 -0.04460 217 2S -0.05726 0.03210 0.00000 -0.00000 0.08213 218 2PX -0.04612 -0.05544 0.00000 -0.00000 0.01735 219 2PY 0.00316 -0.09603 0.00000 -0.00000 0.18625 220 2PZ 0.00000 0.00000 0.18546 0.14618 0.00000 221 3S -0.33507 0.15760 0.00000 -0.00000 0.55518 222 3PX 0.01542 -0.09324 0.00000 -0.00000 -0.10623 223 3PY -0.29500 -0.16148 0.00000 -0.00000 0.32488 224 3PZ 0.00000 0.00000 0.27448 0.21635 0.00000 225 4XX -0.01708 -0.00534 0.00000 -0.00000 -0.01489 226 4YY 0.02319 0.00625 0.00000 -0.00000 0.00072 227 4ZZ -0.00200 0.00044 0.00000 -0.00000 0.00528 228 4XY -0.01647 0.01159 0.00000 -0.00000 -0.02199 229 4XZ 0.00000 0.00000 0.00504 0.00813 0.00000 230 4YZ 0.00000 0.00000 0.01340 0.00816 0.00000 231 25 C 1S -0.00033 0.00931 0.00000 -0.00000 0.03310 232 2S -0.02246 0.00177 0.00000 -0.00000 -0.06731 233 2PX -0.11718 -0.00251 0.00000 -0.00000 -0.06291 234 2PY 0.10224 -0.05414 0.00000 -0.00000 0.04318 235 2PZ 0.00000 0.00000 -0.17669 -0.16179 0.00000 236 3S 0.18210 -0.22147 0.00000 -0.00000 -0.34883 237 3PX -0.05761 -0.04787 0.00000 -0.00000 -0.17500 238 3PY 0.51896 -0.23585 0.00000 -0.00000 0.06687 239 3PZ 0.00000 0.00000 -0.30297 -0.23958 0.00000 240 4XX 0.00009 0.01131 0.00000 -0.00000 0.00106 241 4YY 0.00549 -0.00997 0.00000 -0.00000 0.00652 242 4ZZ -0.00349 0.00154 0.00000 -0.00000 -0.00157 243 4XY 0.00650 -0.00607 0.00000 -0.00000 0.01738 244 4XZ 0.00000 0.00000 0.00320 0.00143 0.00000 245 4YZ 0.00000 0.00000 -0.00906 -0.00624 0.00000 246 26 C 1S -0.02430 -0.00537 0.00000 -0.00000 -0.01595 247 2S 0.02454 0.01387 0.00000 -0.00000 0.04428 248 2PX -0.05612 -0.09064 0.00000 -0.00000 0.07766 249 2PY 0.03480 -0.02078 0.00000 -0.00000 0.05098 250 2PZ 0.00000 0.00000 0.19979 0.16438 0.00000 251 3S 0.67235 0.01105 0.00000 -0.00000 0.05231 252 3PX -0.03347 -0.26654 0.00000 -0.00000 0.07902 253 3PY 0.01105 0.07374 0.00000 -0.00000 0.04598 254 3PZ 0.00000 0.00000 0.34425 0.27792 0.00000 255 4XX -0.00144 -0.00913 0.00000 -0.00000 0.00177 256 4YY 0.00258 0.00717 0.00000 -0.00000 -0.00553 257 4ZZ -0.00275 0.00081 0.00000 -0.00000 0.00116 258 4XY -0.00516 0.00353 0.00000 -0.00000 -0.01099 259 4XZ 0.00000 0.00000 -0.01064 -0.00927 0.00000 260 4YZ 0.00000 0.00000 0.00204 0.00037 0.00000 261 27 C 1S 0.01525 -0.04208 0.00000 -0.00000 0.02867 262 2S -0.01844 0.06028 0.00000 -0.00000 -0.04214 263 2PX 0.01962 -0.07337 0.00000 -0.00000 0.07811 264 2PY 0.04143 -0.12708 0.00000 -0.00000 0.13242 265 2PZ 0.00000 0.00000 -0.20290 -0.15993 0.00000 266 3S -0.38606 0.83316 0.00000 -0.00000 -0.52396 267 3PX 0.11557 -0.13625 0.00000 -0.00000 0.23442 268 3PY -0.03654 -0.23599 0.00000 -0.00000 0.34377 269 3PZ 0.00000 0.00000 -0.35843 -0.28252 0.00000 270 4XX 0.00011 0.00408 0.00000 -0.00000 -0.00562 271 4YY 0.00002 -0.00711 0.00000 -0.00000 0.00876 272 4ZZ 0.00077 -0.00135 0.00000 -0.00000 0.00054 273 4XY 0.00464 -0.01119 0.00000 -0.00000 0.00567 274 4XZ 0.00000 0.00000 0.00653 0.00424 0.00000 275 4YZ 0.00000 0.00000 0.01029 0.00864 0.00000 276 28 C 1S 0.04025 -0.00537 0.00000 -0.00000 0.01486 277 2S -0.07131 0.01386 0.00000 -0.00000 -0.01775 278 2PX -0.10609 0.02732 0.00000 -0.00000 -0.02152 279 2PY 0.07068 -0.08889 0.00000 -0.00000 0.05358 280 2PZ 0.00000 0.00000 0.20650 0.15587 0.00000 281 3S -0.66177 0.01104 0.00000 -0.00000 -0.31820 282 3PX -0.31649 0.19714 0.00000 -0.00000 -0.14038 283 3PY 0.23708 -0.19396 0.00000 -0.00000 0.01121 284 3PZ 0.00000 0.00000 0.35065 0.26981 0.00000 285 4XX -0.00698 0.00044 0.00000 -0.00000 0.00157 286 4YY 0.01137 -0.00241 0.00000 -0.00000 -0.00011 287 4ZZ 0.00045 0.00081 0.00000 -0.00000 0.00087 288 4XY -0.00661 0.00992 0.00000 -0.00000 -0.00560 289 4XZ 0.00000 0.00000 0.00647 0.00573 0.00000 290 4YZ 0.00000 0.00000 -0.00954 -0.00613 0.00000 291 29 C 1S -0.02254 0.00931 0.00000 -0.00000 -0.02885 292 2S 0.06162 0.00177 0.00000 -0.00000 0.04671 293 2PX -0.12121 -0.04563 0.00000 -0.00000 0.08726 294 2PY 0.09466 -0.02924 0.00000 -0.00000 0.02956 295 2PZ 0.00000 0.00000 -0.19859 -0.13401 0.00000 296 3S -0.02136 -0.22146 0.00000 -0.00000 0.54454 297 3PX -0.17487 -0.18032 0.00000 -0.00000 0.18984 298 3PY -0.12934 -0.15938 0.00000 -0.00000 0.00050 299 3PZ 0.00000 0.00000 -0.30372 -0.23863 0.00000 300 4XX 0.00808 -0.00010 0.00000 -0.00000 -0.00414 301 4YY -0.01764 0.00143 0.00000 -0.00000 0.00103 302 4ZZ 0.00290 0.00154 0.00000 -0.00000 0.00109 303 4XY 0.00072 -0.01368 0.00000 -0.00000 0.00518 304 4XZ 0.00000 0.00000 -0.00815 -0.00776 0.00000 305 4YZ 0.00000 0.00000 -0.00224 -0.00128 0.00000 306 30 H 1S 0.02799 0.02688 0.00000 -0.00000 -0.02197 307 2S 0.24475 0.23773 0.00000 -0.00000 -0.39621 308 31 H 1S 0.05010 -0.03306 0.00000 -0.00000 0.02149 309 2S 0.77616 -0.40479 0.00000 -0.00000 0.29871 310 32 H 1S 0.01443 -0.05487 0.00000 -0.00000 0.04497 311 2S 0.24250 -0.81513 0.00000 -0.00000 0.79940 312 33 H 1S -0.01102 -0.03306 0.00000 -0.00000 -0.00329 313 2S -0.33950 -0.40479 0.00000 -0.00000 0.09081 314 34 H 1S -0.03073 0.02688 0.00000 -0.00000 -0.01688 315 2S -0.52708 0.23773 0.00000 -0.00000 -0.10128 81 82 83 84 85 (E')--V (A")--V (A')--V (A')--V (E')--V Eigenvalues -- 0.03337 0.04173 0.04615 0.05447 0.06440 1 1 C 1S -0.00000 0.00000 -0.00000 -0.14907 0.00000 2 2S 0.00000 0.00000 0.00000 0.27702 -0.00000 3 2PX -0.26806 0.00000 0.00000 0.00000 -0.08334 4 2PY -0.00467 0.00000 -0.00000 0.00000 -0.00116 5 2PZ 0.00000 0.25126 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 0.00000 1.91568 -0.00000 7 3PX -0.45455 0.00000 0.00000 0.00000 -0.19908 8 3PY -0.00791 0.00000 -0.00000 -0.00000 -0.00277 9 3PZ 0.00000 0.41251 0.00000 0.00000 0.00000 10 4XX 0.03819 0.00000 -0.00000 -0.02231 0.02053 11 4YY -0.03819 0.00000 -0.00000 -0.02231 -0.02053 12 4ZZ 0.00000 0.00000 0.00000 0.01190 -0.00000 13 4XY -0.00077 0.00000 0.00000 0.00000 -0.00033 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.05203 0.00000 0.00000 0.09595 -0.04733 17 2S 0.09580 0.00000 -0.00000 -0.19009 0.07742 18 2PX -0.19826 0.00000 0.00000 0.14687 -0.03985 19 2PY -0.00264 0.00000 0.07038 -0.00000 -0.00043 20 2PZ 0.00000 -0.26388 0.00000 0.00000 0.00000 21 3S 0.64757 0.00000 -0.00000 -0.97808 0.82271 22 3PX -0.26622 0.00000 0.00000 0.42477 0.18134 23 3PY -0.00859 0.00000 0.01088 -0.00000 -0.00154 24 3PZ 0.00000 -0.40036 0.00000 0.00000 0.00000 25 4XX -0.02295 0.00000 0.00000 0.02446 0.00222 26 4YY 0.00643 0.00000 -0.00000 -0.00082 -0.00951 27 4ZZ 0.00616 0.00000 -0.00000 -0.00662 0.00233 28 4XY 0.00064 0.00000 -0.00944 -0.00000 0.00026 29 4XZ 0.00000 -0.00595 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00143 0.00000 0.01224 -0.04864 0.02117 32 2S -0.01009 0.00000 -0.03174 0.08879 0.00489 33 2PX -0.04491 0.00000 -0.03360 -0.04249 0.05756 34 2PY 0.07956 0.00000 0.04909 -0.01793 0.01926 35 2PZ 0.00000 0.14513 0.00000 0.00000 0.00000 36 3S 0.12923 0.00000 0.00117 0.53632 -0.88602 37 3PX -0.04046 0.00000 -0.09777 -0.17260 0.00285 38 3PY 0.20327 0.00000 0.01399 0.12855 0.12266 39 3PZ 0.00000 0.31858 0.00000 0.00000 0.00000 40 4XX 0.01247 0.00000 0.00682 -0.01317 -0.01037 41 4YY -0.01005 0.00000 -0.00214 0.00362 0.00849 42 4ZZ -0.00023 0.00000 -0.00155 0.00018 0.00427 43 4XY 0.00337 0.00000 0.00832 -0.01524 0.00923 44 4XZ 0.00000 -0.00229 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.01483 0.00000 0.00000 0.00000 46 4 C 1S -0.00011 0.00000 -0.04162 0.00199 0.04769 47 2S 0.01442 0.00000 0.06461 -0.03489 -0.10372 48 2PX -0.06838 0.00000 0.04502 0.08519 -0.08252 49 2PY -0.05092 0.00000 0.13597 -0.00427 -0.03563 50 2PZ 0.00000 -0.14402 0.00000 0.00000 0.00000 51 3S -0.16133 0.00000 0.79113 0.29357 -0.35400 52 3PX -0.00864 0.00000 0.20535 0.21936 -0.59236 53 3PY -0.10206 0.00000 0.38499 -0.33212 -0.24879 54 3PZ 0.00000 -0.28336 0.00000 0.00000 0.00000 55 4XX -0.00910 0.00000 -0.00546 0.00995 0.00355 56 4YY 0.00784 0.00000 0.00201 -0.00537 0.00984 57 4ZZ 0.00118 0.00000 -0.00072 -0.00348 -0.00317 58 4XY 0.00013 0.00000 -0.00389 0.00680 -0.01206 59 4XZ 0.00000 -0.00440 0.00000 0.00000 0.00000 60 4YZ 0.00000 -0.00643 0.00000 0.00000 0.00000 61 5 C 1S 0.03344 0.00000 -0.00000 0.02282 -0.07897 62 2S -0.04915 0.00000 0.00000 -0.01737 0.15558 63 2PX -0.17932 0.00000 0.00000 0.04173 0.07984 64 2PY 0.00005 0.00000 -0.02080 0.00000 -0.00010 65 2PZ 0.00000 0.14434 0.00000 0.00000 0.00000 66 3S -0.61116 0.00000 0.00000 -0.79029 1.13742 67 3PX -0.48398 0.00000 0.00000 0.30844 0.65161 68 3PY 0.00105 0.00000 -0.24675 0.00000 -0.00160 69 3PZ 0.00000 0.26562 0.00000 0.00000 0.00000 70 4XX 0.01098 0.00000 -0.00000 -0.00795 0.00297 71 4YY -0.00733 0.00000 -0.00000 0.00541 -0.01711 72 4ZZ 0.00063 0.00000 -0.00000 0.00263 0.00283 73 4XY 0.00015 0.00000 0.00122 0.00000 0.00009 74 4XZ 0.00000 0.00865 0.00000 0.00000 0.00000 75 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00116 0.00000 0.04162 0.00199 0.04781 77 2S 0.01652 0.00000 -0.06461 -0.03488 -0.10390 78 2PX -0.06998 0.00000 -0.04502 0.08519 -0.08426 79 2PY 0.05079 0.00000 0.13597 0.00427 0.03803 80 2PZ 0.00000 -0.14402 0.00000 0.00000 0.00000 81 3S -0.14880 0.00000 -0.79113 0.29357 -0.35608 82 3PX -0.01335 0.00000 -0.20535 0.21936 -0.60158 83 3PY 0.09929 0.00000 0.38499 0.33212 0.25472 84 3PZ 0.00000 -0.28336 0.00000 0.00000 0.00000 85 4XX -0.00937 0.00000 0.00546 0.00995 0.00356 86 4YY 0.00794 0.00000 -0.00201 -0.00537 0.00984 87 4ZZ 0.00119 0.00000 0.00072 -0.00348 -0.00318 88 4XY -0.00001 0.00000 -0.00389 -0.00680 0.01208 89 4XZ 0.00000 -0.00440 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00643 0.00000 0.00000 0.00000 91 7 C 1S 0.00352 0.00000 -0.01224 -0.04864 0.02192 92 2S -0.01394 0.00000 0.03174 0.08879 0.00358 93 2PX -0.04277 0.00000 0.03360 -0.04249 0.05902 94 2PY -0.08008 0.00000 0.04909 0.01793 -0.01918 95 2PZ 0.00000 0.14513 0.00000 0.00000 0.00000 96 3S 0.09906 0.00000 -0.00117 0.53632 -0.90137 97 3PX -0.03624 0.00000 0.09777 -0.17260 -0.00030 98 3PY -0.20398 0.00000 0.01399 -0.12855 -0.12193 99 3PZ 0.00000 0.31858 0.00000 0.00000 0.00000 100 4XX 0.01296 0.00000 -0.00682 -0.01317 -0.01026 101 4YY -0.01018 0.00000 0.00214 0.00362 0.00845 102 4ZZ -0.00032 0.00000 0.00155 0.00018 0.00424 103 4XY -0.00357 0.00000 0.00832 0.01524 -0.00919 104 4XZ 0.00000 -0.00229 0.00000 0.00000 0.00000 105 4YZ 0.00000 -0.01483 0.00000 0.00000 0.00000 106 8 H 1S -0.02257 0.00000 0.01449 0.01012 0.00099 107 2S -0.28516 0.00000 0.17251 -0.32619 0.39757 108 9 H 1S 0.01020 0.00000 0.02840 0.01860 0.02404 109 2S 0.22365 0.00000 0.87444 0.05450 0.73891 110 10 H 1S 0.05245 0.00000 -0.00000 -0.02370 -0.03157 111 2S 0.93243 0.00000 -0.00000 -0.07805 -1.13320 112 11 H 1S 0.01104 0.00000 -0.02840 0.01860 0.02391 113 2S 0.23069 0.00000 -0.87444 0.05450 0.72642 114 12 H 1S -0.02275 0.00000 -0.01449 0.01012 0.00091 115 2S -0.29512 0.00000 -0.17250 -0.32619 0.38922 116 13 C 1S 0.02523 0.00000 0.00000 0.09595 0.02310 117 2S -0.04645 0.00000 -0.00000 -0.19009 -0.03778 118 2PX -0.16294 0.00000 -0.06095 -0.07344 -0.03333 119 2PY 0.01694 0.00000 -0.03519 0.12719 0.00321 120 2PZ 0.00000 -0.26388 0.00000 0.00000 0.00000 121 3S -0.31403 0.00000 -0.00000 -0.97808 -0.40144 122 3PX -0.43876 0.00000 -0.00942 -0.21239 -0.03944 123 3PY -0.10425 0.00000 -0.00544 0.36787 -0.12495 124 3PZ 0.00000 -0.40036 0.00000 0.00000 0.00000 125 4XX -0.02350 0.00000 -0.00708 0.00550 -0.00889 126 4YY 0.03151 0.00000 0.00708 0.01814 0.01244 127 4ZZ -0.00299 0.00000 -0.00000 -0.00662 -0.00114 128 4XY 0.00884 0.00000 0.00472 -0.01264 0.01092 129 4XZ 0.00000 0.00298 0.00000 0.00000 0.00000 130 4YZ 0.00000 -0.00516 0.00000 0.00000 0.00000 131 14 C 1S -0.05380 0.00000 -0.01224 -0.04864 -0.03416 132 2S 0.10264 0.00000 0.03174 0.08879 0.03915 133 2PX -0.02852 0.00000 -0.05931 0.00572 0.03133 134 2PY -0.05398 0.00000 0.00455 -0.04576 -0.06774 135 2PZ 0.00000 0.14513 0.00000 0.00000 0.00000 136 3S 0.70325 0.00000 -0.00117 0.53632 0.91806 137 3PX -0.05709 0.00000 -0.06100 0.19762 -0.08092 138 3PY -0.13399 0.00000 0.07768 -0.08520 0.06672 139 3PZ 0.00000 0.31858 0.00000 0.00000 0.00000 140 4XX 0.00658 0.00000 0.00614 0.01085 0.00082 141 4YY -0.01692 0.00000 -0.01082 -0.02040 -0.00193 142 4ZZ 0.00239 0.00000 0.00155 0.00018 -0.00109 143 4XY 0.01000 0.00000 0.00032 0.00078 -0.00397 144 4XZ 0.00000 0.01399 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00543 0.00000 0.00000 0.00000 146 15 C 1S 0.02648 0.00000 0.04162 0.00199 -0.02685 147 2S -0.06017 0.00000 -0.06461 -0.03488 0.05628 148 2PX -0.01821 0.00000 -0.09525 -0.04630 0.03319 149 2PY 0.07463 0.00000 -0.10697 0.07164 0.12934 150 2PZ 0.00000 -0.14402 0.00000 0.00000 0.00000 151 3S -0.23941 0.00000 -0.79113 0.29357 0.23807 152 3PX -0.07985 0.00000 -0.23073 -0.39730 -0.02281 153 3PY 0.09715 0.00000 -0.37034 0.02391 0.65712 154 3PZ 0.00000 -0.28336 0.00000 0.00000 0.00000 155 4XX -0.00424 0.00000 -0.00306 -0.00664 -0.00914 156 4YY 0.00933 0.00000 0.00651 0.01122 0.00225 157 4ZZ -0.00082 0.00000 0.00072 -0.00348 0.00190 158 4XY -0.00718 0.00000 -0.00178 -0.00426 0.00169 159 4XZ 0.00000 -0.00337 0.00000 0.00000 0.00000 160 4YZ 0.00000 -0.00703 0.00000 0.00000 0.00000 161 16 C 1S -0.01621 0.00000 -0.00000 0.02282 0.03853 162 2S 0.02384 0.00000 0.00000 -0.01737 -0.07592 163 2PX -0.04137 0.00000 0.01802 -0.02087 0.01386 164 2PY 0.07653 0.00000 0.01040 0.03614 -0.03698 165 2PZ 0.00000 0.14434 0.00000 0.00000 0.00000 166 3S 0.29637 0.00000 0.00000 -0.79029 -0.55500 167 3PX -0.07156 0.00000 0.21369 -0.15422 0.07209 168 3PY 0.22969 0.00000 0.12338 0.26712 -0.32552 169 3PZ 0.00000 0.26562 0.00000 0.00000 0.00000 170 4XX -0.00421 0.00000 0.00092 0.00207 0.00165 171 4YY 0.00244 0.00000 -0.00092 -0.00461 0.00525 172 4ZZ -0.00030 0.00000 -0.00000 0.00263 -0.00138 173 4XY 0.00814 0.00000 -0.00061 0.00668 0.00773 174 4XZ 0.00000 -0.00432 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00749 0.00000 0.00000 0.00000 176 17 C 1S -0.02586 0.00000 -0.04162 0.00199 -0.01975 177 2S 0.04516 0.00000 0.06461 -0.03489 0.04503 178 2PX -0.02073 0.00000 -0.14026 -0.03890 0.05679 179 2PY -0.01964 0.00000 -0.02900 0.07592 0.01658 180 2PZ 0.00000 -0.14402 0.00000 0.00000 0.00000 181 3S 0.38981 0.00000 0.79113 0.29357 0.10841 182 3PX -0.04568 0.00000 -0.43609 0.17794 0.05361 183 3PY -0.15731 0.00000 -0.01466 0.35603 0.03338 184 3PZ 0.00000 -0.28336 0.00000 0.00000 0.00000 185 4XX -0.00411 0.00000 -0.00278 0.00355 0.00010 186 4YY 0.00032 0.00000 -0.00067 0.00102 -0.00627 187 4ZZ -0.00033 0.00000 -0.00072 -0.00348 0.00119 188 4XY 0.00210 0.00000 0.00568 -0.01106 -0.00411 189 4XZ 0.00000 0.00777 0.00000 0.00000 0.00000 190 4YZ 0.00000 -0.00060 0.00000 0.00000 0.00000 191 18 C 1S 0.05140 0.00000 0.01224 -0.04864 0.01314 192 2S -0.09099 0.00000 -0.03174 0.08879 -0.04328 193 2PX -0.01522 0.00000 -0.02572 0.03677 0.00168 194 2PY 0.07782 0.00000 -0.05364 -0.02783 0.02111 195 2PZ 0.00000 0.14513 0.00000 0.00000 0.00000 196 3S -0.81395 0.00000 0.00117 0.53632 -0.04590 197 3PX 0.00785 0.00000 0.03677 -0.02503 0.12131 198 3PY 0.14851 0.00000 -0.09167 -0.21374 -0.04484 199 3PZ 0.00000 0.31858 0.00000 0.00000 0.00000 200 4XX 0.00529 0.00000 0.00634 -0.01201 -0.00620 201 4YY 0.00252 0.00000 -0.00166 0.00245 0.00911 202 4ZZ -0.00212 0.00000 -0.00155 0.00018 -0.00307 203 4XY -0.00399 0.00000 -0.00864 0.01602 -0.00406 204 4XZ 0.00000 -0.01170 0.00000 0.00000 0.00000 205 4YZ 0.00000 -0.00940 0.00000 0.00000 0.00000 206 19 H 1S 0.01532 0.00000 -0.01449 0.01012 0.00225 207 2S 0.39114 0.00000 -0.17250 -0.32619 0.06994 208 20 H 1S -0.02619 0.00000 -0.02840 0.01860 -0.00758 209 2S -0.28669 0.00000 -0.87444 0.05450 0.03386 210 21 H 1S -0.02544 0.00000 -0.00000 -0.02370 0.01541 211 2S -0.45216 0.00000 -0.00000 -0.07805 0.55294 212 22 H 1S 0.01589 0.00000 0.02840 0.01860 -0.01582 213 2S 0.06637 0.00000 0.87444 0.05450 -0.74887 214 23 H 1S 0.00666 0.00000 0.01449 0.01012 -0.00318 215 2S -0.10974 0.00000 0.17251 -0.32619 -0.45386 216 24 C 1S 0.02680 0.00000 0.00000 0.09595 0.02424 217 2S -0.04934 0.00000 -0.00000 -0.19009 -0.03964 218 2PX -0.16364 0.00000 0.06095 -0.07344 -0.03343 219 2PY -0.02344 0.00000 -0.03519 -0.12719 -0.00426 220 2PZ 0.00000 -0.26388 0.00000 0.00000 0.00000 221 3S -0.33354 0.00000 -0.00000 -0.97808 -0.42127 222 3PX -0.43533 0.00000 0.00942 -0.21239 -0.03592 223 3PY 0.09300 0.00000 -0.00544 -0.36787 0.12796 224 3PZ 0.00000 -0.40036 0.00000 0.00000 0.00000 225 4XX -0.02300 0.00000 0.00708 0.00550 -0.00854 226 4YY 0.03151 0.00000 -0.00708 0.01814 0.01227 227 4ZZ -0.00317 0.00000 -0.00000 -0.00662 -0.00119 228 4XY -0.00808 0.00000 0.00472 0.01264 -0.01094 229 4XZ 0.00000 0.00298 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00516 0.00000 0.00000 0.00000 231 25 C 1S 0.05028 0.00000 -0.01224 -0.04864 0.01224 232 2S -0.08870 0.00000 0.03174 0.08879 -0.04273 233 2PX -0.01304 0.00000 0.02572 0.03677 0.00311 234 2PY -0.07937 0.00000 -0.05364 0.02783 -0.01948 235 2PZ 0.00000 0.14513 0.00000 0.00000 0.00000 236 3S -0.80230 0.00000 -0.00117 0.53632 -0.01668 237 3PX 0.01394 0.00000 -0.03677 -0.02503 0.12277 238 3PY -0.15093 0.00000 -0.09167 0.21375 0.04221 239 3PZ 0.00000 0.31858 0.00000 0.00000 0.00000 240 4XX 0.00526 0.00000 -0.00634 -0.01201 -0.00644 241 4YY 0.00229 0.00000 0.00166 0.00245 0.00936 242 4ZZ -0.00207 0.00000 0.00155 0.00018 -0.00316 243 4XY 0.00339 0.00000 -0.00864 -0.01602 0.00415 244 4XZ 0.00000 -0.01170 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00940 0.00000 0.00000 0.00000 246 26 C 1S -0.02532 0.00000 0.04162 0.00199 -0.02096 247 2S 0.04365 0.00000 -0.06461 -0.03488 0.04762 248 2PX -0.02345 0.00000 0.14026 -0.03890 0.05354 249 2PY 0.01788 0.00000 -0.02900 -0.07592 -0.01803 250 2PZ 0.00000 -0.14402 0.00000 0.00000 0.00000 251 3S 0.38822 0.00000 -0.79113 0.29357 0.11800 252 3PX -0.04846 0.00000 0.43609 0.17794 0.03629 253 3PY 0.15581 0.00000 -0.01465 -0.35603 -0.04531 254 3PZ 0.00000 -0.28336 0.00000 0.00000 0.00000 255 4XX -0.00417 0.00000 0.00278 0.00355 0.00012 256 4YY 0.00051 0.00000 0.00067 0.00102 -0.00663 257 4ZZ -0.00037 0.00000 0.00072 -0.00348 0.00127 258 4XY -0.00172 0.00000 0.00568 0.01106 0.00434 259 4XZ 0.00000 0.00777 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00060 0.00000 0.00000 0.00000 261 27 C 1S -0.01722 0.00000 -0.00000 0.02282 0.04044 262 2S 0.02532 0.00000 0.00000 -0.01737 -0.07966 263 2PX -0.04411 0.00000 -0.01802 -0.02087 0.01491 264 2PY -0.08118 0.00000 0.01040 -0.03614 0.03860 265 2PZ 0.00000 0.14434 0.00000 0.00000 0.00000 266 3S 0.31479 0.00000 0.00000 -0.79029 -0.58242 267 3PX -0.07977 0.00000 -0.21369 -0.15422 0.08133 268 3PY -0.24179 0.00000 0.12337 -0.26712 0.33832 269 3PZ 0.00000 0.26562 0.00000 0.00000 0.00000 270 4XX -0.00402 0.00000 -0.00092 0.00207 0.00200 271 4YY 0.00214 0.00000 0.00092 -0.00461 0.00523 272 4ZZ -0.00032 0.00000 -0.00000 0.00263 -0.00145 273 4XY -0.00834 0.00000 -0.00061 -0.00668 -0.00793 274 4XZ 0.00000 -0.00432 0.00000 0.00000 0.00000 275 4YZ 0.00000 -0.00749 0.00000 0.00000 0.00000 276 28 C 1S 0.02597 0.00000 -0.04162 0.00199 -0.02794 277 2S -0.05959 0.00000 0.06461 -0.03489 0.05869 278 2PX -0.01747 0.00000 0.09525 -0.04630 0.03235 279 2PY -0.07654 0.00000 -0.10697 -0.07164 -0.13017 280 2PZ 0.00000 -0.14402 0.00000 0.00000 0.00000 281 3S -0.22848 0.00000 0.79113 0.29357 0.24559 282 3PX -0.07501 0.00000 0.23074 -0.39730 -0.02501 283 3PY -0.09760 0.00000 -0.37033 -0.02392 -0.66713 284 3PZ 0.00000 -0.28336 0.00000 0.00000 0.00000 285 4XX -0.00430 0.00000 0.00306 -0.00664 -0.00955 286 4YY 0.00934 0.00000 -0.00651 0.01122 0.00234 287 4ZZ -0.00085 0.00000 -0.00072 -0.00348 0.00197 288 4XY 0.00738 0.00000 -0.00178 0.00426 -0.00176 289 4XZ 0.00000 -0.00337 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00703 0.00000 0.00000 0.00000 291 29 C 1S -0.05283 0.00000 0.01224 -0.04864 -0.03430 292 2S 0.10108 0.00000 -0.03174 0.08879 0.03840 293 2PX -0.03157 0.00000 0.05931 0.00572 0.03123 294 2PY 0.05298 0.00000 0.00455 0.04576 0.06858 295 2PZ 0.00000 0.14513 0.00000 0.00000 0.00000 296 3S 0.68472 0.00000 0.00117 0.53632 0.93192 297 3PX -0.06373 0.00000 0.06100 0.19762 -0.08298 298 3PY 0.13405 0.00000 0.07768 0.08520 -0.06368 299 3PZ 0.00000 0.31858 0.00000 0.00000 0.00000 300 4XX 0.00673 0.00000 -0.00614 0.01085 0.00091 301 4YY -0.01696 0.00000 0.01082 -0.02040 -0.00194 302 4ZZ 0.00235 0.00000 -0.00155 0.00018 -0.00120 303 4XY -0.01018 0.00000 0.00032 -0.00078 0.00436 304 4XZ 0.00000 0.01399 0.00000 0.00000 0.00000 305 4YZ 0.00000 -0.00543 0.00000 0.00000 0.00000 306 30 H 1S 0.00743 0.00000 -0.01449 0.01012 -0.00316 307 2S -0.09602 0.00000 -0.17250 -0.32619 -0.45917 308 31 H 1S 0.01515 0.00000 -0.02840 0.01860 -0.01633 309 2S 0.05601 0.00000 -0.87444 0.05450 -0.76028 310 32 H 1S -0.02702 0.00000 -0.00000 -0.02370 0.01617 311 2S -0.48026 0.00000 -0.00000 -0.07805 0.58025 312 33 H 1S -0.02609 0.00000 0.02840 0.01860 -0.00822 313 2S -0.29002 0.00000 0.87444 0.05450 0.00996 314 34 H 1S 0.01591 0.00000 0.01449 0.01012 0.00219 315 2S 0.39490 0.00000 0.17251 -0.32619 0.05629 86 87 88 89 90 (E')--V (A')--V (E')--V (E')--V (E')--V Eigenvalues -- 0.06440 0.07914 0.08645 0.08645 0.14836 1 1 C 1S 0.00000 -0.00702 -0.00000 -0.00000 0.00000 2 2S 0.00000 0.02577 0.00000 0.00000 -0.00000 3 2PX 0.00116 0.00000 0.00033 -0.15433 0.19789 4 2PY -0.08334 -0.00000 0.15433 0.00033 0.00193 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.00000 -0.20050 -0.00000 0.00000 -0.00000 7 3PX 0.00277 0.00000 0.00129 -0.60625 -0.36629 8 3PY -0.19908 -0.00000 0.60625 0.00129 -0.00357 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.00029 -0.00324 -0.00003 0.01218 -0.01523 11 4YY 0.00029 -0.00324 0.00003 -0.01218 0.01523 12 4ZZ 0.00000 0.00258 0.00000 0.00000 -0.00000 13 4XY -0.02370 0.00000 0.01406 0.00003 0.00017 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00066 -0.00439 0.00012 -0.05862 -0.01202 17 2S -0.00108 0.03909 -0.00027 0.12442 0.04244 18 2PX 0.00055 0.04258 -0.00000 0.00183 0.18891 19 2PY -0.03123 0.00000 -0.05263 -0.00011 0.00143 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S -0.01145 -0.24408 -0.00129 0.60557 0.36243 22 3PX -0.00252 -0.21444 0.00092 -0.43287 -0.12929 23 3PY -0.11069 -0.00000 -0.08266 -0.00018 0.00872 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX -0.00003 0.00243 0.00002 -0.00890 0.02014 26 4YY 0.00013 -0.00665 0.00002 -0.01066 -0.01560 27 4ZZ -0.00003 0.00348 -0.00001 0.00693 -0.00134 28 4XY 0.01848 -0.00000 -0.01815 -0.00004 -0.00007 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.02739 0.01701 -0.01777 0.04042 0.01274 32 2S 0.04716 -0.05698 0.02673 -0.08938 -0.00771 33 2PX -0.05338 0.00404 0.04533 0.02323 0.00320 34 2PY 0.00275 -0.03347 0.12327 -0.00108 0.04313 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.56454 0.17810 0.26731 -0.23413 -0.13689 37 3PX 0.11323 0.15675 -0.11267 0.27000 0.44296 38 3PY 0.02460 -0.29732 0.33109 -0.29036 -0.23988 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX -0.00363 0.00347 0.00120 0.00537 -0.01551 41 4YY 0.00136 0.00296 0.00093 0.00618 0.02794 42 4ZZ 0.00108 -0.00382 -0.00088 -0.00331 -0.00107 43 4XY 0.00117 0.00116 -0.00434 0.01068 0.01065 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00473 -0.04023 0.04205 -0.02413 0.01297 47 2S 0.00789 0.09289 -0.06231 0.07708 0.00094 48 2PX 0.06385 0.07085 -0.08095 0.01062 0.07231 49 2PY 0.08693 0.04666 -0.11350 0.03837 0.02858 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.07920 0.22140 -0.79259 -0.13290 -0.67843 52 3PX 0.33957 0.42007 -0.28408 0.16557 0.17136 53 3PY 0.21652 0.46333 -0.43776 0.58082 0.64983 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX -0.00020 -0.00526 0.00837 -0.01040 -0.00648 56 4YY -0.00039 -0.00588 -0.00369 0.00089 0.00432 57 4ZZ 0.00045 0.00301 -0.00007 0.00399 0.00121 58 4XY 0.00091 0.00636 -0.00555 -0.00148 -0.00875 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00110 0.05323 -0.00004 0.01884 -0.01170 62 2S -0.00216 -0.11846 0.00014 -0.06470 -0.00521 63 2PX -0.00111 -0.07130 0.00020 -0.09190 -0.11304 64 2PY -0.00743 -0.00000 0.05626 0.00012 0.00166 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.01583 -0.48560 -0.00053 0.25199 0.76738 67 3PX -0.00907 -0.68295 0.00160 -0.75148 -0.82527 68 3PY -0.11492 0.00000 0.36537 0.00078 0.01058 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.00004 -0.00197 -0.00001 0.00273 -0.00321 71 4YY 0.00024 0.01528 -0.00002 0.00745 0.00843 72 4ZZ -0.00004 -0.00388 0.00001 -0.00433 -0.00353 73 4XY 0.00650 -0.00000 0.00431 0.00001 0.00031 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00340 -0.04023 -0.04195 -0.02431 0.01185 77 2S -0.00500 0.09289 0.06198 0.07735 0.00219 78 2PX -0.06153 0.07085 0.08091 0.01097 0.07263 79 2PY 0.08590 -0.04665 -0.11334 -0.03885 -0.02643 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S -0.06932 0.22140 0.79315 -0.12952 -0.64652 82 3PX -0.32296 0.42007 0.28337 0.16677 0.16879 83 3PY 0.20951 -0.46333 -0.43528 -0.58267 -0.64242 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.00011 -0.00526 -0.00832 -0.01043 -0.00675 86 4YY 0.00012 -0.00588 0.00369 0.00091 0.00446 87 4ZZ -0.00036 0.00301 0.00005 0.00399 0.00122 88 4XY 0.00058 -0.00636 -0.00555 0.00146 0.00841 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.02679 0.01701 0.01760 0.04049 0.01319 92 2S -0.04727 -0.05698 -0.02634 -0.08949 -0.00909 93 2PX 0.05175 0.00404 -0.04542 0.02303 0.00168 94 2PY 0.00329 0.03347 0.12327 0.00160 -0.04107 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.53967 0.17810 -0.26631 -0.23527 -0.14088 97 3PX -0.11327 0.15675 0.11151 0.27048 0.42634 98 3PY 0.02800 0.29732 0.32986 0.29176 0.24691 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.00391 0.00347 -0.00122 0.00537 -0.01542 101 4YY -0.00159 0.00296 -0.00095 0.00617 0.02779 102 4ZZ -0.00119 -0.00382 0.00089 -0.00331 -0.00109 103 4XY 0.00142 -0.00116 -0.00430 -0.01070 -0.01024 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.00310 0.03378 0.02380 0.02993 0.03454 107 2S 0.29453 0.27499 0.39272 0.48063 0.63493 108 9 H 1S 0.00439 -0.03561 -0.01200 -0.03499 -0.02296 109 2S 0.43811 -0.78738 -0.92296 -0.59865 -0.41433 110 10 H 1S 0.00044 0.02903 -0.00007 0.03345 0.00113 111 2S 0.01577 0.92483 -0.00158 0.74090 0.57794 112 11 H 1S -0.00505 -0.03561 0.01215 -0.03494 -0.02406 113 2S -0.45850 -0.78739 0.92550 -0.59472 -0.41438 114 12 H 1S -0.00313 0.03378 -0.02393 0.02983 0.03373 115 2S -0.30548 0.27500 -0.39476 0.47895 0.62825 116 13 C 1S -0.04132 -0.00439 0.05070 0.02942 0.00591 117 2S 0.06758 0.03909 -0.10762 -0.06244 -0.02086 118 2PX 0.00420 -0.02129 -0.02208 0.03988 0.15689 119 2PY -0.03775 0.03687 -0.01457 0.02197 -0.01664 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 0.71821 -0.24408 -0.52380 -0.30390 -0.17815 122 3PX -0.12593 0.10722 -0.22313 -0.04670 0.64324 123 3PY 0.11009 -0.18571 0.30351 0.22387 0.44476 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.01250 -0.00438 0.01567 -0.00664 0.00803 126 4YY 0.00614 0.00016 0.00125 0.01646 -0.01026 127 4ZZ 0.00203 0.00348 -0.00600 -0.00348 0.00066 128 4XY -0.00061 -0.00454 -0.00379 0.00829 0.00562 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00559 0.01701 -0.04387 -0.00500 -0.02630 132 2S 0.02673 -0.05698 0.09067 0.02193 0.06576 133 2PX 0.00319 -0.03100 0.05319 -0.06633 0.02855 134 2PY 0.03098 -0.01324 0.03391 -0.09702 0.09307 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -0.51078 0.17810 0.33691 -0.11300 0.24606 137 3PX 0.07538 -0.33586 0.50665 -0.10172 0.11224 138 3PY 0.10862 -0.01291 -0.04234 -0.10338 0.67409 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX -0.00313 0.00222 0.00390 -0.00265 -0.01399 141 4YY 0.00040 0.00421 -0.01281 -0.00500 0.01061 142 4ZZ 0.00427 -0.00382 0.00242 0.00243 0.00146 143 4XY 0.01382 0.00032 -0.00612 -0.00090 0.00123 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.03970 -0.04023 0.04202 -0.02418 0.04360 147 2S -0.08748 0.09289 -0.09798 0.01500 -0.05663 148 2PX 0.02978 0.00498 -0.05324 0.03589 0.09648 149 2PY -0.03155 0.08468 -0.08841 0.09530 -0.00236 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.27371 0.22140 -0.28441 0.75165 -1.09822 152 3PX 0.07943 0.19122 -0.48243 -0.00686 -0.00494 153 3PY -0.36926 0.59545 -0.60891 0.18313 0.03261 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.01474 -0.01049 0.00246 -0.00260 0.00579 156 4YY -0.00325 -0.00065 0.00810 0.00335 0.00123 157 4ZZ -0.00257 0.00301 -0.00348 -0.00195 -0.00115 158 4XY -0.00237 0.00287 -0.00867 0.00513 -0.01749 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.06894 0.05323 -0.01630 -0.00945 0.00575 162 2S 0.13582 -0.11846 0.05596 0.03247 0.00256 163 2PX -0.03799 0.03565 -0.01530 -0.06520 0.10077 164 2PY 0.05855 -0.06175 0.08296 0.01561 0.12235 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.99295 -0.48560 -0.21797 -0.12646 -0.37724 167 3PX -0.33298 0.34148 -0.16621 -0.46225 0.61485 168 3PY 0.46459 -0.59145 0.65459 0.16859 0.82342 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX -0.01293 0.01097 -0.00704 -0.00035 -0.02337 171 4YY 0.00059 0.00234 -0.00176 -0.00476 0.02081 172 4ZZ 0.00247 -0.00388 0.00375 0.00217 0.00173 173 4XY -0.00718 0.00863 -0.00096 -0.00305 0.01092 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.04367 -0.04023 -0.00013 0.04848 -0.05580 177 2S -0.09376 0.09289 -0.03560 -0.09250 0.05509 178 2PX 0.11605 -0.07583 -0.03601 0.13945 0.10524 179 2PY -0.05238 0.03803 0.01532 -0.00657 0.03655 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -0.34618 0.22140 0.51139 -0.61996 1.74950 182 3PX 0.62174 -0.61129 0.24673 0.74422 0.65949 183 3PY -0.42945 0.13213 0.14090 0.05000 0.15226 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.00085 -0.00096 0.00505 -0.00267 0.01547 186 4YY 0.01274 -0.01018 0.00084 0.01147 -0.02029 187 4ZZ -0.00297 0.00301 -0.00342 -0.00205 -0.00005 188 4XY 0.00822 -0.00349 -0.00390 -0.00601 -0.00317 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.03203 0.01701 -0.02612 -0.03560 0.01355 192 2S -0.01935 -0.05698 0.06404 0.06783 -0.05750 193 2PX -0.05152 0.02696 0.07396 -0.10674 0.13192 194 2PY 0.05863 0.02023 -0.00669 -0.02971 -0.00319 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -1.04958 0.17810 0.06911 0.34856 -0.10948 197 3PX -0.05426 0.17911 0.01435 -0.25776 0.64631 198 3PY -0.09385 0.28441 -0.19667 -0.41737 -0.72954 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00877 0.00396 -0.01098 -0.00895 -0.02983 201 4YY -0.00926 0.00248 -0.00008 0.00502 0.02102 202 4ZZ 0.00316 -0.00382 0.00331 0.00090 -0.00040 203 4XY 0.00322 -0.00083 0.00326 0.00423 -0.00448 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.00235 0.03378 -0.01387 -0.03564 0.01933 207 2S 0.48982 0.27500 -0.21740 -0.58135 -0.01101 208 20 H 1S 0.02323 -0.03561 0.02419 0.02799 0.06046 209 2S 0.85835 -0.78739 0.05229 1.09887 0.20513 210 21 H 1S -0.02756 0.02903 -0.02893 -0.01679 -0.00056 211 2S -0.98926 0.92483 -0.64085 -0.37182 -0.28409 212 22 H 1S 0.01863 -0.03561 0.03630 0.00711 -0.03735 213 2S 0.42085 -0.78738 0.97992 -0.49998 0.20224 214 23 H 1S -0.00069 0.03378 -0.03782 0.00564 -0.05289 215 2S 0.19704 0.27499 -0.61259 0.09979 -0.60994 216 24 C 1S 0.04066 -0.00439 -0.05083 0.02920 0.00611 217 2S -0.06651 0.03909 0.10789 -0.06198 -0.02158 218 2PX -0.00327 -0.02129 0.02191 0.03997 0.15724 219 2PY -0.03764 -0.03687 -0.01448 -0.02203 0.02012 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.70676 -0.24408 0.52509 -0.30167 -0.18428 222 3PX 0.12697 0.10722 0.22332 -0.04575 0.63459 223 3PY 0.10657 0.18571 0.30446 -0.22258 -0.44229 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.01274 -0.00438 -0.01564 -0.00671 0.00809 226 4YY -0.00648 0.00016 -0.00132 0.01646 -0.01039 227 4ZZ -0.00200 0.00348 0.00601 -0.00345 0.00068 228 4XY -0.00030 0.00454 -0.00376 -0.00831 -0.00596 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S -0.03238 0.01701 0.02627 -0.03549 0.01311 232 2S 0.02054 -0.05698 -0.06433 0.06756 -0.05667 233 2PX 0.05146 0.02696 -0.07350 -0.10705 0.13129 234 2PY 0.05919 -0.02023 -0.00682 0.02968 0.00273 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S 1.05045 0.17810 -0.07059 0.34827 -0.10518 237 3PX 0.05087 0.17911 -0.01325 -0.25782 0.63924 238 3PY -0.09507 -0.28441 -0.19844 0.41653 0.73252 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX -0.00859 0.00396 0.01102 -0.00891 -0.03005 241 4YY 0.00900 0.00248 0.00006 0.00502 0.02106 242 4ZZ -0.00308 -0.00382 -0.00331 0.00088 -0.00037 243 4XY 0.00310 0.00083 0.00328 -0.00422 0.00479 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S -0.04310 -0.04023 -0.00007 0.04848 -0.05545 247 2S 0.09248 0.09289 0.03600 -0.09235 0.05444 248 2PX -0.11759 -0.07583 0.03542 0.13960 0.10540 249 2PY -0.05190 -0.03803 0.01530 0.00664 -0.03504 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.34303 0.22140 -0.50875 -0.62213 1.74474 252 3PX -0.62300 -0.61129 -0.24989 0.74316 0.66652 253 3PY -0.42835 -0.13213 0.14111 -0.04940 -0.15445 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00084 -0.00096 -0.00504 -0.00269 0.01540 256 4YY -0.01256 -0.01018 -0.00089 0.01147 -0.02012 257 4ZZ 0.00293 0.00301 0.00343 -0.00204 -0.00008 258 4XY 0.00810 0.00349 -0.00393 0.00599 0.00335 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.06784 0.05323 0.01634 -0.00938 0.00595 262 2S -0.13365 -0.11846 -0.05610 0.03223 0.00265 263 2PX 0.03759 0.03565 0.01557 -0.06514 0.09838 264 2PY 0.05750 0.06175 0.08303 -0.01526 -0.12316 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.97712 -0.48560 0.21850 -0.12553 -0.39014 267 3PX 0.33085 0.34148 0.16817 -0.46154 0.59873 268 3PY 0.45536 0.59145 0.65531 -0.16579 -0.83018 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX 0.01288 0.01097 0.00704 -0.00032 -0.02324 271 4YY -0.00074 0.00234 0.00178 -0.00475 0.02058 272 4ZZ -0.00243 -0.00388 -0.00376 0.00216 0.00179 273 4XY -0.00696 -0.00863 -0.00097 0.00304 -0.01066 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.03894 -0.04023 -0.04192 -0.02436 0.04283 277 2S 0.08588 0.09289 0.09791 0.01542 -0.05603 278 2PX -0.03069 0.00498 0.05309 0.03612 0.09568 279 2PY -0.02794 -0.08469 -0.08801 -0.09567 0.00405 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.26698 0.22140 0.28120 0.75285 -1.07107 282 3PX -0.07877 0.19122 0.48245 -0.00480 -0.01548 283 3PY -0.35083 -0.59545 -0.60813 -0.18572 -0.02169 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.01448 -0.01049 -0.00245 -0.00261 0.00554 286 4YY 0.00318 -0.00065 -0.00812 0.00331 0.00144 287 4ZZ 0.00252 0.00301 0.00349 -0.00194 -0.00116 288 4XY -0.00232 -0.00287 -0.00865 -0.00517 0.01732 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.00464 0.01701 0.04389 -0.00482 -0.02629 292 2S -0.02781 -0.05698 -0.09077 0.02154 0.06521 293 2PX -0.00406 -0.03100 -0.05291 -0.06655 0.02745 294 2PY 0.02909 0.01324 0.03349 0.09716 -0.09151 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S 0.48504 0.17810 -0.33642 -0.11443 0.24637 297 3PX -0.07310 -0.33586 -0.50622 -0.10388 0.12058 298 3PY 0.11043 0.01291 -0.04278 0.10319 -0.66082 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.00310 0.00222 -0.00389 -0.00266 -0.01404 301 4YY -0.00035 0.00421 0.01283 -0.00495 0.01042 302 4ZZ -0.00424 -0.00382 -0.00243 0.00242 0.00147 303 4XY 0.01370 -0.00032 -0.00613 0.00087 -0.00061 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.00078 0.03378 0.03780 0.00581 -0.05306 307 2S -0.18434 0.27500 0.61216 0.10240 -0.61725 308 31 H 1S -0.01818 -0.03561 -0.03633 0.00695 -0.03641 309 2S -0.39985 -0.78739 -0.97779 -0.50415 0.20925 310 32 H 1S 0.02712 0.02903 0.02901 -0.01666 -0.00057 311 2S 0.97349 0.92483 0.64243 -0.36908 -0.29384 312 33 H 1S -0.02301 -0.03561 -0.02431 0.02789 0.06031 313 2S -0.85897 -0.78738 -0.05697 1.09863 0.21209 314 34 H 1S -0.00241 0.03378 0.01402 -0.03558 0.01835 315 2S -0.49157 0.27499 0.21988 -0.58042 -0.02499 91 92 93 94 95 (E')--V (E')--V (E')--V (A')--V (A')--V Eigenvalues -- 0.14836 0.15636 0.15636 0.15641 0.16960 1 1 C 1S -0.00000 0.00000 -0.00000 -0.04254 -0.00000 2 2S 0.00000 -0.00000 0.00000 0.13800 0.00000 3 2PX -0.00193 -0.17294 0.00378 -0.00000 0.00000 4 2PY 0.19789 -0.00378 -0.17294 -0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 -0.00000 0.00000 0.67154 0.00001 7 3PX 0.00357 -0.12243 0.00266 -0.00000 0.00000 8 3PY -0.36629 -0.00266 -0.12243 -0.00000 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00015 -0.02314 0.00051 -0.00591 -0.00000 11 4YY -0.00015 0.02314 -0.00051 -0.00591 -0.00000 12 4ZZ 0.00000 -0.00000 0.00000 0.01241 0.00000 13 4XY 0.01759 0.00058 0.02672 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00012 -0.02878 0.00063 -0.03628 -0.00000 17 2S -0.00041 0.06615 -0.00145 0.08912 0.00000 18 2PX -0.00184 0.14739 -0.00322 0.13766 0.00000 19 2PY 0.14645 0.00091 0.04187 -0.00000 0.20482 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S -0.00354 -0.07404 0.00162 0.98500 0.00001 22 3PX 0.00126 -0.02393 0.00051 0.60380 0.00001 23 3PY 0.89498 0.00906 0.41548 -0.00002 0.25833 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX -0.00020 -0.02717 0.00059 0.00685 0.00000 26 4YY 0.00015 0.00915 -0.00020 -0.00740 -0.00000 27 4ZZ 0.00001 0.00507 -0.00011 0.00282 0.00000 28 4XY -0.00727 -0.00055 -0.02526 0.00000 -0.01743 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.02300 0.04689 0.03034 -0.01320 0.06267 32 2S 0.07085 -0.06328 -0.06416 0.07520 -0.06757 33 2PX 0.07751 -0.08330 -0.01301 -0.02425 -0.06122 34 2PY 0.10518 0.02650 0.11374 0.14730 0.03530 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.20545 -1.07738 -0.48315 0.08185 -1.64779 37 3PX 0.84694 -0.51461 -0.24499 0.49733 -0.40730 38 3PY 0.36361 -0.28814 0.50197 0.53210 -0.16934 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX -0.00451 0.00976 0.01631 -0.01354 0.00603 41 4YY 0.00751 0.00193 -0.00703 0.02301 0.00539 42 4ZZ 0.00108 -0.00218 -0.00404 0.00270 -0.00107 43 4XY 0.02063 0.02074 -0.00692 0.01767 0.01148 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.05694 -0.00235 -0.01971 0.03056 -0.03642 47 2S -0.06416 0.01906 0.03798 -0.02258 0.04278 48 2PX -0.01754 -0.12617 -0.08140 0.04776 -0.03470 49 2PY 0.10984 0.07184 -0.10059 0.00745 -0.11655 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S -1.62846 0.01164 0.37680 -0.92599 0.86812 52 3PX 0.12956 -0.87423 -0.31769 0.19879 -0.75733 53 3PY 0.37222 0.84311 -0.46492 0.30250 -0.09238 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.01411 -0.02170 -0.00819 -0.00384 -0.01431 56 4YY -0.00729 0.02204 0.00331 0.00751 0.00856 57 4ZZ -0.00064 0.00126 0.00140 0.00002 -0.00036 58 4XY -0.01742 -0.01363 -0.00353 -0.01724 -0.01187 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00011 -0.05275 0.00115 -0.02640 -0.00000 62 2S 0.00005 0.05981 -0.00131 0.05361 0.00000 63 2PX 0.00110 -0.13988 0.00306 -0.17274 -0.00000 64 2PY 0.17045 -0.00023 -0.01055 -0.00000 0.03520 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.00745 1.84545 -0.04033 0.51905 0.00001 67 3PX 0.00803 -0.75915 0.01658 -0.74363 -0.00001 68 3PY 1.08414 -0.00563 -0.25623 0.00000 -0.14125 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX 0.00003 0.01606 -0.00035 -0.00764 -0.00000 71 4YY -0.00008 -0.01955 0.00043 0.00433 0.00000 72 4ZZ 0.00003 -0.00042 0.00001 0.00089 0.00000 73 4XY 0.03163 -0.00034 -0.01560 0.00000 -0.02826 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.05719 -0.00149 0.01979 0.03056 0.03642 77 2S 0.06413 0.01738 -0.03878 -0.02258 -0.04278 78 2PX 0.01613 -0.12249 0.08684 0.04775 0.03470 79 2PY 0.11037 -0.07618 -0.09735 -0.00744 -0.11655 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 1.64138 -0.00491 -0.37697 -0.92597 -0.86815 82 3PX -0.13291 -0.85950 0.35559 0.19877 0.75734 83 3PY 0.38479 -0.86265 -0.42765 -0.30248 -0.09240 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX -0.01398 -0.02132 0.00913 -0.00384 0.01431 86 4YY 0.00721 0.02187 -0.00427 0.00751 -0.00856 87 4ZZ 0.00062 0.00120 -0.00146 0.00002 0.00036 88 4XY -0.01759 0.01346 -0.00412 0.01724 -0.01187 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.02275 0.04552 -0.03236 -0.01320 -0.06267 92 2S -0.07069 -0.06042 0.06687 0.07520 0.06757 93 2PX -0.07756 -0.08264 0.01664 -0.02425 0.06121 94 2PY 0.10600 -0.02151 0.11479 -0.14730 0.03530 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.20279 -1.05524 0.52978 0.08179 1.64779 97 3PX -0.85544 -0.50337 0.26725 0.49732 0.40731 98 3PY 0.35888 0.30980 0.48891 -0.53211 -0.16936 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.00481 0.00904 -0.01672 -0.01354 -0.00603 101 4YY -0.00806 0.00223 0.00694 0.02301 -0.00539 102 4ZZ -0.00106 -0.00200 0.00413 0.00270 0.00107 103 4XY 0.02083 -0.02102 -0.00601 -0.01767 0.01148 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.04113 -0.04167 0.01852 0.00483 -0.00889 107 2S 0.33772 0.48289 0.49647 -0.33479 -0.91618 108 9 H 1S 0.05639 0.00869 -0.00661 -0.01688 0.01522 109 2S 0.00569 -0.26103 -0.47108 -0.03950 -0.19065 110 10 H 1S -0.00001 0.07169 -0.00157 -0.02338 -0.00000 111 2S -0.00563 0.31835 -0.00695 0.57904 0.00001 112 11 H 1S -0.05593 0.00897 0.00622 -0.01688 -0.01522 113 2S 0.00238 -0.24019 0.48203 -0.03951 0.19064 114 12 H 1S -0.04180 -0.04244 -0.01668 0.00483 0.00889 115 2S -0.35001 0.46073 -0.51709 -0.33481 0.91617 116 13 C 1S -0.01046 0.01385 -0.02524 -0.03628 -0.00000 117 2S 0.03696 -0.03182 0.05801 0.08912 0.00000 118 2PX -0.01991 0.06725 -0.04718 -0.06883 -0.17738 119 2PY 0.17847 -0.04305 0.12201 0.11921 -0.10241 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 0.31564 0.03562 -0.06494 0.98500 0.00001 122 3PX 0.43730 0.30978 0.18360 -0.30189 -0.22372 123 3PY 0.12245 0.19215 0.08178 0.52292 -0.12915 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.00313 0.01658 0.00918 -0.00384 -0.01307 126 4YY 0.00708 -0.00791 -0.02498 0.00329 0.01307 127 4ZZ -0.00116 -0.00244 0.00445 0.00282 0.00000 128 4XY -0.01735 -0.01981 0.00985 -0.00713 0.00871 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00005 0.00527 0.05560 -0.01320 -0.06267 132 2S 0.02747 -0.02770 -0.08576 0.07520 0.06757 133 2PX 0.05658 0.06332 0.10578 0.13969 -0.06118 134 2PY 0.07913 0.06764 -0.03118 0.05264 0.03536 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -0.02061 0.06882 -1.17876 0.08179 1.64779 137 3PX -0.42825 0.49071 0.26413 0.21216 -0.05699 138 3PY 0.67298 0.30668 -0.50517 0.69675 0.43742 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00267 0.00893 -0.00850 0.00062 0.00306 141 4YY 0.00967 -0.00610 0.02316 0.00885 -0.01447 142 4ZZ -0.00041 -0.00257 -0.00380 0.00270 0.00107 143 4XY 0.03157 -0.01640 -0.00126 0.02711 -0.00542 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.03886 -0.01639 -0.01118 0.03056 0.03642 147 2S -0.03017 0.02489 0.03444 -0.02258 -0.04278 148 2PX 0.04020 -0.09902 0.08973 -0.01743 0.08359 149 2PY 0.08653 -0.07329 -0.12082 0.04508 0.08833 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -1.38059 0.32892 0.18423 -0.92597 -0.86815 152 3PX 0.54212 -0.75518 0.92289 0.16257 -0.29865 153 3PY 0.55852 -0.29536 -0.53197 0.32338 0.70207 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.01254 -0.00711 0.02034 0.01760 -0.01175 156 4YY -0.01114 0.00262 -0.02229 -0.01394 0.01750 157 4ZZ 0.00075 0.00066 0.00176 0.00002 0.00036 158 4XY -0.00848 -0.00341 0.01520 -0.00295 -0.00550 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.01019 0.02538 -0.04626 -0.02640 -0.00000 162 2S -0.00454 -0.02877 0.05245 0.05361 0.00000 163 2PX 0.12178 -0.04166 0.05694 0.08637 -0.03048 164 2PY -0.04337 0.05365 -0.10877 -0.14960 -0.01760 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.66830 -0.88780 1.61837 0.51905 0.00001 167 3PX 0.82087 -0.37722 0.22614 0.37181 0.12233 168 3PY -0.35598 0.20392 -0.63816 -0.64400 0.07061 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX -0.00686 0.01538 -0.00371 0.00134 -0.02119 171 4YY 0.01140 -0.01370 0.00065 -0.00465 0.02119 172 4ZZ -0.00307 0.00020 -0.00037 0.00089 0.00000 173 4XY 0.01284 0.00172 -0.01936 0.00598 0.01413 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.01724 0.01824 0.00781 0.03056 -0.03642 177 2S 0.03289 -0.04242 -0.00249 -0.02258 0.04278 178 2PX -0.00957 -0.11112 -0.06316 -0.03033 0.11829 179 2PY 0.07691 0.09009 -0.11564 0.03763 0.02822 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.22669 -0.33214 -0.17831 -0.92599 0.86812 182 3PX -0.36800 -0.33972 -0.53452 -0.36136 0.45867 183 3PY -0.11591 0.62628 -0.99942 0.02091 -0.60968 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00322 0.00147 0.00187 -0.00826 -0.00606 186 4YY -0.00850 0.00258 0.00086 0.01193 0.00032 187 4ZZ 0.00137 -0.00184 0.00039 0.00002 -0.00036 188 4XY 0.00946 -0.02085 0.02108 0.01430 0.01737 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.02253 -0.04972 0.02544 -0.01320 0.06267 192 2S -0.04210 0.08721 -0.02272 0.07520 -0.06757 193 2PX 0.03119 0.07032 0.06219 -0.11544 0.00003 194 2PY -0.02354 0.10170 -0.03988 -0.09465 -0.07067 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.22128 0.95712 -0.69147 0.08185 -1.64779 197 3PX 0.35729 0.01697 0.59505 -0.70947 0.35030 198 3PY 0.16026 0.55190 -0.02961 0.16465 -0.26806 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.01172 -0.00419 0.02003 0.02712 0.01415 201 4YY -0.00246 -0.00969 -0.01454 -0.01765 -0.00274 202 4ZZ -0.00146 0.00459 0.00013 0.00270 -0.00107 203 4XY 0.01635 0.01425 -0.00827 0.00944 -0.00606 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.05011 0.03567 -0.02842 0.00483 0.00889 207 2S 0.71909 0.21744 0.65755 -0.33481 0.91617 208 20 H 1S 0.00713 -0.00988 0.00466 -0.01688 -0.01522 209 2S -0.36005 -0.29736 -0.44902 -0.03951 0.19064 210 21 H 1S 0.00098 -0.03449 0.06287 -0.02338 -0.00000 211 2S 0.50332 -0.15315 0.27918 0.57904 0.00001 212 22 H 1S -0.04808 0.00138 0.01083 -0.01688 0.01522 213 2S -0.36166 0.53849 0.00948 -0.03950 -0.19065 214 23 H 1S 0.00935 0.00480 -0.04535 0.00483 -0.00889 215 2S 0.38101 -0.67140 0.16996 -0.33479 -0.91618 216 24 C 1S 0.01035 0.01494 0.02461 -0.03628 -0.00000 217 2S -0.03655 -0.03433 -0.05657 0.08912 0.00000 218 2PX 0.01685 0.06925 0.04421 -0.06883 0.17738 219 2PY 0.17811 0.04834 0.12001 -0.11921 -0.10241 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.31211 0.03843 0.06331 0.98500 0.00001 222 3PX -0.44975 0.30149 -0.19694 -0.30192 0.22371 223 3PY 0.13110 -0.18839 0.09007 -0.52290 -0.12917 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.00297 0.01616 -0.00989 -0.00384 0.01307 226 4YY -0.00688 -0.00681 0.02530 0.00329 -0.01307 227 4ZZ 0.00115 -0.00263 -0.00434 0.00282 0.00000 228 4XY -0.01724 0.02022 0.00898 0.00713 0.00871 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S -0.02280 -0.05079 -0.02324 -0.01320 -0.06267 232 2S 0.04322 0.08812 0.01889 0.07520 0.06757 233 2PX -0.03376 0.06754 -0.06520 -0.11544 -0.00004 234 2PY -0.02361 -0.10335 -0.03540 0.09465 -0.07066 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S 0.22340 0.98642 0.64898 0.08179 1.64779 237 3PX -0.36983 -0.00903 -0.59520 -0.70948 -0.35032 238 3PY 0.14597 -0.55266 -0.00543 -0.16464 -0.26806 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX -0.01113 -0.00506 -0.01983 0.02712 -0.01415 241 4YY 0.00205 -0.00905 0.01495 -0.01765 0.00274 242 4ZZ 0.00147 0.00458 -0.00033 0.00270 0.00107 243 4XY 0.01626 -0.01460 -0.00764 -0.00944 -0.00606 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.01833 0.01788 -0.00861 0.03056 0.03642 247 2S -0.03396 -0.04227 0.00434 -0.02258 -0.04278 248 2PX 0.00751 -0.10825 0.06796 -0.03032 -0.11829 249 2PY 0.07761 -0.09506 -0.11159 -0.03763 0.02822 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.26079 -0.32401 0.19273 -0.92597 -0.86815 252 3PX 0.35506 -0.31605 0.54889 -0.36134 -0.45869 253 3PY -0.11294 -0.66935 -0.97110 -0.02090 -0.60968 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX -0.00352 0.00139 -0.00193 -0.00826 0.00606 256 4YY 0.00889 0.00254 -0.00097 0.01193 -0.00032 257 4ZZ -0.00137 -0.00186 -0.00031 0.00002 0.00036 258 4XY 0.00940 0.02175 0.02015 -0.01430 0.01737 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.01007 0.02737 0.04511 -0.02640 -0.00000 262 2S 0.00449 -0.03104 -0.05114 0.05361 0.00000 263 2PX -0.12373 -0.04410 -0.05506 0.08637 0.03048 264 2PY -0.04097 -0.05835 -0.10633 0.14960 -0.01760 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.66085 -0.95765 -1.57804 0.51905 0.00001 267 3PX -0.83273 -0.38670 -0.20940 0.37182 -0.12232 268 3PY -0.33986 -0.23161 -0.62867 0.64400 0.07064 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX 0.00731 0.01553 0.00303 0.00134 0.02119 271 4YY -0.01181 -0.01372 -0.00004 -0.00465 -0.02119 272 4ZZ 0.00304 0.00022 0.00036 0.00089 0.00000 273 4XY 0.01305 -0.00257 -0.01927 -0.00598 0.01413 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.03970 -0.01589 0.01189 0.03056 -0.03642 277 2S 0.03127 0.02336 -0.03549 -0.02258 0.04278 278 2PX -0.04207 -0.10285 -0.08531 -0.01743 -0.08359 279 2PY 0.08647 0.06793 -0.12391 -0.04508 0.08833 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 1.40177 0.32050 -0.19848 -0.92599 0.86812 282 3PX -0.54195 -0.79476 -0.88899 0.16257 0.29866 283 3PY 0.55907 0.27181 -0.54438 -0.32341 0.70206 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.01265 -0.00799 -0.02001 0.01760 0.01175 286 4YY 0.01111 0.00360 0.02215 -0.01394 -0.01750 287 4ZZ -0.00073 0.00058 -0.00179 0.00002 -0.00036 288 4XY -0.00882 0.00407 0.01503 0.00295 -0.00550 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00046 0.00283 -0.05578 -0.01320 0.06267 292 2S -0.02875 -0.02392 0.08689 0.07520 -0.06757 293 2PX -0.05713 0.05864 -0.10845 0.13969 0.06118 294 2PY 0.08093 -0.06894 -0.02819 -0.05264 0.03536 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S 0.01583 0.12027 1.17462 0.08185 -1.64779 297 3PX 0.42601 0.47868 -0.28533 0.21215 0.05699 298 3PY 0.68599 -0.32848 -0.49132 -0.69675 0.43740 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX -0.00239 0.00930 0.00811 0.00062 -0.00306 301 4YY -0.00987 -0.00710 -0.02287 0.00885 0.01448 302 4ZZ 0.00038 -0.00241 0.00391 0.00270 -0.00107 303 4XY 0.03159 0.01633 -0.00198 -0.02711 -0.00542 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.00831 0.00678 0.04509 0.00483 0.00889 307 2S -0.36908 -0.67818 -0.14046 -0.33481 0.91617 308 31 H 1S 0.04880 0.00090 -0.01088 -0.01688 -0.01522 309 2S 0.35767 0.53754 -0.03301 -0.03951 0.19064 310 32 H 1S -0.00097 -0.03720 -0.06130 -0.02338 -0.00000 311 2S -0.49769 -0.16520 -0.27222 0.57904 0.00001 312 33 H 1S -0.00831 -0.01007 -0.00422 -0.01688 0.01522 313 2S 0.35597 -0.27746 0.46160 -0.03950 -0.19065 314 34 H 1S -0.05048 0.03687 0.02683 0.00483 -0.00889 315 2S -0.71873 0.18851 -0.66643 -0.33479 -0.91618 96 97 98 99 100 (E')--V (E')--V (A')--V (A')--V (E')--V Eigenvalues -- 0.19333 0.19333 0.19496 0.20730 0.23476 1 1 C 1S -0.00000 -0.00000 -0.00000 -0.07361 -0.00000 2 2S -0.00000 0.00000 0.00000 0.07229 0.00000 3 2PX 0.00909 0.29873 -0.00000 -0.00000 -0.11300 4 2PY -0.29873 0.00909 -0.00000 0.00000 0.01682 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 0.00000 1.20074 0.00000 7 3PX 0.03601 1.18348 -0.00000 -0.00000 -1.02842 8 3PY -1.18348 0.03601 -0.00000 -0.00000 0.15306 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00017 0.00551 0.00000 -0.01972 0.00047 11 4YY -0.00017 -0.00551 0.00000 -0.01972 -0.00047 12 4ZZ -0.00000 0.00000 0.00000 0.01231 0.00000 13 4XY 0.00636 -0.00019 0.00000 0.00000 0.00008 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00036 0.01179 0.00000 0.04884 -0.07948 17 2S 0.00125 0.04103 -0.00000 -0.08628 0.05362 18 2PX 0.00449 0.14740 0.00000 0.16754 0.06096 19 2PY 0.21990 -0.00669 0.20269 -0.00000 -0.02660 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S -0.02153 -0.70750 -0.00000 -1.06420 2.58328 22 3PX 0.02089 0.68650 0.00000 0.14945 0.04624 23 3PY 1.09452 -0.03330 0.48860 0.00000 -0.12008 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX 0.00104 0.03407 -0.00000 -0.00086 0.00235 26 4YY -0.00099 -0.03258 0.00000 0.01291 -0.02355 27 4ZZ 0.00002 0.00056 0.00000 -0.00817 0.00822 28 4XY 0.00618 -0.00019 -0.01035 0.00000 -0.00063 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.04162 0.01957 0.01822 0.01513 -0.01042 32 2S -0.02693 -0.03832 -0.01291 -0.02162 -0.00059 33 2PX 0.03079 0.09539 0.10539 -0.14669 0.19803 34 2PY -0.04141 -0.03023 0.00789 -0.04772 0.11240 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -1.48537 -0.50567 -0.59862 -0.53801 0.82386 37 3PX 0.54806 0.23034 0.34133 -0.62528 1.12402 38 3PY -0.22292 -0.30427 -0.13695 -0.33952 0.77442 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX -0.00146 -0.02725 0.00373 0.00564 -0.00845 41 4YY 0.00639 0.03237 0.00280 0.00040 0.01277 42 4ZZ 0.00092 -0.00296 -0.00312 -0.00198 -0.00212 43 4XY 0.02165 -0.00293 0.02506 -0.00066 0.01093 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.01431 0.00667 0.03604 -0.00267 0.02876 47 2S -0.01288 -0.03376 -0.03741 -0.00126 0.00153 48 2PX -0.01676 0.12914 -0.06733 -0.07456 0.06381 49 2PY 0.05497 0.01060 0.10702 0.08990 -0.03246 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S -0.70437 -0.03286 -1.11780 0.08953 -1.12548 52 3PX -0.49188 0.22266 -0.38555 -0.78879 0.97038 53 3PY 0.60918 0.28774 0.60575 0.78038 -0.36290 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX -0.00115 0.00588 0.01066 -0.02231 0.01838 56 4YY 0.00137 -0.00127 -0.00423 0.01925 -0.01342 57 4ZZ -0.00085 -0.00385 -0.00211 0.00050 -0.00047 58 4XY -0.01846 0.00266 -0.01808 0.00144 -0.01533 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00033 0.01094 -0.00000 -0.04326 0.00435 62 2S -0.00100 -0.03301 -0.00000 0.02425 0.03638 63 2PX -0.00038 -0.01254 0.00000 -0.06214 -0.06374 64 2PY 0.16719 -0.00509 0.17065 -0.00000 -0.01195 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00199 0.06519 0.00000 1.70972 -0.85374 67 3PX -0.00859 -0.28215 -0.00000 -0.65435 -0.06358 68 3PY 1.02271 -0.03113 1.34105 -0.00000 0.05820 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.00020 -0.00657 0.00000 0.01815 -0.02540 71 4YY 0.00038 0.01258 -0.00000 -0.01987 0.02019 72 4ZZ -0.00011 -0.00346 0.00000 -0.00168 0.00322 73 4XY 0.00734 -0.00022 0.02622 0.00000 0.00440 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.01388 0.00753 -0.03604 -0.00267 0.02083 77 2S 0.01080 -0.03448 0.03741 -0.00126 0.01138 78 2PX 0.02458 0.12788 0.06733 -0.07456 0.06739 79 2PY 0.05422 -0.01393 0.10702 -0.08990 0.06891 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.70107 -0.07564 1.11780 0.08953 -0.94939 82 3PX 0.50450 0.19235 0.38555 -0.78880 0.81582 83 3PY 0.59055 -0.32425 0.60575 -0.78039 0.44945 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.00151 0.00580 -0.01066 -0.02231 0.01315 86 4YY -0.00145 -0.00119 0.00423 0.01925 -0.01005 87 4ZZ 0.00062 -0.00389 0.00211 0.00050 -0.00014 88 4XY -0.01859 -0.00154 -0.01808 -0.00144 0.02079 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.04035 0.02206 -0.01822 0.01513 -0.00178 92 2S 0.02455 -0.03988 0.01291 -0.02162 0.00754 93 2PX -0.02493 0.09709 -0.10539 -0.14669 0.15044 94 2PY -0.03949 0.03269 0.00789 0.04772 -0.14918 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 1.45188 -0.59504 0.59862 -0.53801 0.45981 97 3PX -0.53305 0.26324 -0.34133 -0.62528 1.11169 98 3PY -0.20401 0.31726 -0.13695 0.33954 -0.89390 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX -0.00020 -0.02729 -0.00373 0.00564 -0.00842 101 4YY -0.00441 0.03270 -0.00280 0.00040 0.01551 102 4ZZ -0.00109 -0.00290 0.00312 -0.00198 -0.00114 103 4XY 0.02179 0.00161 0.02506 0.00066 -0.01415 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.02936 0.08821 0.03387 -0.02741 0.01414 107 2S -0.99211 1.15493 -0.48965 0.05528 -0.60096 108 9 H 1S 0.06638 -0.01744 0.06524 0.04578 -0.06237 109 2S 0.19573 -0.39256 0.10981 -0.27402 0.26573 110 10 H 1S -0.00040 -0.01309 0.00000 0.08384 -0.10872 111 2S 0.00774 0.25427 -0.00000 0.17624 0.22376 112 11 H 1S -0.06732 -0.01337 -0.06524 0.04578 -0.05990 113 2S -0.21924 -0.37993 -0.10982 -0.27401 0.17163 114 12 H 1S -0.02394 0.08983 -0.03387 -0.02741 0.01728 115 2S 1.06049 1.09247 0.48965 0.05526 -0.61620 116 13 C 1S -0.01039 -0.00559 0.00000 0.04884 0.04998 117 2S -0.03615 -0.01943 -0.00000 -0.08628 -0.03372 118 2PX 0.15515 -0.13291 -0.17554 -0.08377 0.14169 119 2PY -0.06042 -0.15736 -0.10135 0.14509 0.03754 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 0.62348 0.33510 -0.00000 -1.06420 -1.62459 122 3PX 0.75145 -0.67273 -0.42314 -0.07473 0.56769 123 3PY -0.26471 -0.76386 -0.24430 0.12942 0.29418 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX 0.01183 0.01162 -0.00776 0.00946 0.00821 126 4YY -0.01314 -0.01233 0.00776 0.00258 0.00512 127 4ZZ -0.00050 -0.00027 0.00000 -0.00817 -0.00517 128 4XY 0.03083 0.01306 0.00518 0.00688 0.00983 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00107 -0.04598 -0.01822 0.01513 0.02681 132 2S 0.02226 0.04121 0.01291 -0.02162 0.01944 133 2PX 0.04322 0.07884 0.04586 0.03202 0.13156 134 2PY -0.05774 -0.03547 -0.09521 -0.15090 -0.19672 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -0.21062 1.55488 0.59862 -0.53801 -1.37185 137 3PX 0.13033 0.58701 0.28926 0.01860 0.18877 138 3PY 0.11976 -0.34612 -0.22713 -0.71128 -0.74063 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX -0.02287 0.00179 0.01576 0.00221 -0.00037 141 4YY 0.02048 -0.00848 -0.02229 0.00384 0.00413 142 4ZZ 0.00306 0.00050 0.00312 -0.00198 0.00362 143 4XY -0.01878 -0.02585 -0.01206 -0.00295 -0.00315 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00042 -0.01578 -0.03604 -0.00267 -0.03669 147 2S 0.02446 0.02660 0.03741 -0.00126 0.02214 148 2PX 0.07455 -0.02537 -0.12634 0.11514 -0.04049 149 2PY -0.09903 -0.06390 0.00480 -0.01962 -0.06001 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.28503 0.64497 1.11780 0.08953 1.12079 152 3PX 0.22194 -0.75368 -0.71737 1.07023 0.50822 153 3PY -0.35549 -0.04170 0.03102 -0.29292 -0.82978 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00784 -0.01239 -0.01305 0.00778 0.00868 156 4YY -0.01186 0.01014 0.00663 -0.01084 -0.01617 157 4ZZ 0.00306 0.00248 0.00211 0.00050 0.00107 158 4XY -0.00155 0.00813 0.01648 0.02150 0.01850 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.00964 -0.00518 -0.00000 -0.04326 -0.00273 162 2S 0.02909 0.01564 -0.00000 0.02425 -0.02288 163 2PX 0.06305 -0.13056 -0.14779 0.03107 0.03500 164 2PY 0.04917 -0.06852 -0.08533 -0.05382 0.06649 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.05745 -0.03087 0.00000 1.70972 0.53691 167 3PX 0.29518 -0.84733 -1.16138 0.32718 -0.28813 168 3PY 0.45753 -0.33490 -0.67053 -0.56668 -0.12018 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX -0.00948 0.00116 0.01967 -0.01036 0.01204 171 4YY 0.00418 -0.00401 -0.01967 0.00865 -0.00876 172 4ZZ 0.00305 0.00164 0.00000 -0.00168 -0.00203 173 4XY -0.00670 -0.00777 -0.01311 -0.01901 -0.02605 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.01293 0.00906 0.03604 -0.00267 0.00550 177 2S 0.03568 0.00573 -0.03741 -0.00126 -0.03026 178 2PX 0.08348 0.00291 -0.05901 -0.04057 -0.08617 179 2PY -0.07127 -0.08964 -0.11182 -0.10952 -0.10839 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.38064 -0.59358 -1.11780 0.08953 0.18407 182 3PX 0.45303 -0.06363 -0.33182 -0.28143 -0.34528 183 3PY 0.32288 -0.65717 -0.63677 -1.07330 -0.37324 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00438 -0.01260 -0.01407 0.00994 0.01923 186 4YY -0.00847 0.01049 0.02049 -0.01300 -0.01681 187 4ZZ 0.00376 0.00119 -0.00211 0.00050 -0.00069 188 4XY -0.00100 0.01154 0.00160 0.02006 -0.01574 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S -0.03776 0.02626 0.01822 0.01513 -0.01914 192 2S 0.04665 -0.00417 -0.01291 -0.02162 -0.02381 193 2PX 0.00840 0.02848 -0.05952 0.11468 0.14745 194 2PY -0.10831 -0.00784 0.08732 -0.10318 0.10476 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 1.18061 -1.03353 -0.59862 -0.53801 0.56458 197 3PX -0.08798 -0.14429 -0.05206 0.60668 1.06460 198 3PY -0.59755 0.33177 0.36407 -0.37175 -0.15924 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX -0.02355 0.01026 0.02183 0.00122 -0.02316 201 4YY 0.01665 -0.00856 -0.01529 0.00483 0.01222 202 4ZZ 0.00210 0.00227 -0.00312 -0.00198 -0.00157 203 4XY -0.02363 -0.02161 -0.01300 -0.00229 -0.00249 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.06583 -0.06565 -0.03387 -0.02741 -0.00155 207 2S -1.47635 0.37218 0.48965 0.05526 0.34221 208 20 H 1S 0.04524 -0.05161 -0.06524 0.04578 0.04501 209 2S 0.43865 0.00010 -0.10982 -0.27401 -0.38780 210 21 H 1S 0.01154 0.00620 0.00000 0.08384 0.06837 211 2S -0.22408 -0.12044 -0.00000 0.17624 -0.14072 212 22 H 1S -0.01809 0.06621 0.06524 0.04578 0.03188 213 2S 0.24210 0.36579 0.10981 -0.27402 0.11275 214 23 H 1S -0.09107 -0.01868 0.03387 -0.02741 -0.01822 215 2S -0.50414 -1.43666 -0.48965 0.05528 0.42324 216 24 C 1S 0.01003 -0.00621 0.00000 0.04884 0.02950 217 2S 0.03491 -0.02159 -0.00000 -0.08628 -0.01990 218 2PX -0.16294 -0.12324 0.17554 -0.08377 0.15687 219 2PY -0.05074 0.16074 -0.10135 -0.14509 -0.06445 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.60195 0.37240 -0.00000 -1.06420 -0.95869 222 3PX -0.79096 -0.62580 0.42314 -0.07472 0.66573 223 3PY -0.21778 0.77854 -0.24430 -0.12943 -0.36454 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX -0.01111 0.01232 0.00776 0.00946 0.00333 226 4YY 0.01237 -0.01310 -0.00776 0.00258 0.00453 227 4ZZ 0.00048 -0.00030 0.00000 -0.00817 -0.00305 228 4XY 0.02998 -0.01491 0.00518 -0.00688 -0.00681 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.03928 0.02391 -0.01822 0.01513 -0.02503 232 2S -0.04682 -0.00132 0.01291 -0.02162 -0.02698 233 2PX -0.00666 0.02894 0.05952 0.11468 0.09983 234 2PY -0.10764 0.01441 0.08732 0.10318 -0.15660 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -1.24126 -0.95984 0.59862 -0.53801 0.91205 237 3PX 0.07904 -0.14938 0.05206 0.60669 0.78296 238 3PY -0.61663 -0.29482 0.36407 0.37174 -0.01800 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.02413 0.00881 -0.02183 0.00122 -0.02078 241 4YY -0.01714 -0.00753 0.01529 0.00483 0.00993 242 4ZZ -0.00196 0.00240 0.00312 -0.00198 -0.00247 243 4XY -0.02228 0.02301 -0.01300 0.00229 0.00107 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.01346 0.00826 -0.03604 -0.00267 0.01586 247 2S -0.03526 0.00788 0.03741 -0.00126 -0.03352 248 2PX -0.08315 0.00798 0.05901 -0.04057 -0.09820 249 2PY -0.06568 0.09381 -0.11182 0.10952 0.09788 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.41604 -0.56933 1.11780 0.08953 -0.17140 252 3PX -0.45607 -0.03597 0.33182 -0.28144 -0.44583 253 3PY 0.36223 0.63632 -0.63677 1.07331 0.07622 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX -0.00514 -0.01231 0.01407 0.00994 0.01593 256 4YY 0.00910 0.00996 -0.02049 -0.01300 -0.01153 257 4ZZ -0.00368 0.00141 0.00211 0.00050 -0.00093 258 4XY -0.00170 -0.01146 0.00160 -0.02006 0.02047 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00930 -0.00576 -0.00000 -0.04326 -0.00161 262 2S -0.02809 0.01738 -0.00000 0.02425 -0.01350 263 2PX -0.07087 -0.12649 0.14779 0.03107 0.05356 264 2PY 0.05324 0.06540 -0.08533 0.05382 -0.05824 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.05546 -0.03432 0.00000 1.70972 0.31683 267 3PX -0.34616 -0.82782 1.16138 0.32717 -0.33034 268 3PY 0.47705 0.30645 -0.67052 0.56668 0.16347 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX 0.00953 0.00058 -0.01967 -0.01036 0.01761 271 4YY -0.00442 -0.00375 0.01967 0.00865 -0.01568 272 4ZZ -0.00294 0.00182 0.00000 -0.00168 -0.00120 273 4XY -0.00622 0.00817 -0.01311 0.01901 0.02238 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.00138 -0.01573 0.03604 -0.00267 -0.03426 277 2S -0.02280 0.02803 -0.03741 -0.00126 0.02873 278 2PX -0.07596 -0.02079 0.12634 0.11514 -0.07694 279 2PY -0.09496 0.06980 0.00480 0.01962 0.05946 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.32373 0.62643 -1.11780 0.08953 0.94142 282 3PX -0.26736 -0.73880 0.71737 1.07022 0.30359 283 3PY -0.35229 0.06322 0.03102 0.29292 0.77133 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.00858 -0.01189 0.01305 0.00778 0.01358 286 4YY 0.01245 0.00940 -0.00663 -0.01084 -0.02096 287 4ZZ -0.00291 0.00266 -0.00211 0.00050 0.00116 288 4XY -0.00204 -0.00802 0.01648 -0.02150 -0.01342 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.00386 -0.04583 0.01822 0.01513 0.02956 292 2S -0.01972 0.04248 -0.01291 -0.02162 0.02440 293 2PX -0.03835 0.08132 -0.04586 0.03202 0.16613 294 2PY -0.05547 0.03891 -0.09521 0.15090 0.15238 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S 0.30476 1.53921 -0.59862 -0.53801 -1.38844 297 3PX -0.09440 0.59385 -0.28926 0.01860 0.28573 298 3PY 0.14058 0.33819 -0.22712 0.71127 0.35904 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.02293 0.00040 -0.01576 0.00221 -0.00078 301 4YY -0.02096 -0.00722 0.02229 0.00384 0.00739 302 4ZZ -0.00302 0.00069 -0.00312 -0.00198 0.00368 303 4XY -0.01717 0.02694 -0.01206 0.00295 -0.00286 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.08977 -0.02418 -0.03387 -0.02741 -0.01573 307 2S 0.41586 -1.46465 0.48965 0.05526 0.27398 308 31 H 1S 0.02208 0.06498 -0.06524 0.04578 0.01489 309 2S -0.21941 0.37983 -0.10982 -0.27401 0.21617 310 32 H 1S -0.01114 0.00689 0.00000 0.08384 0.04035 311 2S 0.21634 -0.13384 -0.00000 0.17624 -0.08304 312 33 H 1S -0.04829 -0.04877 0.06524 0.04578 0.03049 313 2S -0.43784 0.02677 0.10981 -0.27402 -0.37848 314 34 H 1S 0.06172 -0.06953 0.03387 -0.02741 0.00407 315 2S 1.49625 0.28173 -0.48965 0.05528 0.17772 101 102 103 104 105 (E')--V (A')--V (E')--V (E')--V (A")--V Eigenvalues -- 0.23476 0.28423 0.30225 0.30225 0.35353 1 1 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 3 2PX 0.01682 -0.00000 0.48794 -0.00220 0.00000 4 2PY 0.11300 -0.00000 0.00220 0.48794 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.48886 6 3S -0.00000 -0.00000 0.00000 -0.00000 0.00000 7 3PX 0.15306 -0.00000 -0.38606 0.00175 0.00000 8 3PY 1.02842 0.00000 -0.00175 -0.38606 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 -0.45919 10 4XX -0.00007 0.00000 0.00518 -0.00002 0.00000 11 4YY 0.00007 0.00000 -0.00518 0.00002 0.00000 12 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 13 4XY 0.00055 -0.00000 -0.00003 -0.00598 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.01183 0.00000 0.06384 -0.00029 0.00000 17 2S -0.00798 -0.00000 -0.01310 0.00006 0.00000 18 2PX -0.00907 -0.00000 0.02716 -0.00012 0.00000 19 2PY -0.17872 -0.16907 0.00012 0.02626 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.28839 21 3S -0.38446 -0.00001 -0.74567 0.00335 0.00000 22 3PX -0.00688 -0.00000 -0.43716 0.00198 0.00000 23 3PY -0.80687 -0.79563 0.00143 0.31607 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 -0.08863 25 4XX -0.00035 0.00000 0.04979 -0.00022 0.00000 26 4YY 0.00350 0.00000 0.02391 -0.00011 0.00000 27 4ZZ -0.00122 -0.00000 -0.02370 0.00011 0.00000 28 4XY -0.00426 0.03028 0.00011 0.02464 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00738 30 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 31 3 C 1S -0.02812 -0.01080 -0.04644 -0.01403 0.00000 32 2S -0.02784 0.01914 0.14350 0.09422 0.00000 33 2PX 0.13396 -0.00746 -0.17390 -0.12609 0.00000 34 2PY -0.14304 -0.22526 -0.00522 -0.04519 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.29518 36 3S 1.12757 -0.49570 0.98748 -0.21048 0.00000 37 3PX -0.12494 -0.15665 0.11307 0.65140 0.00000 38 3PY -0.52555 -1.20929 -0.18167 -0.08162 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26644 40 4XX 0.00118 -0.03755 0.00084 -0.02855 0.00000 41 4YY -0.01130 0.00912 0.00660 0.02360 0.00000 42 4ZZ -0.00303 0.01284 0.00510 0.01275 0.00000 43 4XY -0.01268 -0.00121 -0.00178 0.00160 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00487 45 4YZ 0.00000 0.00000 0.00000 0.00000 -0.01262 46 4 C 1S 0.02296 0.00696 0.03189 -0.00613 0.00000 47 2S -0.03406 -0.06993 -0.01841 -0.01480 0.00000 48 2PX -0.02180 0.16040 0.00172 0.20394 0.00000 49 2PY 0.13001 -0.00202 0.10232 -0.10476 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.08954 51 3S -0.43726 0.24502 -1.13354 0.26037 0.00000 52 3PX 0.38636 -0.23758 -0.06433 0.36753 0.00000 53 3PY 0.35125 0.62279 0.83042 -0.11433 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 -0.01663 55 4XX 0.01524 0.00445 -0.01743 -0.01095 0.00000 56 4YY -0.00958 -0.00032 0.01840 0.00874 0.00000 57 4ZZ -0.00107 -0.00522 -0.00161 -0.00104 0.00000 58 4XY 0.02104 0.00534 -0.00156 -0.00171 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 -0.01040 60 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00228 61 5 C 1S -0.00065 0.00000 -0.05481 0.00025 0.00000 62 2S -0.00541 -0.00000 0.06831 -0.00031 0.00000 63 2PX 0.00949 0.00000 -0.10894 0.00049 0.00000 64 2PY -0.08028 0.03004 0.00010 0.02238 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.10524 66 3S 0.12706 0.00000 1.70625 -0.00769 0.00000 67 3PX 0.00946 0.00000 -1.08872 0.00491 0.00000 68 3PY 0.39112 0.23028 -0.00415 -0.92084 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.08403 70 4XX 0.00378 0.00000 0.00712 -0.00003 0.00000 71 4YY -0.00300 -0.00000 -0.01349 0.00006 0.00000 72 4ZZ -0.00048 -0.00000 0.00437 -0.00002 0.00000 73 4XY 0.02959 -0.00604 -0.00013 -0.02855 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00126 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.03034 -0.00696 0.03195 0.00584 0.00000 77 2S 0.03214 0.06993 -0.01827 0.01497 0.00000 78 2PX 0.00227 -0.16040 -0.00012 -0.20395 0.00000 79 2PY 0.11492 -0.00202 -0.10326 -0.10384 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.08954 81 3S 0.74604 -0.24501 -1.13585 -0.25014 0.00000 82 3PX -0.65219 0.23758 -0.06764 -0.36694 0.00000 83 3PY 0.23035 0.62279 -0.83142 -0.10683 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.01663 85 4XX -0.01993 -0.00445 -0.01733 0.01111 0.00000 86 4YY 0.01307 0.00032 0.01832 -0.00890 0.00000 87 4ZZ 0.00116 0.00522 -0.00160 0.00106 0.00000 88 4XY 0.01567 0.00534 0.00155 -0.00172 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 -0.01040 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00228 91 7 C 1S 0.02993 0.01080 -0.04631 0.01445 0.00000 92 2S 0.02680 -0.01914 0.14265 -0.09550 0.00000 93 2PX -0.18582 0.00746 -0.17275 0.12765 0.00000 94 2PY -0.10412 -0.22526 0.00481 -0.04523 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.29518 96 3S -1.31861 0.49570 0.98933 0.20156 0.00000 97 3PX -0.20779 0.15664 0.10720 -0.65240 0.00000 98 3PY -0.27726 -1.20929 0.18094 -0.08326 0.00000 99 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26644 100 4XX 0.00134 0.03755 0.00110 0.02854 0.00000 101 4YY 0.00710 -0.00913 0.00638 -0.02366 0.00000 102 4ZZ 0.00352 -0.01284 0.00499 -0.01279 0.00000 103 4XY -0.00895 -0.00121 0.00179 0.00158 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00487 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.01262 106 8 H 1S -0.01287 -0.01667 -0.03367 -0.04153 0.00000 107 2S 0.14175 -1.96731 -0.74024 -0.55738 0.00000 108 9 H 1S 0.00080 -0.00354 0.07626 -0.02410 0.00000 109 2S 0.28361 0.48264 -0.24516 0.12933 0.00000 110 10 H 1S 0.01618 0.00000 0.02630 -0.00012 0.00000 111 2S -0.03330 -0.00000 0.42222 -0.00190 0.00000 112 11 H 1S 0.01739 0.00354 0.07648 0.02342 0.00000 113 2S -0.34870 -0.48265 -0.24631 -0.12711 0.00000 114 12 H 1S 0.00819 0.01667 -0.03329 0.04183 0.00000 115 2S 0.03939 1.96732 -0.73519 0.56401 0.00000 116 13 C 1S 0.06292 0.00000 -0.03167 0.05543 0.00000 117 2S -0.04244 -0.00000 0.00650 -0.01138 0.00000 118 2PX -0.07321 0.14642 0.02648 -0.00051 0.00000 119 2PY -0.09799 0.08453 -0.00027 0.02693 0.00000 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.28839 121 3S -2.04496 -0.00001 0.36993 -0.64744 0.00000 122 3PX -0.42114 0.68904 0.12924 0.32558 0.00000 123 3PY -0.28541 0.39781 0.32503 -0.25032 0.00000 124 3PZ 0.00000 0.00000 0.00000 0.00000 -0.08863 125 4XX 0.01552 0.02271 -0.03112 0.01721 0.00000 126 4YY 0.00126 -0.02271 -0.00544 0.04678 0.00000 127 4ZZ -0.00650 -0.00000 0.01176 -0.02058 0.00000 128 4XY 0.00891 -0.01514 0.01712 -0.00512 0.00000 129 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00369 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00639 131 14 C 1S -0.01343 0.01080 0.01064 -0.04734 0.00000 132 2S -0.01993 -0.01914 0.01139 0.17129 0.00000 133 2PX -0.13828 0.19135 -0.01976 0.08352 0.00000 134 2PY -0.12299 0.11909 -0.03931 -0.19823 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.29518 136 3S 0.26110 0.49570 -0.66922 0.75601 0.00000 137 3PX -0.36105 0.96895 -0.23979 -0.38127 0.00000 138 3PY -1.20018 0.74030 0.45206 0.26373 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26644 140 4XX 0.00146 0.00164 0.00495 0.01026 0.00000 141 4YY -0.01182 0.02679 -0.01293 -0.00622 0.00000 142 4ZZ -0.00077 -0.01284 0.00859 0.01072 0.00000 143 4XY -0.02017 -0.02273 0.02241 0.01496 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 -0.01336 145 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00209 146 15 C 1S -0.00287 -0.00696 -0.02104 0.02475 0.00000 147 2S -0.02592 0.06993 -0.00383 -0.02331 0.00000 148 2PX 0.13119 0.08194 -0.21094 -0.01845 0.00000 149 2PY 0.00704 -0.13790 0.08224 0.10698 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.08954 151 3S 0.44917 -0.24501 0.78455 -0.85860 0.00000 152 3PX 0.62705 -0.65814 -0.61594 0.51486 0.00000 153 3PY -0.07725 -0.10565 0.05038 0.44147 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 -0.01663 155 4XX -0.01811 0.00314 -0.00079 0.01175 0.00000 156 4YY 0.01886 -0.00727 -0.00162 -0.01199 0.00000 157 4ZZ -0.00046 0.00522 -0.00012 -0.00192 0.00000 158 4XY 0.01472 -0.00028 -0.00061 0.01934 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00322 160 4YZ 0.00000 0.00000 0.00000 0.00000 -0.01015 161 16 C 1S -0.00344 0.00000 0.02719 -0.04759 0.00000 162 2S -0.02880 -0.00000 -0.03389 0.05931 0.00000 163 2PX -0.06895 -0.02601 -0.01019 0.05691 0.00000 164 2PY 0.01845 -0.01502 0.05652 -0.07636 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.10524 166 3S 0.67583 0.00000 -0.84646 1.48150 0.00000 167 3PX 0.18785 -0.19942 -0.96249 0.07703 0.00000 168 3PY 0.16657 -0.11514 0.06797 -1.04708 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 -0.08403 170 4XX -0.02092 -0.00453 0.02272 0.00338 0.00000 171 4YY 0.02504 0.00453 -0.01957 -0.00891 0.00000 172 4ZZ -0.00255 -0.00000 -0.00217 0.00380 0.00000 173 4XY -0.00874 0.00302 -0.00728 -0.01603 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00063 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00109 176 17 C 1S -0.03639 0.00696 -0.01064 0.03069 0.00000 177 2S 0.01570 -0.06993 0.02202 -0.00854 0.00000 178 2PX 0.05413 -0.07845 0.05447 -0.07186 0.00000 179 2PY -0.01997 0.13991 -0.17348 -0.15752 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.08954 181 3S 1.19333 0.24502 0.34128 -1.11186 0.00000 182 3PX 0.39670 -0.42056 0.41690 -0.55258 0.00000 183 3PY -0.96441 -0.51715 -0.08969 -0.59556 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 -0.01663 185 4XX 0.00849 0.00488 -0.00633 0.00590 0.00000 186 4YY -0.01562 -0.00075 0.00776 -0.00395 0.00000 187 4ZZ 0.00094 -0.00522 0.00171 -0.00087 0.00000 188 4XY 0.01860 -0.00506 -0.01861 0.01084 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00718 190 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00787 191 18 C 1S 0.02308 -0.01080 0.03538 -0.03320 0.00000 192 2S 0.01443 0.01914 -0.15335 0.07717 0.00000 193 2PX 0.14160 0.19881 -0.13422 0.02813 0.00000 194 2PY -0.19362 0.10617 0.14899 -0.08486 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.29518 196 3S -1.27727 -0.49570 -0.31146 0.96042 0.00000 197 3PX 0.80873 1.12560 0.17045 0.21480 0.00000 198 3PY -0.58496 0.46899 -0.61827 -0.13899 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26644 200 4XX -0.00472 -0.00345 -0.01209 -0.00257 0.00000 201 4YY 0.00604 -0.02498 0.01267 0.01149 0.00000 202 4ZZ 0.00335 0.01284 -0.01359 -0.00196 0.00000 203 4XY -0.00451 0.02394 -0.02377 -0.00938 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00849 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.01053 206 19 H 1S -0.01906 0.01667 -0.01958 -0.04975 0.00000 207 2S 0.51395 1.96732 -0.12086 -0.91870 0.00000 208 20 H 1S 0.04318 0.00354 -0.05852 0.05452 0.00000 209 2S 0.02571 -0.48265 0.23324 -0.14976 0.00000 210 21 H 1S 0.08607 0.00000 -0.01305 0.02284 0.00000 211 2S -0.17713 -0.00000 -0.20946 0.36661 0.00000 212 22 H 1S 0.05361 -0.00354 -0.01726 0.07810 0.00000 213 2S -0.37194 0.48264 0.01058 -0.27698 0.00000 214 23 H 1S -0.00582 -0.01667 0.05280 -0.00839 0.00000 215 2S 0.44957 -1.96731 0.85282 -0.36237 0.00000 216 24 C 1S -0.07475 0.00000 -0.03217 -0.05514 0.00000 217 2S 0.05042 -0.00000 0.00660 0.01132 0.00000 218 2PX 0.02878 -0.14642 0.02649 0.00027 0.00000 219 2PY -0.08281 0.08454 0.00051 0.02693 0.00000 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.28839 221 3S 2.42942 -0.00001 0.37574 0.64409 0.00000 222 3PX 0.23758 -0.68904 0.12629 -0.32673 0.00000 223 3PY -0.18738 0.39782 -0.32728 -0.24738 0.00000 224 3PZ 0.00000 0.00000 0.00000 0.00000 -0.08863 225 4XX -0.01724 -0.02271 -0.03127 -0.01693 0.00000 226 4YY -0.00269 0.02271 -0.00587 -0.04673 0.00000 227 4ZZ 0.00773 -0.00000 0.01194 0.02047 0.00000 228 4XY 0.01139 -0.01514 -0.01716 -0.00497 0.00000 229 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00369 230 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00639 231 25 C 1S -0.01651 0.01080 0.03567 0.03288 0.00000 232 2S -0.00687 -0.01914 -0.15403 -0.07578 0.00000 233 2PX -0.17840 -0.19881 -0.13447 -0.02692 0.00000 234 2PY -0.15473 0.10617 -0.14975 -0.08352 0.00000 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.29518 236 3S 1.05751 0.49570 -0.32011 -0.95757 0.00000 237 3PX -1.08369 -1.12559 0.16850 -0.21633 0.00000 238 3PY -0.60598 0.46899 0.61700 -0.14456 0.00000 239 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26644 240 4XX 0.01126 0.00345 -0.01207 0.00268 0.00000 241 4YY -0.00933 0.02498 0.01256 -0.01160 0.00000 242 4ZZ -0.00275 -0.01284 -0.01357 0.00208 0.00000 243 4XY -0.00503 0.02394 0.02369 -0.00959 0.00000 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00849 245 4YZ 0.00000 0.00000 0.00000 0.00000 -0.01053 246 26 C 1S 0.03321 -0.00696 -0.01091 -0.03059 0.00000 247 2S -0.00621 0.06993 0.02210 0.00834 0.00000 248 2PX -0.02670 0.07845 0.05512 0.07137 0.00000 249 2PY -0.05067 0.13992 0.17206 -0.15908 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.08954 251 3S -1.19521 -0.24501 0.35130 1.10874 0.00000 252 3PX -0.27896 0.42056 0.42187 0.54880 0.00000 253 3PY -1.03130 -0.51714 0.08432 -0.59635 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 -0.01663 255 4XX -0.01372 -0.00488 -0.00638 -0.00584 0.00000 256 4YY 0.01983 0.00075 0.00779 0.00388 0.00000 257 4ZZ -0.00070 0.00522 0.00172 0.00086 0.00000 258 4XY 0.01321 -0.00506 0.01871 0.01067 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00718 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00787 261 27 C 1S 0.00409 0.00000 0.02762 0.04735 0.00000 262 2S 0.03421 -0.00000 -0.03442 -0.05900 0.00000 263 2PX 0.05577 0.02601 -0.01071 -0.05682 0.00000 264 2PY 0.03701 -0.01502 -0.05721 -0.07585 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.10524 266 3S -0.80289 0.00000 -0.85978 -1.47381 0.00000 267 3PX -0.09581 0.19942 -0.96314 -0.06835 0.00000 268 3PY 0.12436 -0.11514 -0.07741 -1.04642 0.00000 269 3PZ 0.00000 0.00000 0.00000 0.00000 -0.08403 270 4XX 0.01650 0.00453 0.02269 -0.00359 0.00000 271 4YY -0.02141 -0.00453 -0.01949 0.00909 0.00000 272 4ZZ 0.00303 -0.00000 -0.00220 -0.00378 0.00000 273 4XY -0.01595 0.00302 0.00714 -0.01609 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00063 275 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00109 276 28 C 1S 0.01343 0.00696 -0.02126 -0.02456 0.00000 277 2S 0.01835 -0.06993 -0.00362 0.02334 0.00000 278 2PX -0.11372 -0.08194 -0.21076 0.02035 0.00000 279 2PY -0.01074 -0.13790 -0.08127 0.10771 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.08954 281 3S -0.75607 0.24502 0.79226 0.85149 0.00000 282 3PX -0.74787 0.65814 -0.62055 -0.50928 0.00000 283 3PY -0.31553 -0.10564 -0.04639 0.44190 0.00000 284 3PZ 0.00000 0.00000 0.00000 0.00000 -0.01663 285 4XX 0.01479 -0.00314 -0.00089 -0.01174 0.00000 286 4YY -0.01333 0.00727 -0.00151 0.01201 0.00000 287 4ZZ 0.00012 -0.00522 -0.00010 0.00192 0.00000 288 4XY 0.01947 -0.00028 0.00078 0.01933 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00322 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.01015 291 29 C 1S 0.00504 -0.01080 0.01107 0.04724 0.00000 292 2S 0.01341 0.01914 0.00984 -0.17139 0.00000 293 2PX 0.09398 -0.19135 -0.02051 -0.08334 0.00000 294 2PY -0.17495 0.11909 0.03753 -0.19858 0.00000 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.29518 296 3S 0.14970 -0.49570 -0.67602 -0.74994 0.00000 297 3PX 0.29044 -0.96895 -0.23634 0.38341 0.00000 298 3PY -1.36384 0.74031 -0.44966 0.26780 0.00000 299 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26644 300 4XX -0.00129 -0.00164 0.00486 -0.01030 0.00000 301 4YY 0.01010 -0.02679 -0.01287 0.00634 0.00000 302 4ZZ -0.00032 0.01284 0.00849 -0.01079 0.00000 303 4XY -0.02021 -0.02273 -0.02228 0.01516 0.00000 304 4XZ 0.00000 0.00000 0.00000 0.00000 -0.01336 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00209 306 30 H 1S 0.01087 0.01667 0.05287 0.00791 0.00000 307 2S -0.55334 1.96732 0.85605 0.35469 0.00000 308 31 H 1S -0.06057 0.00354 -0.01796 -0.07794 0.00000 309 2S 0.32299 -0.48265 0.01307 0.27687 0.00000 310 32 H 1S -0.10225 0.00000 -0.01325 -0.02272 0.00000 311 2S 0.21043 -0.00000 -0.21276 -0.36470 0.00000 312 33 H 1S -0.05442 -0.00354 -0.05901 -0.05399 0.00000 313 2S 0.08833 0.48264 0.23458 0.14765 0.00000 314 34 H 1S 0.01868 -0.01667 -0.01913 0.04992 0.00000 315 2S -0.59132 -1.96731 -0.11259 0.91975 0.00000 106 107 108 109 110 (E')--V (E')--V (A')--V (E")--V (E")--V Eigenvalues -- 0.35618 0.35618 0.38679 0.38840 0.38840 1 1 C 1S -0.00000 -0.00000 -0.06210 -0.00000 0.00000 2 2S -0.00000 -0.00000 -0.45819 -0.00000 0.00000 3 2PX 0.00141 0.05263 -0.00000 -0.00000 0.00000 4 2PY -0.05263 0.00141 0.00000 -0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 6 3S 0.00000 0.00000 2.59387 -0.00000 0.00000 7 3PX 0.04708 1.75261 -0.00000 -0.00000 0.00000 8 3PY -1.75261 0.04708 -0.00000 -0.00000 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 10 4XX -0.00074 -0.02749 -0.08805 -0.00000 0.00000 11 4YY 0.00074 0.02749 -0.08805 -0.00000 0.00000 12 4ZZ -0.00000 0.00000 0.03231 -0.00000 0.00000 13 4XY -0.03174 0.00085 -0.00000 -0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00320 15 4YZ 0.00000 0.00000 0.00000 0.00320 0.00000 16 2 C 1S -0.00070 -0.02591 -0.03711 -0.00000 0.00000 17 2S 0.00297 0.11039 -0.14921 -0.00000 0.00000 18 2PX 0.00971 0.36155 0.41983 -0.00000 0.00000 19 2PY 0.09286 -0.00249 -0.00000 -0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00038 -0.29450 21 3S 0.01877 0.69884 1.15135 -0.00000 0.00000 22 3PX 0.05218 1.94224 1.28043 -0.00000 0.00000 23 3PY 0.65517 -0.01760 0.00000 -0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 -0.00027 0.20876 25 4XX -0.00036 -0.01329 -0.04101 -0.00000 0.00000 26 4YY 0.00023 0.00863 -0.03930 -0.00000 0.00000 27 4ZZ 0.00012 0.00447 0.01613 -0.00000 0.00000 28 4XY 0.02384 -0.00064 0.00000 -0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00002 -0.01311 30 4YZ 0.00000 0.00000 0.00000 -0.00517 -0.00001 31 3 C 1S 0.00280 0.00132 0.04222 -0.00000 0.00000 32 2S 0.07317 0.13829 -0.07229 -0.00000 0.00000 33 2PX -0.17785 0.15422 0.13950 -0.00000 0.00000 34 2PY 0.08091 0.08501 0.08782 -0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 -0.23724 -0.35130 36 3S -0.55501 -0.13196 -1.14890 -0.00000 0.00000 37 3PX -0.03242 -0.15859 -0.49525 -0.00000 0.00000 38 3PY 0.60611 1.52412 0.95017 -0.00000 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.26663 0.26234 40 4XX 0.00219 0.02381 0.00567 -0.00000 0.00000 41 4YY 0.00390 0.00680 0.00786 -0.00000 0.00000 42 4ZZ 0.00463 -0.01088 -0.01566 -0.00000 0.00000 43 4XY 0.01434 0.03285 0.01325 -0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 -0.00996 -0.00632 45 4YZ 0.00000 0.00000 0.00000 0.01038 0.00552 46 4 C 1S -0.00217 0.01523 -0.02432 -0.00000 0.00000 47 2S 0.02495 0.09937 0.06367 -0.00000 0.00000 48 2PX -0.01147 -0.14905 -0.10935 -0.00000 0.00000 49 2PY -0.01735 0.04522 -0.01984 -0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 -0.01755 -0.30436 51 3S -0.11592 -0.07089 1.16739 -0.00000 0.00000 52 3PX -0.67096 0.10960 -0.26376 -0.00000 0.00000 53 3PY 0.04317 -0.57344 -0.95477 -0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 -0.02715 0.21066 55 4XX -0.01221 0.02867 0.01790 -0.00000 0.00000 56 4YY 0.01439 0.01345 0.00296 -0.00000 0.00000 57 4ZZ -0.00008 -0.00917 -0.00196 -0.00000 0.00000 58 4XY -0.02639 -0.03724 -0.01943 -0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.01376 0.00817 60 4YZ 0.00000 0.00000 0.00000 0.00380 0.00911 61 5 C 1S -0.00089 -0.03322 0.01844 -0.00000 0.00000 62 2S 0.00584 0.21730 0.06669 -0.00000 0.00000 63 2PX -0.00549 -0.20424 -0.03067 -0.00000 0.00000 64 2PY 0.21193 -0.00569 0.00000 -0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00040 -0.30671 66 3S -0.01865 -0.69426 -1.49730 -0.00000 0.00000 67 3PX 0.00574 0.21381 1.01168 -0.00000 0.00000 68 3PY 0.30714 -0.00825 0.00001 -0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 -0.00030 0.22666 70 4XX -0.00077 -0.02855 -0.01036 -0.00000 0.00000 71 4YY -0.00007 -0.00258 -0.00461 -0.00000 0.00000 72 4ZZ 0.00057 0.02138 0.00709 -0.00000 0.00000 73 4XY -0.01037 0.00028 0.00000 -0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 -0.00002 0.01249 75 4YZ 0.00000 0.00000 0.00000 0.00084 0.00000 76 6 C 1S 0.00299 0.01509 -0.02432 -0.00000 0.00000 77 2S -0.01958 0.10057 0.06367 -0.00000 0.00000 78 2PX 0.00345 -0.14945 -0.10935 -0.00000 0.00000 79 2PY -0.01975 -0.04422 0.01984 -0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.01834 -0.30432 81 3S 0.11195 -0.07701 1.16738 -0.00000 0.00000 82 3PX 0.67588 0.07343 -0.26375 -0.00000 0.00000 83 3PY 0.07390 0.57030 0.95477 -0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.02660 0.21073 85 4XX 0.01373 0.02798 0.01790 -0.00000 0.00000 86 4YY -0.01365 0.01420 0.00296 -0.00000 0.00000 87 4ZZ -0.00041 -0.00916 -0.00196 -0.00000 0.00000 88 4XY -0.02435 0.03860 0.01943 -0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 -0.01378 0.00813 90 4YZ 0.00000 0.00000 0.00000 0.00382 -0.00910 91 7 C 1S -0.00273 0.00147 0.04222 -0.00000 0.00000 92 2S -0.06564 0.14201 -0.07229 -0.00000 0.00000 93 2PX 0.18587 0.14444 0.13950 -0.00000 0.00000 94 2PY 0.07623 -0.08924 -0.08782 -0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.23815 -0.35069 96 3S 0.54712 -0.16157 -1.14889 -0.00000 0.00000 97 3PX 0.02386 -0.16010 -0.49525 -0.00000 0.00000 98 3PY 0.52341 -1.55447 -0.95017 -0.00000 0.00000 99 3PZ 0.00000 0.00000 0.00000 -0.26731 0.26165 100 4XX -0.00091 0.02389 0.00567 -0.00000 0.00000 101 4YY -0.00353 0.00700 0.00786 -0.00000 0.00000 102 4ZZ -0.00521 -0.01062 -0.01566 -0.00000 0.00000 103 4XY 0.01256 -0.03357 -0.01325 -0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00998 -0.00629 105 4YZ 0.00000 0.00000 0.00000 0.01040 -0.00549 106 8 H 1S 0.05756 -0.04846 0.02587 -0.00000 0.00000 107 2S 0.84080 -1.83769 -0.42870 -0.00000 0.00000 108 9 H 1S 0.01190 -0.02702 -0.05098 -0.00000 0.00000 109 2S -0.23817 0.44658 0.46463 -0.00000 0.00000 110 10 H 1S -0.00341 -0.12688 -0.03038 -0.00000 0.00000 111 2S 0.00362 0.13472 -0.32615 -0.00000 0.00000 112 11 H 1S -0.01333 -0.02634 -0.05098 -0.00000 0.00000 113 2S 0.26180 0.43315 0.46463 -0.00000 0.00000 114 12 H 1S -0.06007 -0.04530 0.02587 -0.00000 0.00000 115 2S -0.93825 -1.78989 -0.42869 -0.00000 0.00000 116 13 C 1S 0.02278 0.01235 -0.03711 -0.00000 0.00000 117 2S -0.09708 -0.05263 -0.14921 -0.00000 0.00000 118 2PX 0.19732 0.01546 -0.20991 -0.00000 0.00000 119 2PY -0.25324 -0.19010 0.36359 -0.00000 0.00000 120 2PZ 0.00000 0.00000 0.00000 -0.25523 0.14692 121 3S -0.61460 -0.33316 1.15135 -0.00000 0.00000 122 3PX 1.12456 -0.03604 -0.64022 -0.00000 0.00000 123 3PY -1.32310 -1.08998 1.10888 -0.00000 0.00000 124 3PZ 0.00000 0.00000 0.00000 0.18093 -0.10415 125 4XX -0.01129 0.01422 -0.03973 -0.00000 0.00000 126 4YY 0.01539 -0.01200 -0.04058 -0.00000 0.00000 127 4ZZ -0.00393 -0.00213 0.01613 -0.00000 0.00000 128 4XY -0.00396 -0.01571 0.00085 -0.00000 0.00000 129 4XZ 0.00000 0.00000 0.00000 0.00345 -0.00715 130 4YZ 0.00000 0.00000 0.00000 -0.01113 0.00343 131 14 C 1S 0.00009 -0.00310 0.04222 -0.00000 0.00000 132 2S -0.09017 -0.12785 -0.07229 -0.00000 0.00000 133 2PX 0.07510 -0.14018 0.00631 -0.00000 0.00000 134 2PY -0.20840 0.02154 0.16473 -0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 -0.42278 -0.03091 136 3S -0.13364 0.55460 -1.14889 -0.00000 0.00000 137 3PX -1.00257 -1.11601 1.07050 -0.00000 0.00000 138 3PY -0.43251 -0.52804 0.04619 -0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.36025 0.10067 140 4XX 0.00881 0.01264 -0.00263 -0.00000 0.00000 141 4YY -0.03335 -0.03193 0.01616 -0.00000 0.00000 142 4ZZ 0.01180 0.00080 -0.01566 -0.00000 0.00000 143 4XY -0.00343 -0.01074 0.00772 -0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.01384 0.00817 145 4YZ 0.00000 0.00000 0.00000 -0.00406 -0.00163 146 15 C 1S -0.01457 -0.00496 -0.02432 -0.00000 0.00000 147 2S -0.07730 -0.06724 0.06367 -0.00000 0.00000 148 2PX -0.10557 -0.04319 0.03749 -0.00000 0.00000 149 2PY 0.08651 0.06480 -0.10462 -0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 -0.27272 0.13627 151 3S 0.01072 0.13546 1.16738 -0.00000 0.00000 152 3PX 0.66049 -0.08278 -0.69498 -0.00000 0.00000 153 3PY -0.08231 0.58569 -0.70580 -0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.16920 -0.12840 155 4XX -0.02782 -0.04501 0.02127 -0.00000 0.00000 156 4YY -0.00875 0.02399 -0.00041 -0.00000 0.00000 157 4ZZ 0.00814 0.00423 -0.00196 -0.00000 0.00000 158 4XY 0.02344 0.01179 -0.01719 -0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00151 -0.00501 160 4YZ 0.00000 0.00000 0.00000 0.01696 0.00620 161 16 C 1S 0.02922 0.01584 0.01844 -0.00000 0.00000 162 2S -0.19111 -0.10360 0.06669 -0.00000 0.00000 163 2PX -0.00231 -0.21010 0.01534 -0.00000 0.00000 164 2PY 0.20607 -0.00887 -0.02656 -0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 -0.26582 0.15301 166 3S 0.61057 0.33098 -1.49730 -0.00000 0.00000 167 3PX 0.22083 -0.18296 -0.50585 -0.00000 0.00000 168 3PY -0.08963 -0.22333 0.87614 -0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.19644 -0.11307 170 4XX 0.01169 -0.00251 -0.00605 -0.00000 0.00000 171 4YY 0.01569 0.01736 -0.00892 -0.00000 0.00000 172 4ZZ -0.01880 -0.01019 0.00709 -0.00000 0.00000 173 4XY -0.01389 -0.00163 0.00288 -0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 -0.00505 0.00374 175 4YZ 0.00000 0.00000 0.00000 0.00958 -0.00503 176 17 C 1S -0.01211 -0.00950 -0.02432 -0.00000 0.00000 177 2S -0.09853 -0.02807 0.06367 -0.00000 0.00000 178 2PX -0.04101 0.00029 0.07186 -0.00000 0.00000 179 2PY 0.13200 0.07476 -0.08478 -0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 -0.25481 0.16738 181 3S 0.11935 -0.06495 1.16739 -0.00000 0.00000 182 3PX -0.53167 0.03725 0.95873 -0.00000 0.00000 183 3PY -0.02918 -0.71273 0.24896 -0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.19601 -0.08182 185 4XX 0.01527 -0.00510 -0.00788 -0.00000 0.00000 186 4YY -0.05284 -0.01407 0.02874 -0.00000 0.00000 187 4ZZ 0.00798 0.00451 -0.00196 -0.00000 0.00000 188 4XY -0.02278 0.01744 0.00224 -0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 -0.00528 0.01479 190 4YZ 0.00000 0.00000 0.00000 -0.00283 -0.00993 191 18 C 1S -0.00255 0.00177 0.04222 -0.00000 0.00000 192 2S -0.15634 -0.00578 -0.07229 -0.00000 0.00000 193 2PX 0.12111 0.09170 -0.14581 -0.00000 0.00000 194 2PY 0.01839 -0.21395 0.07690 -0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 -0.18562 0.38111 196 3S 0.39179 -0.41467 -1.14890 -0.00000 0.00000 197 3PX 1.32877 0.17977 -0.57524 -0.00000 0.00000 198 3PY 0.94448 0.16294 -0.90399 -0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.09388 -0.36208 200 4XX -0.03803 -0.00553 0.01725 -0.00000 0.00000 201 4YY 0.00847 -0.00451 -0.00372 -0.00000 0.00000 202 4ZZ 0.00711 0.00945 -0.01566 -0.00000 0.00000 203 4XY 0.02475 0.00700 -0.00553 -0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00060 0.00428 205 4YZ 0.00000 0.00000 0.00000 -0.00022 0.01608 206 19 H 1S 0.06927 -0.02938 0.02587 -0.00000 0.00000 207 2S 2.01922 0.08240 -0.42869 -0.00000 0.00000 208 20 H 1S 0.02948 0.00163 -0.05098 -0.00000 0.00000 209 2S -0.50602 0.01016 0.46463 -0.00000 0.00000 210 21 H 1S 0.11159 0.06049 -0.03038 -0.00000 0.00000 211 2S -0.11848 -0.06422 -0.32615 -0.00000 0.00000 212 22 H 1S 0.01745 0.02381 -0.05098 -0.00000 0.00000 213 2S -0.26766 -0.42955 0.46463 -0.00000 0.00000 214 23 H 1S 0.01319 0.07407 0.02587 -0.00000 0.00000 215 2S 1.17109 1.64700 -0.42870 -0.00000 0.00000 216 24 C 1S -0.02209 0.01356 -0.03711 -0.00000 0.00000 217 2S 0.09412 -0.05776 -0.14921 -0.00000 0.00000 218 2PX -0.19621 0.02603 -0.20992 -0.00000 0.00000 219 2PY -0.24267 0.20342 -0.36358 -0.00000 0.00000 220 2PZ 0.00000 0.00000 0.00000 0.25485 0.14758 221 3S 0.59582 -0.36568 1.15135 -0.00000 0.00000 222 3PX -1.12487 0.02440 -0.64021 -0.00000 0.00000 223 3PY -1.26267 1.15945 -1.10889 -0.00000 0.00000 224 3PZ 0.00000 0.00000 0.00000 -0.18066 -0.10462 225 4XX 0.01204 0.01359 -0.03973 -0.00000 0.00000 226 4YY -0.01601 -0.01115 -0.04058 -0.00000 0.00000 227 4ZZ 0.00381 -0.00234 0.01613 -0.00000 0.00000 228 4XY -0.00311 0.01590 -0.00085 -0.00000 0.00000 229 4XZ 0.00000 0.00000 0.00000 -0.00343 -0.00716 230 4YZ 0.00000 0.00000 0.00000 -0.01112 -0.00345 231 25 C 1S 0.00264 0.00163 0.04222 -0.00000 0.00000 232 2S 0.15581 -0.01416 -0.07229 -0.00000 0.00000 233 2PX -0.11601 0.09807 -0.14581 -0.00000 0.00000 234 2PY 0.02985 0.21265 -0.07690 -0.00000 0.00000 235 2PZ 0.00000 0.00000 0.00000 0.18462 0.38159 236 3S -0.41348 -0.39303 -1.14889 -0.00000 0.00000 237 3PX -1.31720 0.25086 -0.57525 -0.00000 0.00000 238 3PY 0.93436 -0.21341 0.90398 -0.00000 0.00000 239 3PZ 0.00000 0.00000 0.00000 -0.09294 -0.36233 240 4XX 0.03767 -0.00756 0.01725 -0.00000 0.00000 241 4YY -0.00870 -0.00405 -0.00372 -0.00000 0.00000 242 4ZZ -0.00659 0.00982 -0.01566 -0.00000 0.00000 243 4XY 0.02433 -0.00832 0.00553 -0.00000 0.00000 244 4XZ 0.00000 0.00000 0.00000 -0.00061 0.00428 245 4YZ 0.00000 0.00000 0.00000 -0.00018 -0.01608 246 26 C 1S 0.01158 -0.01013 -0.02432 -0.00000 0.00000 247 2S 0.09688 -0.03332 0.06367 -0.00000 0.00000 248 2PX 0.04096 -0.00191 0.07186 -0.00000 0.00000 249 2PY 0.12779 -0.08174 0.08478 -0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.25437 0.16804 251 3S -0.12267 -0.05845 1.16738 -0.00000 0.00000 252 3PX 0.53290 0.00865 0.95873 -0.00000 0.00000 253 3PY 0.00912 0.71328 -0.24897 -0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 -0.19580 -0.08233 255 4XX -0.01552 -0.00427 -0.00788 -0.00000 0.00000 256 4YY 0.05201 -0.01689 0.02874 -0.00000 0.00000 257 4ZZ -0.00773 0.00493 -0.00196 -0.00000 0.00000 258 4XY -0.02368 -0.01619 -0.00224 -0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00524 0.01480 260 4YZ 0.00000 0.00000 0.00000 -0.00285 0.00993 261 27 C 1S -0.02832 0.01738 0.01844 -0.00000 0.00000 262 2S 0.18527 -0.11371 0.06669 -0.00000 0.00000 263 2PX -0.00897 -0.20992 0.01534 -0.00000 0.00000 264 2PY 0.20625 -0.00221 0.02656 -0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.26542 0.15370 266 3S -0.59192 0.36328 -1.49730 -0.00000 0.00000 267 3PX -0.23033 -0.17085 -0.50584 -0.00000 0.00000 268 3PY -0.07752 0.22783 -0.87615 -0.00000 0.00000 269 3PZ 0.00000 0.00000 0.00000 -0.19615 -0.11359 270 4XX -0.01181 -0.00188 -0.00605 -0.00000 0.00000 271 4YY -0.01474 0.01817 -0.00892 -0.00000 0.00000 272 4ZZ 0.01823 -0.01119 0.00709 -0.00000 0.00000 273 4XY -0.01378 0.00238 -0.00288 -0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00504 0.00376 275 4YZ 0.00000 0.00000 0.00000 0.00957 0.00506 276 28 C 1S 0.01428 -0.00574 -0.02432 -0.00000 0.00000 277 2S 0.07358 -0.07129 0.06367 -0.00000 0.00000 278 2PX 0.10310 -0.04879 0.03749 -0.00000 0.00000 279 2PY 0.08291 -0.06935 0.10462 -0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.27236 0.13698 281 3S -0.00343 0.13583 1.16739 -0.00000 0.00000 282 3PX -0.66397 -0.04721 -0.69497 -0.00000 0.00000 283 3PY -0.11363 -0.58043 0.70581 -0.00000 0.00000 284 3PZ 0.00000 0.00000 0.00000 -0.16887 -0.12884 285 4XX 0.02537 -0.04644 0.02127 -0.00000 0.00000 286 4YY 0.01002 0.02348 -0.00041 -0.00000 0.00000 287 4ZZ -0.00790 0.00466 -0.00196 -0.00000 0.00000 288 4XY 0.02277 -0.01303 0.01719 -0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 -0.00150 -0.00501 290 4YZ 0.00000 0.00000 0.00000 0.01697 -0.00615 291 29 C 1S -0.00026 -0.00309 0.04222 -0.00000 0.00000 292 2S 0.08317 -0.13251 -0.07229 -0.00000 0.00000 293 2PX -0.08251 -0.13595 0.00630 -0.00000 0.00000 294 2PY -0.20926 -0.01032 -0.16473 -0.00000 0.00000 295 2PZ 0.00000 0.00000 0.00000 0.42286 -0.02981 296 3S 0.16322 0.54663 -1.14890 -0.00000 0.00000 297 3PX 0.94121 -1.16823 1.07050 -0.00000 0.00000 298 3PY -0.40353 0.55050 -0.04618 -0.00000 0.00000 299 3PZ 0.00000 0.00000 0.00000 -0.36051 0.09974 300 4XX -0.00812 0.01310 -0.00263 -0.00000 0.00000 301 4YY 0.03159 -0.03368 0.01616 -0.00000 0.00000 302 4ZZ -0.01174 0.00143 -0.01566 -0.00000 0.00000 303 4XY -0.00285 0.01091 -0.00772 -0.00000 0.00000 304 4XZ 0.00000 0.00000 0.00000 -0.01386 0.00813 305 4YZ 0.00000 0.00000 0.00000 -0.00407 0.00162 306 30 H 1S -0.00919 0.07468 0.02587 -0.00000 0.00000 307 2S -1.08097 1.70750 -0.42869 -0.00000 0.00000 308 31 H 1S -0.01615 0.02471 -0.05098 -0.00000 0.00000 309 2S 0.24421 -0.44330 0.46463 -0.00000 0.00000 310 32 H 1S -0.10818 0.06639 -0.03038 -0.00000 0.00000 311 2S 0.11486 -0.07049 -0.32615 -0.00000 0.00000 312 33 H 1S -0.02935 0.00321 -0.05098 -0.00000 0.00000 313 2S 0.50583 -0.01703 0.46463 -0.00000 0.00000 314 34 H 1S -0.07075 -0.02562 0.02587 -0.00000 0.00000 315 2S -2.01188 0.19069 -0.42870 -0.00000 0.00000 111 112 113 114 115 (E')--V (E')--V (A')--V (A')--V (A")--V Eigenvalues -- 0.40676 0.40676 0.40782 0.42255 0.42357 1 1 C 1S -0.00000 0.00000 0.01333 -0.00000 0.00000 2 2S 0.00000 -0.00000 -0.39981 -0.00001 0.00000 3 2PX 0.00211 -0.00853 0.00000 0.00000 0.00000 4 2PY -0.00853 -0.00211 -0.00000 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 -0.45552 6 3S 0.00000 -0.00000 -0.61576 0.00001 0.00000 7 3PX 0.28462 -1.15278 0.00000 0.00000 0.00000 8 3PY -1.15278 -0.28462 0.00000 0.00000 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.51203 10 4XX 0.00344 -0.01392 -0.06023 -0.00000 0.00000 11 4YY -0.00344 0.01392 -0.06023 -0.00000 0.00000 12 4ZZ -0.00000 0.00000 0.01557 0.00000 0.00000 13 4XY 0.01608 0.00397 -0.00000 -0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00089 -0.00359 0.00274 -0.00000 0.00000 17 2S -0.03087 0.12507 -0.40965 -0.00001 0.00000 18 2PX -0.00155 0.00628 -0.02172 0.00000 0.00000 19 2PY 0.37879 0.09352 -0.00001 0.23176 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 -0.13311 21 3S -0.11114 0.45016 0.04695 0.00001 0.00000 22 3PX 0.14307 -0.57943 -0.60394 0.00000 0.00000 23 3PY 1.70567 0.42111 -0.00001 1.19380 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.02755 25 4XX -0.00166 0.00672 -0.05309 -0.00000 0.00000 26 4YY -0.01104 0.04474 -0.05629 -0.00000 0.00000 27 4ZZ 0.00196 -0.00794 0.01310 0.00000 0.00000 28 4XY -0.01011 -0.00249 0.00000 -0.01214 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00276 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00389 0.02301 -0.02868 0.02286 0.00000 32 2S 0.07108 0.12197 -0.22917 -0.06024 0.00000 33 2PX 0.13459 -0.13905 0.13214 0.15648 0.00000 34 2PY 0.16055 0.00101 0.02478 -0.01821 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.03323 36 3S 0.54877 -0.88143 1.15829 0.13877 0.00000 37 3PX 1.75726 0.14518 0.37771 1.41622 0.00000 38 3PY 0.98656 0.08376 -0.36920 0.34218 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.03296 40 4XX 0.01458 0.02623 -0.03776 0.01419 0.00000 41 4YY 0.03028 0.00464 -0.02827 0.01706 0.00000 42 4ZZ -0.01277 -0.00262 0.01653 -0.01663 0.00000 43 4XY 0.01076 0.00907 0.00030 -0.00603 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00631 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.01350 46 4 C 1S 0.00746 -0.05062 0.03760 -0.00976 0.00000 47 2S 0.04205 0.12486 -0.17756 0.01724 0.00000 48 2PX 0.06037 -0.02050 0.10327 0.03234 0.00000 49 2PY -0.02953 -0.17101 0.06941 -0.05561 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.28601 51 3S -0.53684 1.12339 -1.04504 -0.23568 0.00000 52 3PX 1.85067 0.08189 0.38399 1.53407 0.00000 53 3PY -0.82711 -0.82771 0.71996 -0.56593 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26364 55 4XX 0.00353 -0.00353 -0.00378 -0.00504 0.00000 56 4YY 0.00111 -0.01462 -0.01356 -0.01855 0.00000 57 4ZZ -0.00069 0.01534 -0.00219 0.00910 0.00000 58 4XY 0.00737 0.00107 -0.00115 0.02757 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00332 60 4YZ 0.00000 0.00000 0.00000 0.00000 -0.01454 61 5 C 1S -0.01435 0.05813 -0.03582 -0.00000 0.00000 62 2S 0.01218 -0.04934 -0.06907 -0.00000 0.00000 63 2PX -0.02492 0.10093 -0.04197 -0.00000 0.00000 64 2PY -0.20306 -0.05013 0.00000 -0.34137 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.33682 66 3S 0.29304 -1.18701 1.21578 0.00001 0.00000 67 3PX -0.26141 1.05888 -0.94308 -0.00001 0.00000 68 3PY -1.77377 -0.43792 0.00002 -1.10658 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26862 70 4XX -0.00426 0.01726 -0.02580 -0.00000 0.00000 71 4YY -0.00509 0.02060 -0.00313 -0.00000 0.00000 72 4ZZ 0.00445 -0.01804 0.01046 0.00000 0.00000 73 4XY -0.00926 -0.00229 0.00000 -0.00763 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 -0.02310 75 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 76 6 C 1S 0.01695 -0.04828 0.03760 0.00976 0.00000 77 2S -0.09532 0.09095 -0.17756 -0.01724 0.00000 78 2PX -0.04389 -0.04624 0.10327 -0.03234 0.00000 79 2PY -0.10573 0.13761 -0.06941 -0.05561 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.28601 81 3S -0.04765 1.24417 -1.04505 0.23567 0.00000 82 3PX -1.67615 -0.78884 0.38403 -1.53407 0.00000 83 3PY -1.11727 0.34767 -0.71994 -0.56593 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26364 85 4XX -0.00148 -0.00476 -0.00378 0.00504 0.00000 86 4YY 0.00582 -0.01346 -0.01356 0.01855 0.00000 87 4ZZ -0.00653 0.01390 -0.00219 -0.00910 0.00000 88 4XY 0.00702 0.00248 0.00115 0.02757 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00332 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.01454 91 7 C 1S -0.01415 0.01855 -0.02867 -0.02286 0.00000 92 2S -0.11968 0.07488 -0.22917 0.06023 0.00000 93 2PX -0.05441 -0.18572 0.13214 -0.15648 0.00000 94 2PY 0.14257 0.07383 -0.02478 -0.01821 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.03323 96 3S -0.07553 -1.03556 1.15831 -0.13876 0.00000 97 3PX -1.62292 -0.68935 0.37774 -1.41622 0.00000 98 3PY 0.91217 0.38502 0.36919 0.34217 0.00000 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.03296 100 4XX -0.02512 0.01643 -0.03776 -0.01419 0.00000 101 4YY -0.02896 -0.00999 -0.02827 -0.01706 0.00000 102 4ZZ 0.01252 0.00363 0.01653 0.01663 0.00000 103 4XY 0.01374 -0.00302 -0.00030 -0.00603 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00631 105 4YZ 0.00000 0.00000 0.00000 0.00000 -0.01350 106 8 H 1S -0.10880 -0.02214 -0.12748 -0.12021 0.00000 107 2S 0.23947 0.78242 0.12320 -0.54155 0.00000 108 9 H 1S 0.01495 -0.08755 -0.01138 0.03429 0.00000 109 2S -0.16373 0.25872 -0.35369 0.15748 0.00000 110 10 H 1S -0.02102 0.08515 -0.10450 -0.00000 0.00000 111 2S 0.12726 -0.51548 0.44050 0.00000 0.00000 112 11 H 1S 0.02751 -0.08445 -0.01138 -0.03429 0.00000 113 2S 0.02452 0.30519 -0.35369 -0.15748 0.00000 114 12 H 1S 0.10660 0.03103 -0.12748 0.12021 0.00000 115 2S -0.57610 0.58107 0.12319 0.54154 0.00000 116 13 C 1S -0.00355 0.00103 0.00274 -0.00000 0.00000 117 2S 0.12375 -0.03580 -0.40965 -0.00001 0.00000 118 2PX 0.09077 0.32549 0.01087 -0.20071 0.00000 119 2PY 0.05959 0.18584 -0.01881 -0.11588 0.00000 120 2PZ 0.00000 0.00000 0.00000 0.00000 -0.13311 121 3S 0.44542 -0.12883 0.04695 0.00001 0.00000 122 3PX 0.70941 1.37869 0.30198 -1.03387 0.00000 123 3PY -0.25245 0.98746 -0.52302 -0.59690 0.00000 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.02755 125 4XX 0.03703 -0.00258 -0.05549 -0.00910 0.00000 126 4YY 0.01388 -0.01214 -0.05389 0.00910 0.00000 127 4ZZ -0.00786 0.00227 0.01310 0.00000 0.00000 128 4XY 0.01736 -0.01044 -0.00160 0.00607 0.00000 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00138 130 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00239 131 14 C 1S 0.02314 0.00298 -0.02867 -0.02286 0.00000 132 2S 0.12468 0.06620 -0.22917 0.06023 0.00000 133 2PX 0.07318 0.06891 -0.04461 0.09401 0.00000 134 2PY -0.11205 0.20142 0.12683 -0.12641 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.03323 136 3S -0.85906 0.58319 1.15831 -0.13876 0.00000 137 3PX -0.00101 -0.02424 -0.50860 0.41178 0.00000 138 3PY 0.24705 2.00692 0.14254 -1.39757 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.03296 140 4XX 0.00396 0.01815 -0.03086 -0.02087 0.00000 141 4YY 0.02866 0.02546 -0.03516 -0.01038 0.00000 142 4ZZ -0.00312 -0.01266 0.01653 0.01663 0.00000 143 4XY -0.00574 0.01347 0.00489 0.00158 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00853 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.01222 146 15 C 1S -0.05029 0.00946 0.03760 0.00976 0.00000 147 2S 0.12642 0.03708 -0.17756 -0.01724 0.00000 148 2PX -0.13994 -0.05027 0.00848 0.06433 0.00000 149 2PY -0.10170 0.04156 0.12414 -0.00020 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.28601 151 3S 1.10130 -0.58082 -1.04505 0.23567 0.00000 152 3PX -0.82200 -1.61041 0.43147 1.25715 0.00000 153 3PY -0.29570 1.20181 0.69255 -1.04558 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26364 155 4XX -0.01279 -0.00331 -0.01026 0.03585 0.00000 156 4YY -0.00516 0.00866 -0.00708 -0.01226 0.00000 157 4ZZ 0.01531 -0.00130 -0.00219 -0.00910 0.00000 158 4XY -0.00491 0.00267 -0.00547 -0.00703 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 -0.01425 160 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00439 161 16 C 1S 0.05752 -0.01664 -0.03582 -0.00000 0.00000 162 2S -0.04882 0.01412 -0.06907 -0.00000 0.00000 163 2PX -0.10026 -0.15956 0.02098 0.29563 0.00000 164 2PY 0.05743 -0.12548 -0.03635 0.17068 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.33682 166 3S -1.17450 0.33973 1.21578 0.00001 0.00000 167 3PX -0.96349 -1.36843 0.47153 0.95833 0.00000 168 3PY 0.65354 -1.14000 -0.81674 0.55329 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26862 170 4XX 0.02155 0.00121 -0.00879 -0.00572 0.00000 171 4YY 0.01592 -0.01205 -0.02013 0.00572 0.00000 172 4ZZ -0.01785 0.00516 0.01046 0.00000 0.00000 173 4XY 0.00033 -0.00506 0.01134 0.00381 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.01155 175 4YZ 0.00000 0.00000 0.00000 0.00000 -0.02001 176 17 C 1S -0.04757 0.01885 0.03760 -0.00976 0.00000 177 2S 0.08711 -0.09884 -0.17756 0.01724 0.00000 178 2PX 0.13943 -0.07519 -0.11175 0.03198 0.00000 179 2PY 0.02515 -0.09194 0.05473 0.05581 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.28601 181 3S 1.24130 -0.09678 -1.04504 -0.23568 0.00000 182 3PX 0.68984 -0.15690 -0.81550 -0.27693 0.00000 183 3PY -0.58831 -1.98854 -0.02743 1.61151 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26364 185 4XX -0.01319 -0.00075 -0.01198 0.00551 0.00000 186 4YY -0.00485 0.00581 -0.00536 -0.02909 0.00000 187 4ZZ 0.01363 -0.00708 -0.00219 0.00910 0.00000 188 4XY -0.00282 0.00728 -0.00432 -0.02054 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.01093 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.01015 191 18 C 1S 0.01798 -0.01487 -0.02868 0.02286 0.00000 192 2S 0.07009 -0.12255 -0.22917 -0.06024 0.00000 193 2PX 0.16262 0.14437 -0.08753 -0.06247 0.00000 194 2PY -0.12287 0.02904 0.10205 0.14462 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.03323 196 3S -1.03773 -0.03454 1.15829 0.13877 0.00000 197 3PX 0.74083 1.57340 0.13088 -1.00444 0.00000 198 3PY -0.44166 -0.93267 0.51170 1.05539 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.03296 200 4XX -0.00263 -0.03823 -0.03042 0.01181 0.00000 201 4YY 0.00693 -0.01606 -0.03561 0.01943 0.00000 202 4ZZ 0.00412 0.01237 0.01653 -0.01663 0.00000 203 4XY -0.01451 0.00552 0.00459 0.00445 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 -0.01485 205 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00128 206 19 H 1S -0.02642 -0.10784 -0.12748 0.12021 0.00000 207 2S 0.79127 0.20838 0.12319 0.54154 0.00000 208 20 H 1S -0.08689 0.01840 -0.01138 -0.03429 0.00000 209 2S 0.25204 -0.17383 -0.35369 -0.15748 0.00000 210 21 H 1S 0.08425 -0.02437 -0.10450 -0.00000 0.00000 211 2S -0.51005 0.14753 0.44050 0.00000 0.00000 212 22 H 1S -0.08329 0.03082 -0.01138 0.03429 0.00000 213 2S 0.30592 0.01244 -0.35369 0.15748 0.00000 214 23 H 1S 0.03522 0.10529 -0.12748 -0.12021 0.00000 215 2S 0.55787 -0.59859 0.12320 -0.54155 0.00000 216 24 C 1S 0.00266 0.00256 0.00274 -0.00000 0.00000 217 2S -0.09288 -0.08927 -0.40965 -0.00001 0.00000 218 2PX -0.23183 0.24584 0.01086 0.20071 0.00000 219 2PY 0.13924 -0.13676 0.01881 -0.11588 0.00000 220 2PZ 0.00000 0.00000 0.00000 0.00000 -0.13311 221 3S -0.33428 -0.32133 0.04695 0.00001 0.00000 222 3PX -1.26955 0.89010 0.30196 1.03386 0.00000 223 3PY 0.23614 -0.99150 0.52303 -0.59691 0.00000 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.02755 225 4XX -0.03157 -0.01952 -0.05549 0.00910 0.00000 226 4YY -0.00664 -0.01721 -0.05389 -0.00910 0.00000 227 4ZZ 0.00590 0.00567 0.01310 0.00000 0.00000 228 4XY 0.01051 0.01732 0.00160 0.00607 0.00000 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00138 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00239 231 25 C 1S -0.00899 -0.02153 -0.02867 -0.02286 0.00000 232 2S -0.00501 -0.14108 -0.22917 0.06023 0.00000 233 2PX -0.21113 0.05210 -0.08753 0.06247 0.00000 234 2PY -0.09524 -0.08289 -0.10205 0.14462 0.00000 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.03323 236 3S 0.93459 0.45237 1.15831 -0.13876 0.00000 237 3PX -1.38797 1.04782 0.13086 1.00444 0.00000 238 3PY -0.82500 0.61996 -0.51173 1.05539 0.00000 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.03296 240 4XX 0.02012 -0.03261 -0.03042 -0.01182 0.00000 241 4YY 0.00134 -0.01744 -0.03561 -0.01943 0.00000 242 4ZZ -0.00940 0.00903 0.01653 0.01663 0.00000 243 4XY -0.01027 -0.01164 -0.00459 0.00445 0.00000 244 4XZ 0.00000 0.00000 0.00000 0.00000 -0.01485 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00128 246 26 C 1S 0.03334 0.03882 0.03760 0.00976 0.00000 247 2S -0.03110 -0.12802 -0.17756 -0.01724 0.00000 248 2PX -0.08842 -0.13144 -0.11175 -0.03199 0.00000 249 2PY -0.02053 0.09308 -0.05473 0.05581 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.28601 251 3S -1.05366 -0.66335 -1.04505 0.23567 0.00000 252 3PX -0.53757 -0.45991 -0.81551 0.27692 0.00000 253 3PY -1.44620 1.48624 0.02739 1.61151 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26364 255 4XX 0.01202 0.00548 -0.01198 -0.00551 0.00000 256 4YY 0.00159 0.00740 -0.00536 0.02909 0.00000 257 4ZZ -0.00877 -0.01261 -0.00219 -0.00910 0.00000 258 4XY 0.00089 -0.00775 0.00432 -0.02054 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.01093 260 4YZ 0.00000 0.00000 0.00000 0.00000 -0.01015 261 27 C 1S -0.04317 -0.04149 -0.03582 -0.00000 0.00000 262 2S 0.03664 0.03522 -0.06907 -0.00000 0.00000 263 2PX 0.16301 -0.09457 0.02099 -0.29563 0.00000 264 2PY -0.00757 0.13779 0.03635 0.17068 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.33682 266 3S 0.88146 0.84729 1.21578 0.00001 0.00000 267 3PX 1.48967 -0.76279 0.47156 -0.95833 0.00000 268 3PY 0.04790 1.31315 0.81673 0.55330 0.00000 269 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26862 270 4XX -0.01963 -0.00895 -0.00879 0.00572 0.00000 271 4YY -0.00848 -0.01807 -0.02013 -0.00572 0.00000 272 4ZZ 0.01339 0.01288 0.01046 0.00000 0.00000 273 4XY -0.00206 0.00463 -0.01134 0.00381 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.01155 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.02001 276 28 C 1S 0.04011 0.03178 0.03760 -0.00976 0.00000 277 2S -0.12915 -0.02602 -0.17756 0.01724 0.00000 278 2PX 0.14726 0.02063 0.00848 -0.06433 0.00000 279 2PY -0.07067 -0.08411 -0.12414 -0.00021 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.28601 281 3S -0.70446 -1.02661 -1.04504 -0.23568 0.00000 282 3PX 1.47706 -1.04281 0.43150 -1.25714 0.00000 283 3PY 0.29760 -1.20132 -0.69253 -1.04558 0.00000 284 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26364 285 4XX 0.01286 0.00302 -0.01026 -0.03585 0.00000 286 4YY 0.00054 0.01007 -0.00708 0.01226 0.00000 287 4ZZ -0.01294 -0.00827 -0.00219 0.00910 0.00000 288 4XY -0.00310 -0.00465 0.00547 -0.00703 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 -0.01425 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00440 291 29 C 1S -0.02187 -0.00814 -0.02868 0.02286 0.00000 292 2S -0.14117 0.00057 -0.22917 -0.06024 0.00000 293 2PX -0.09684 0.02693 -0.04461 -0.09401 0.00000 294 2PY -0.00543 -0.23042 -0.12683 -0.12641 0.00000 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.03323 296 3S 0.48895 0.91597 1.15829 0.13877 0.00000 297 3PX 0.01216 -0.02097 -0.50859 -0.41178 0.00000 298 3PY 1.15270 -1.66133 -0.14251 -1.39757 0.00000 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.03296 300 4XX -0.01195 0.01422 -0.03086 0.02086 0.00000 301 4YY -0.03722 0.00920 -0.03516 0.01038 0.00000 302 4ZZ 0.00866 -0.00975 0.01653 -0.01663 0.00000 303 4XY 0.00119 -0.01459 -0.00489 0.00158 0.00000 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00853 305 4YZ 0.00000 0.00000 0.00000 0.00000 -0.01222 306 30 H 1S -0.08018 0.07680 -0.12748 0.12021 0.00000 307 2S -0.21517 -0.78945 0.12319 0.54154 0.00000 308 31 H 1S 0.05938 0.06605 -0.01138 -0.03429 0.00000 309 2S -0.27656 -0.13136 -0.35369 -0.15748 0.00000 310 32 H 1S -0.06323 -0.06078 -0.10450 -0.00000 0.00000 311 2S 0.38279 0.36795 0.44050 0.00000 0.00000 312 33 H 1S 0.06834 0.05672 -0.01138 0.03429 0.00000 313 2S -0.14219 -0.27115 -0.35369 0.15748 0.00000 314 34 H 1S 0.07357 -0.08315 -0.12748 -0.12021 0.00000 315 2S -0.79733 -0.18383 0.12320 -0.54155 0.00000 116 117 118 119 120 (E')--V (E')--V (A')--V (E")--V (E")--V Eigenvalues -- 0.42754 0.42754 0.43061 0.43398 0.43398 1 1 C 1S 0.00000 0.00000 -0.00827 0.00000 -0.00000 2 2S -0.00000 0.00000 -0.19173 0.00000 -0.00000 3 2PX -0.28771 0.00340 0.00000 0.00000 -0.00000 4 2PY 0.00340 0.28771 0.00000 0.00000 -0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 -0.00000 2.45991 0.00000 -0.00000 7 3PX -1.50323 0.01774 0.00000 0.00000 -0.00000 8 3PY 0.01774 1.50323 -0.00000 0.00000 -0.00000 9 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 10 4XX -0.00568 0.00007 0.01574 0.00000 -0.00000 11 4YY 0.00568 -0.00007 0.01574 0.00000 -0.00000 12 4ZZ -0.00000 0.00000 -0.01702 0.00000 -0.00000 13 4XY -0.00008 -0.00656 -0.00000 0.00000 -0.00000 14 4XZ 0.00000 0.00000 0.00000 0.01074 0.01522 15 4YZ 0.00000 0.00000 0.00000 -0.01522 0.01074 16 2 C 1S 0.00996 -0.00012 -0.03836 0.00000 -0.00000 17 2S -0.26382 0.00312 -0.04072 0.00000 -0.00000 18 2PX -0.30124 0.00356 -0.10312 0.00000 -0.00000 19 2PY -0.00188 -0.15939 0.00000 0.00000 -0.00000 20 2PZ 0.00000 0.00000 0.00000 -0.07174 -0.10163 21 3S -0.38073 0.00450 0.80987 0.00000 -0.00000 22 3PX -1.86825 0.02205 1.55913 0.00000 -0.00000 23 3PY -0.01568 -1.32944 -0.00001 0.00000 -0.00000 24 3PZ 0.00000 0.00000 0.00000 0.06394 0.09058 25 4XX -0.04456 0.00053 -0.00798 0.00000 -0.00000 26 4YY -0.03559 0.00042 -0.04709 0.00000 -0.00000 27 4ZZ 0.01658 -0.00020 0.02391 0.00000 -0.00000 28 4XY 0.00015 0.01250 -0.00000 0.00000 -0.00000 29 4XZ 0.00000 0.00000 0.00000 -0.01129 -0.01599 30 4YZ 0.00000 0.00000 0.00000 0.01098 -0.00775 31 3 C 1S -0.05740 -0.01499 0.02685 0.00000 -0.00000 32 2S -0.12933 0.04238 -0.17173 0.00000 -0.00000 33 2PX 0.10229 -0.07979 -0.04358 0.00000 -0.00000 34 2PY -0.01210 -0.07841 0.20211 0.00000 -0.00000 35 2PZ 0.00000 0.00000 0.00000 0.33848 -0.29094 36 3S 1.95076 -0.02622 -1.11301 0.00000 -0.00000 37 3PX 0.57513 -0.95239 -0.41193 0.00000 -0.00000 38 3PY -1.08889 -0.53407 0.68058 0.00000 -0.00000 39 3PZ 0.00000 0.00000 0.00000 -0.36499 0.37014 40 4XX -0.03348 -0.01830 -0.03833 0.00000 -0.00000 41 4YY -0.03914 -0.00013 0.01189 0.00000 -0.00000 42 4ZZ 0.02888 0.01190 -0.00485 0.00000 -0.00000 43 4XY 0.00553 0.00100 -0.02502 0.00000 -0.00000 44 4XZ 0.00000 0.00000 0.00000 0.02009 -0.00706 45 4YZ 0.00000 0.00000 0.00000 -0.00900 0.02420 46 4 C 1S 0.06082 0.01618 -0.02194 0.00000 -0.00000 47 2S -0.21738 -0.01812 -0.16283 0.00000 -0.00000 48 2PX 0.09561 0.04305 0.05090 0.00000 -0.00000 49 2PY 0.12286 0.02183 0.06795 0.00000 -0.00000 50 2PZ 0.00000 0.00000 0.00000 0.27433 0.14257 51 3S -1.76012 0.08836 1.27232 0.00000 -0.00000 52 3PX 0.61544 -1.09889 -0.50230 0.00000 -0.00000 53 3PY 1.26223 0.59955 -0.80249 0.00000 -0.00000 54 3PZ 0.00000 0.00000 0.00000 -0.20471 -0.17387 55 4XX -0.00505 0.00734 -0.02328 0.00000 -0.00000 56 4YY -0.00800 0.02168 0.00814 0.00000 -0.00000 57 4ZZ -0.00762 -0.01240 -0.00129 0.00000 -0.00000 58 4XY 0.00060 -0.01777 0.02485 0.00000 -0.00000 59 4XZ 0.00000 0.00000 0.00000 -0.01702 0.01977 60 4YZ 0.00000 0.00000 0.00000 -0.01935 -0.00666 61 5 C 1S -0.06157 0.00073 0.02448 0.00000 -0.00000 62 2S -0.05087 0.00060 -0.14644 0.00000 -0.00000 63 2PX -0.08909 0.00105 0.13346 0.00000 -0.00000 64 2PY 0.00368 0.31205 0.00000 0.00000 -0.00000 65 2PZ 0.00000 0.00000 0.00000 0.20407 0.28907 66 3S 2.04749 -0.02418 -0.94225 0.00000 -0.00000 67 3PX -1.52200 0.01798 0.72463 0.00000 -0.00000 68 3PY 0.00916 0.77714 -0.00000 0.00000 -0.00000 69 3PZ 0.00000 0.00000 0.00000 -0.17261 -0.24451 70 4XX -0.03062 0.00036 0.02339 0.00000 -0.00000 71 4YY -0.01312 0.00016 -0.04406 0.00000 -0.00000 72 4ZZ 0.02065 -0.00024 -0.00221 0.00000 -0.00000 73 4XY 0.00003 0.00237 0.00000 0.00000 -0.00000 74 4XZ 0.00000 0.00000 0.00000 -0.01500 -0.02125 75 4YZ 0.00000 0.00000 0.00000 0.00603 -0.00425 76 6 C 1S 0.06042 -0.01761 -0.02194 0.00000 -0.00000 77 2S -0.21689 0.02325 -0.16283 0.00000 -0.00000 78 2PX 0.09456 -0.04529 0.05090 0.00000 -0.00000 79 2PY -0.12231 0.02473 -0.06795 0.00000 -0.00000 80 2PZ 0.00000 0.00000 0.00000 0.04250 0.30622 81 3S -1.76171 -0.04677 1.27232 0.00000 -0.00000 82 3PX 0.64118 1.08405 -0.50229 0.00000 -0.00000 83 3PY -1.24774 0.62919 0.80249 0.00000 -0.00000 84 3PZ 0.00000 0.00000 0.00000 -0.09530 -0.25111 85 4XX -0.00522 -0.00722 -0.02328 0.00000 -0.00000 86 4YY -0.00851 -0.02149 0.00813 0.00000 -0.00000 87 4ZZ -0.00732 0.01257 -0.00129 0.00000 -0.00000 88 4XY -0.00102 -0.01775 -0.02485 0.00000 -0.00000 89 4XZ 0.00000 0.00000 0.00000 0.02433 -0.00942 90 4YZ 0.00000 0.00000 0.00000 -0.00020 0.02046 91 7 C 1S -0.05703 0.01634 0.02685 0.00000 -0.00000 92 2S -0.13030 -0.03931 -0.17173 0.00000 -0.00000 93 2PX 0.10414 0.07735 -0.04358 0.00000 -0.00000 94 2PY 0.01025 -0.07868 -0.20211 0.00000 -0.00000 95 2PZ 0.00000 0.00000 0.00000 -0.38747 0.22155 96 3S 1.95083 -0.01985 -1.11301 0.00000 -0.00000 97 3PX 0.59742 0.93854 -0.41192 0.00000 -0.00000 98 3PY 1.07599 -0.55963 -0.68058 0.00000 -0.00000 99 3PZ 0.00000 0.00000 0.00000 0.47099 -0.22001 100 4XX -0.03304 0.01908 -0.03833 0.00000 -0.00000 101 4YY -0.03912 0.00105 0.01189 0.00000 -0.00000 102 4ZZ 0.02859 -0.01258 -0.00485 0.00000 -0.00000 103 4XY -0.00550 0.00113 0.02502 0.00000 -0.00000 104 4XZ 0.00000 0.00000 0.00000 -0.01338 0.01656 105 4YZ 0.00000 0.00000 0.00000 -0.02582 0.00038 106 8 H 1S -0.13937 0.04112 0.14675 0.00000 -0.00000 107 2S 0.49583 -0.06167 -0.43895 0.00000 -0.00000 108 9 H 1S 0.03776 -0.05167 0.07953 0.00000 -0.00000 109 2S -0.61282 0.03406 0.24682 0.00000 -0.00000 110 10 H 1S -0.14777 0.00175 0.14044 0.00000 -0.00000 111 2S 0.67181 -0.00794 -0.41001 0.00000 -0.00000 112 11 H 1S 0.03897 0.05076 0.07953 0.00000 -0.00000 113 2S -0.61346 -0.01958 0.24682 0.00000 -0.00000 114 12 H 1S -0.14031 -0.03782 0.14675 0.00000 -0.00000 115 2S 0.49715 0.04996 -0.43896 0.00000 -0.00000 116 13 C 1S -0.00508 -0.00857 -0.03836 0.00000 -0.00000 117 2S 0.13461 0.22692 -0.04072 0.00000 -0.00000 118 2PX 0.04188 -0.19998 0.05156 0.00000 -0.00000 119 2PY 0.20166 0.18373 -0.08930 0.00000 -0.00000 120 2PZ 0.00000 0.00000 0.00000 0.12389 -0.01132 121 3S 0.19427 0.32747 0.80987 0.00000 -0.00000 122 3PX 0.51368 -1.39088 -0.77956 0.00000 -0.00000 123 3PY 1.39726 1.05249 1.35024 0.00000 -0.00000 124 3PZ 0.00000 0.00000 0.00000 -0.11041 0.01009 125 4XX 0.02736 0.02775 -0.03731 0.00000 -0.00000 126 4YY 0.01353 0.04118 -0.01776 0.00000 -0.00000 127 4ZZ -0.00846 -0.01426 0.02391 0.00000 -0.00000 128 4XY -0.00766 -0.00067 -0.01955 0.00000 -0.00000 129 4XZ 0.00000 0.00000 0.00000 -0.01081 -0.01070 130 4YZ 0.00000 0.00000 0.00000 0.01627 -0.00824 131 14 C 1S 0.04267 0.04122 0.02685 0.00000 -0.00000 132 2S 0.03110 0.13250 -0.17173 0.00000 -0.00000 133 2PX 0.05599 0.03805 0.19682 0.00000 -0.00000 134 2PY 0.04955 -0.12683 0.06331 0.00000 -0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00187 -0.44633 136 3S -0.99261 -1.67954 -1.11301 0.00000 -0.00000 137 3PX 0.62860 1.05799 0.79535 0.00000 -0.00000 138 3PY 0.95654 -0.52846 -0.01644 0.00000 -0.00000 139 3PZ 0.00000 0.00000 0.00000 -0.04496 0.51789 140 4XX 0.02641 0.03294 0.01810 0.00000 -0.00000 141 4YY 0.02711 0.01949 -0.04454 0.00000 -0.00000 142 4ZZ -0.02519 -0.01847 -0.00485 0.00000 -0.00000 143 4XY -0.00815 0.00504 0.01260 0.00000 -0.00000 144 4XZ 0.00000 0.00000 0.00000 -0.00707 0.02946 145 4YZ 0.00000 0.00000 0.00000 -0.01292 -0.00593 146 15 C 1S -0.04546 -0.04352 -0.02194 0.00000 -0.00000 147 2S 0.12858 0.17621 -0.16283 0.00000 -0.00000 148 2PX -0.02825 -0.05140 0.03339 0.00000 -0.00000 149 2PY -0.11620 -0.09809 0.07806 0.00000 -0.00000 150 2PZ 0.00000 0.00000 0.00000 -0.28645 -0.11631 151 3S 0.84035 1.54907 1.27232 0.00000 -0.00000 152 3PX -1.32129 -0.11471 -0.44383 0.00000 -0.00000 153 3PY -0.04899 -1.33328 -0.83624 0.00000 -0.00000 154 3PZ 0.00000 0.00000 0.00000 0.26512 0.04302 155 4XX -0.02282 0.02294 -0.01835 0.00000 -0.00000 156 4YY 0.00483 0.00331 0.00321 0.00000 -0.00000 157 4ZZ 0.01455 0.00006 -0.00129 0.00000 -0.00000 158 4XY 0.00207 0.00011 0.02813 0.00000 -0.00000 159 4XZ 0.00000 0.00000 0.00000 0.01726 -0.00388 160 4YZ 0.00000 0.00000 0.00000 0.00534 0.02753 161 16 C 1S 0.03142 0.05296 0.02448 0.00000 -0.00000 162 2S 0.02596 0.04376 -0.14644 0.00000 -0.00000 163 2PX -0.25517 0.09957 -0.06673 0.00000 -0.00000 164 2PY -0.09483 0.14597 0.11558 0.00000 -0.00000 165 2PZ 0.00000 0.00000 0.00000 -0.35238 0.03219 166 3S -1.04469 -1.76109 -0.94225 0.00000 -0.00000 167 3PX -0.96718 -0.31117 -0.36231 0.00000 -0.00000 168 3PY 0.33831 1.33197 0.62755 0.00000 -0.00000 169 3PZ 0.00000 0.00000 0.00000 0.29805 -0.02723 170 4XX 0.01046 0.01414 -0.02720 0.00000 -0.00000 171 4YY 0.01186 0.02348 0.00653 0.00000 -0.00000 172 4ZZ -0.01053 -0.01776 -0.00221 0.00000 -0.00000 173 4XY -0.00548 -0.00692 -0.03372 0.00000 -0.00000 174 4XZ 0.00000 0.00000 0.00000 -0.01353 -0.00518 175 4YZ 0.00000 0.00000 0.00000 0.02209 -0.00572 176 17 C 1S -0.01640 -0.06076 -0.02194 0.00000 -0.00000 177 2S 0.09300 0.19732 -0.16283 0.00000 -0.00000 178 2PX 0.04209 0.15376 -0.08430 0.00000 -0.00000 179 2PY 0.01215 -0.03169 0.01011 0.00000 -0.00000 180 2PZ 0.00000 0.00000 0.00000 -0.26063 0.16629 181 3S 0.95658 1.48012 1.27232 0.00000 -0.00000 182 3PX 0.72660 1.19806 0.94612 0.00000 -0.00000 183 3PY -1.03471 0.71070 -0.03376 0.00000 -0.00000 184 3PZ 0.00000 0.00000 0.00000 0.25293 -0.09035 185 4XX 0.00754 0.00351 0.01892 0.00000 -0.00000 186 4YY 0.02412 -0.00672 -0.03406 0.00000 -0.00000 187 4ZZ -0.00693 0.01280 -0.00129 0.00000 -0.00000 188 4XY 0.01479 -0.00649 0.00329 0.00000 -0.00000 189 4XZ 0.00000 0.00000 0.00000 -0.00907 0.02394 190 4YZ 0.00000 0.00000 0.00000 -0.01518 -0.01461 191 18 C 1S 0.01572 0.05720 0.02685 0.00000 -0.00000 192 2S 0.10137 0.09081 -0.17173 0.00000 -0.00000 193 2PX 0.11369 -0.01869 -0.15324 0.00000 -0.00000 194 2PY -0.07321 -0.06701 -0.13880 0.00000 -0.00000 195 2PZ 0.00000 0.00000 0.00000 0.08272 0.43860 196 3S -0.99809 -1.67629 -1.11301 0.00000 -0.00000 197 3PX 0.48523 -1.03699 -0.38343 0.00000 -0.00000 198 3PY -1.00429 -0.62397 -0.69703 0.00000 -0.00000 199 3PZ 0.00000 0.00000 0.00000 -0.13806 -0.50117 200 4XX 0.01339 0.03104 -0.01943 0.00000 -0.00000 201 4YY 0.00696 0.04106 -0.00701 0.00000 -0.00000 202 4ZZ -0.00413 -0.03096 -0.00485 0.00000 -0.00000 203 4XY 0.01023 0.00055 0.03762 0.00000 -0.00000 204 4XZ 0.00000 0.00000 0.00000 0.01622 0.00677 205 4YZ 0.00000 0.00000 0.00000 0.00483 0.02807 206 19 H 1S 0.03740 0.14042 0.14675 0.00000 -0.00000 207 2S -0.20531 -0.45552 -0.43896 0.00000 -0.00000 208 20 H 1S 0.02448 -0.05913 0.07953 0.00000 -0.00000 209 2S 0.28977 0.54106 0.24682 0.00000 -0.00000 210 21 H 1S 0.07540 0.12710 0.14044 0.00000 -0.00000 211 2S -0.34278 -0.57783 -0.41001 0.00000 -0.00000 212 22 H 1S -0.06363 -0.00687 0.07953 0.00000 -0.00000 213 2S 0.33591 0.51369 0.24682 0.00000 -0.00000 214 23 H 1S 0.10530 0.10014 0.14675 0.00000 -0.00000 215 2S -0.30133 -0.39857 -0.43895 0.00000 -0.00000 216 24 C 1S -0.00488 0.00869 -0.03836 0.00000 -0.00000 217 2S 0.12921 -0.23004 -0.04072 0.00000 -0.00000 218 2PX 0.04659 0.19894 0.05156 0.00000 -0.00000 219 2PY -0.19726 0.18844 0.08930 0.00000 -0.00000 220 2PZ 0.00000 0.00000 0.00000 -0.05214 0.11295 221 3S 0.18647 -0.33198 0.80987 0.00000 -0.00000 222 3PX 0.54635 1.37839 -0.77957 0.00000 -0.00000 223 3PY -1.37202 1.08517 -1.35024 0.00000 -0.00000 224 3PZ 0.00000 0.00000 0.00000 0.04647 -0.10066 225 4XX 0.02670 -0.02839 -0.03731 0.00000 -0.00000 226 4YY 0.01255 -0.04149 -0.01776 0.00000 -0.00000 227 4ZZ -0.00812 0.01445 0.02391 0.00000 -0.00000 228 4XY 0.00765 -0.00085 0.01955 0.00000 -0.00000 229 4XZ 0.00000 0.00000 0.00000 -0.00647 -0.01377 230 4YZ 0.00000 0.00000 0.00000 0.01321 -0.01258 231 25 C 1S 0.01436 -0.05756 0.02685 0.00000 -0.00000 232 2S 0.09920 -0.09318 -0.17173 0.00000 -0.00000 233 2PX 0.11410 0.01600 -0.15324 0.00000 -0.00000 234 2PY 0.07160 -0.06872 0.13880 0.00000 -0.00000 235 2PZ 0.00000 0.00000 0.00000 0.38560 0.22479 236 3S -0.95822 1.69939 -1.11301 0.00000 -0.00000 237 3PX 0.50956 1.02527 -0.38344 0.00000 -0.00000 238 3PY 0.98927 -0.64749 0.69702 0.00000 -0.00000 239 3PZ 0.00000 0.00000 0.00000 -0.42603 -0.29788 240 4XX 0.01266 -0.03135 -0.01943 0.00000 -0.00000 241 4YY 0.00599 -0.04122 -0.00701 0.00000 -0.00000 242 4ZZ -0.00340 0.03105 -0.00485 0.00000 -0.00000 243 4XY -0.01022 0.00079 -0.03762 0.00000 -0.00000 244 4XZ 0.00000 0.00000 0.00000 0.00095 0.01755 245 4YZ 0.00000 0.00000 0.00000 -0.02483 -0.01395 246 26 C 1S -0.01496 0.06113 -0.02194 0.00000 -0.00000 247 2S 0.08831 -0.19946 -0.16283 0.00000 -0.00000 248 2PX 0.03844 -0.15471 -0.08430 0.00000 -0.00000 249 2PY -0.01290 -0.03139 -0.01011 0.00000 -0.00000 250 2PZ 0.00000 0.00000 0.00000 0.24395 -0.18992 251 3S 0.92135 -1.50230 1.27232 0.00000 -0.00000 252 3PX 0.69810 -1.21488 0.94612 0.00000 -0.00000 253 3PY 1.05119 0.68610 0.03375 0.00000 -0.00000 254 3PZ 0.00000 0.00000 0.00000 -0.16982 0.20809 255 4XX 0.00745 -0.00369 0.01891 0.00000 -0.00000 256 4YY 0.02427 0.00615 -0.03406 0.00000 -0.00000 257 4ZZ -0.00723 -0.01263 -0.00129 0.00000 -0.00000 258 4XY -0.01494 -0.00614 -0.00329 0.00000 -0.00000 259 4XZ 0.00000 0.00000 0.00000 0.02559 -0.00053 260 4YZ 0.00000 0.00000 0.00000 0.00869 0.01919 261 27 C 1S 0.03016 -0.05369 0.02448 0.00000 -0.00000 262 2S 0.02492 -0.04436 -0.14644 0.00000 -0.00000 263 2PX -0.25745 -0.09352 -0.06673 0.00000 -0.00000 264 2PY 0.09826 0.14369 -0.11558 0.00000 -0.00000 265 2PZ 0.00000 0.00000 0.00000 0.14831 -0.32126 266 3S -1.00280 1.78527 -0.94225 0.00000 -0.00000 267 3PX -0.95954 0.33390 -0.36232 0.00000 -0.00000 268 3PY -0.30676 1.33961 -0.62755 0.00000 -0.00000 269 3PZ 0.00000 0.00000 0.00000 -0.12544 0.27174 270 4XX 0.01012 -0.01439 -0.02720 0.00000 -0.00000 271 4YY 0.01130 -0.02375 0.00653 0.00000 -0.00000 272 4ZZ -0.01011 0.01800 -0.00221 0.00000 -0.00000 273 4XY 0.00532 -0.00705 0.03372 0.00000 -0.00000 274 4XZ 0.00000 0.00000 0.00000 -0.00035 -0.01448 275 4YZ 0.00000 0.00000 0.00000 0.01279 -0.01890 276 28 C 1S -0.04442 0.04458 -0.02194 0.00000 -0.00000 277 2S 0.12438 -0.17920 -0.16283 0.00000 -0.00000 278 2PX -0.02703 0.05205 0.03339 0.00000 -0.00000 279 2PY 0.11385 -0.10081 -0.07806 0.00000 -0.00000 280 2PZ 0.00000 0.00000 0.00000 -0.01370 -0.30886 281 3S 0.80353 -1.56849 1.27232 0.00000 -0.00000 282 3PX -1.31820 0.14585 -0.44382 0.00000 -0.00000 283 3PY 0.01749 -1.33409 0.83624 0.00000 -0.00000 284 3PZ 0.00000 0.00000 0.00000 -0.04822 0.26422 285 4XX -0.02335 -0.02239 -0.01835 0.00000 -0.00000 286 4YY 0.00475 -0.00342 0.00321 0.00000 -0.00000 287 4ZZ 0.01455 -0.00040 -0.00129 0.00000 -0.00000 288 4XY -0.00207 0.00016 -0.02813 0.00000 -0.00000 289 4XZ 0.00000 0.00000 0.00000 -0.00943 0.01497 290 4YZ 0.00000 0.00000 0.00000 -0.02415 -0.01425 291 29 C 1S 0.04168 -0.04221 0.02685 0.00000 -0.00000 292 2S 0.02796 -0.13319 -0.17173 0.00000 -0.00000 293 2PX 0.05507 -0.03936 0.19682 0.00000 -0.00000 294 2PY -0.05253 -0.12563 -0.06331 0.00000 -0.00000 295 2PZ 0.00000 0.00000 0.00000 -0.42120 -0.14767 296 3S -0.95267 1.70252 -1.11301 0.00000 -0.00000 297 3PX 0.60344 -1.07254 0.79536 0.00000 -0.00000 298 3PY -0.96874 -0.50576 0.01645 0.00000 -0.00000 299 3PZ 0.00000 0.00000 0.00000 0.50305 0.13102 300 4XX 0.02563 -0.03355 0.01810 0.00000 -0.00000 301 4YY 0.02664 -0.02013 -0.04454 0.00000 -0.00000 302 4ZZ -0.02474 0.01906 -0.00485 0.00000 -0.00000 303 4XY 0.00827 0.00485 -0.01260 0.00000 -0.00000 304 4XZ 0.00000 0.00000 0.00000 0.03013 0.00320 305 4YZ 0.00000 0.00000 0.00000 0.00126 0.01416 306 30 H 1S 0.10291 -0.10260 0.14675 0.00000 -0.00000 307 2S -0.29184 0.40556 -0.43896 0.00000 -0.00000 308 31 H 1S -0.06345 0.00837 0.07953 0.00000 -0.00000 309 2S 0.32368 -0.52148 0.24682 0.00000 -0.00000 310 32 H 1S 0.07237 -0.12885 0.14044 0.00000 -0.00000 311 2S -0.32903 0.58577 -0.41001 0.00000 -0.00000 312 33 H 1S 0.02587 0.05854 0.07953 0.00000 -0.00000 313 2S 0.27691 -0.54775 0.24682 0.00000 -0.00000 314 34 H 1S 0.03407 -0.14126 0.14675 0.00000 -0.00000 315 2S -0.19451 0.46024 -0.43895 0.00000 -0.00000 121 122 123 124 125 (E')--V (E')--V (E')--V (E')--V (A')--V Eigenvalues -- 0.45255 0.45255 0.45644 0.45644 0.46689 1 1 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 2 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 3 2PX 0.00221 -0.01546 -0.08360 0.00057 0.00000 4 2PY -0.01546 -0.00221 0.00057 0.08360 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.00000 -0.00000 0.00000 0.00000 0.00001 7 3PX -0.27441 1.92313 -0.39553 0.00277 0.00000 8 3PY 1.92313 0.27441 0.00277 0.39553 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.00171 0.01200 -0.03764 0.00026 0.00000 11 4YY 0.00171 -0.01200 0.03764 -0.00026 0.00000 12 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 13 4XY -0.01385 -0.00198 -0.00030 -0.04346 -0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00698 -0.04892 -0.01731 0.00012 -0.00000 17 2S 0.00358 -0.02501 -0.27969 0.00193 0.00000 18 2PX -0.00559 0.03916 0.12474 -0.00086 -0.00000 19 2PY 0.22010 0.03140 0.00130 0.18786 -0.15290 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S -0.10711 0.75044 1.17160 -0.00806 -0.00000 22 3PX -0.33710 2.36241 0.03632 -0.00019 0.00000 23 3PY -1.27270 -0.18158 -0.00761 -1.10033 -0.59722 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX 0.00166 -0.01160 -0.04210 0.00029 0.00000 26 4YY 0.00916 -0.06420 -0.01840 0.00013 -0.00000 27 4ZZ -0.00431 0.03019 0.00639 -0.00004 0.00000 28 4XY -0.00768 -0.00110 0.00004 0.00572 0.00073 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00864 0.03840 0.01175 0.03631 0.01133 32 2S 0.06582 -0.19134 -0.25303 0.01179 -0.13825 33 2PX 0.05714 -0.01088 -0.07218 -0.20973 -0.22618 34 2PY -0.05000 0.31151 0.05722 0.01847 -0.02654 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.33323 -0.74854 -0.01523 -0.24531 -0.25056 37 3PX -0.39761 -0.38141 0.07948 -0.80544 -0.59793 38 3PY -0.65999 1.14683 0.37859 -0.33054 -0.46207 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX 0.02027 -0.01854 -0.01444 0.05811 0.01523 41 4YY 0.02178 0.03090 -0.03225 0.01109 -0.02886 42 4ZZ -0.01354 -0.02308 0.00875 -0.02596 -0.00092 43 4XY 0.01840 -0.02570 0.00716 0.00698 -0.00900 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00190 -0.01122 -0.02175 -0.03416 -0.03830 47 2S 0.05843 -0.17715 -0.22514 0.05936 -0.08068 48 2PX -0.03185 -0.09084 -0.05250 -0.29036 -0.15983 49 2PY -0.04221 0.21180 0.02355 0.03453 0.00446 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.04647 1.02112 0.51324 0.12651 0.19361 52 3PX 0.01725 -0.26238 0.02178 -0.66556 -0.67227 53 3PY 0.26365 -1.01695 -0.29321 0.24793 0.35082 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.01076 -0.03237 -0.03789 -0.03925 -0.05326 56 4YY 0.00062 0.02681 -0.04153 -0.01401 -0.04156 57 4ZZ -0.00309 -0.00563 0.02459 0.02367 0.03410 58 4XY 0.00107 0.02578 -0.01382 0.01218 0.01749 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00081 -0.00570 0.00154 -0.00001 0.00000 62 2S 0.02314 -0.16211 -0.29218 0.00201 0.00000 63 2PX -0.01351 0.09467 0.05902 -0.00040 0.00000 64 2PY -0.03505 -0.00499 -0.00158 -0.22886 -0.33651 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.13793 -0.96661 -0.14931 0.00101 -0.00000 67 3PX -0.08139 0.57030 0.30922 -0.00212 -0.00000 68 3PY 0.05659 0.00804 0.00816 1.18334 1.25756 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.00228 0.01598 -0.04734 0.00033 0.00000 71 4YY 0.01328 -0.09304 -0.03121 0.00021 0.00000 72 4ZZ -0.00267 0.01874 0.01817 -0.00012 -0.00000 73 4XY 0.00086 0.00012 0.00001 0.00173 -0.00757 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00132 -0.01131 -0.02128 0.03445 0.03830 77 2S -0.00654 -0.18642 -0.22594 -0.05626 0.08068 78 2PX 0.05599 -0.07833 -0.04848 0.29105 0.15983 79 2PY 0.01872 -0.21515 -0.02308 0.03484 0.00446 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S -0.33024 0.96737 0.51143 -0.13353 -0.19361 82 3PX 0.05683 -0.25677 0.03094 0.66519 0.67226 83 3PY -0.03132 1.05009 0.29660 0.24391 0.35082 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX -0.00128 -0.03409 -0.03734 0.03977 0.05326 86 4YY -0.00809 0.02557 -0.04133 0.01458 0.04156 87 4ZZ 0.00454 -0.00454 0.02426 -0.02401 -0.03410 88 4XY 0.00824 -0.02445 0.01398 0.01199 0.01749 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.01903 0.03445 0.01124 -0.03647 -0.01133 92 2S -0.00967 -0.20211 -0.25317 -0.00830 0.13825 93 2PX -0.05182 -0.02644 -0.06928 0.21071 0.22618 94 2PY 0.03913 -0.31306 -0.05696 0.01924 -0.02654 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.11056 -0.81188 -0.01185 0.24546 0.25056 97 3PX 0.48842 -0.25502 0.09059 0.80426 0.59793 98 3PY -0.31287 -1.28563 -0.38313 -0.32535 -0.46207 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX -0.01428 -0.02347 -0.01524 -0.05790 -0.01523 101 4YY -0.02955 0.02357 -0.03240 -0.01064 0.02886 102 4ZZ 0.01945 -0.01837 0.00911 0.02583 0.00092 103 4XY 0.01048 0.02982 -0.00707 0.00708 -0.00900 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S -0.13875 0.19353 -0.10313 -0.10851 0.02076 107 2S -0.30279 -1.57653 -0.19584 0.06262 -0.36412 108 9 H 1S -0.03780 0.14613 -0.16616 0.08643 0.14463 109 2S 0.03248 0.33504 0.12862 -0.06833 0.03490 110 10 H 1S -0.01374 0.09629 -0.13444 0.00093 0.00000 111 2S 0.04917 -0.34457 -0.13903 0.00095 -0.00000 112 11 H 1S -0.00458 0.15088 -0.16734 -0.08412 -0.14463 113 2S -0.12490 0.31258 0.12955 0.06656 -0.03490 114 12 H 1S 0.07909 0.22461 -0.10161 0.10993 -0.02075 115 2S 0.73166 -1.42892 -0.19666 -0.05998 0.36412 116 13 C 1S -0.04585 0.01841 0.00876 0.01493 -0.00000 117 2S -0.02345 0.00941 0.14152 0.24125 0.00000 118 2PX 0.05340 0.18604 -0.10877 0.13612 0.13241 119 2PY 0.07322 0.09039 -0.13568 -0.04565 0.07645 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 0.70346 -0.28246 -0.59278 -1.01060 -0.00000 122 3PX -1.52214 -0.58852 0.83112 -0.46649 0.51720 123 3PY 1.67823 -1.36661 0.45868 -0.30553 0.29861 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.04568 0.02462 0.01601 0.01881 0.00054 126 4YY -0.02537 0.00392 0.01460 0.03337 -0.00054 127 4ZZ 0.02830 -0.01136 -0.00323 -0.00551 0.00000 128 4XY -0.02610 0.00630 -0.00846 -0.00877 -0.00036 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.03935 -0.00074 -0.03720 0.00850 -0.01133 132 2S -0.17020 0.10943 0.11939 0.22340 0.13825 133 2PX 0.25024 -0.13526 -0.14765 -0.01171 -0.09011 134 2PY 0.14795 -0.01101 0.16546 -0.05913 0.20915 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -0.64783 0.50169 0.21850 -0.11247 0.25056 137 3PX 1.06127 -0.64361 -0.24750 -0.18794 0.10120 138 3PY 0.07572 -0.71277 0.60906 -0.66343 0.74886 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.03853 -0.00161 0.00186 0.03751 0.01109 141 4YY -0.01653 0.03951 -0.03740 0.03802 0.00254 142 4ZZ -0.02563 -0.00766 0.01782 -0.02080 0.00092 143 4XY 0.01390 0.00684 0.01992 -0.00568 0.02654 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S -0.01045 0.00451 0.04048 0.00120 0.03830 147 2S -0.15817 0.09888 0.06425 0.22380 0.08068 148 2PX 0.21738 -0.07447 -0.17427 0.04955 -0.08378 149 2PY 0.01485 -0.05376 0.21843 -0.09095 0.13619 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 1.00289 -0.19769 -0.37136 -0.37615 -0.19361 152 3PX -0.67574 0.39163 -0.33480 0.50776 -0.63995 153 3PY -0.67972 0.31753 0.45403 -0.12184 0.40679 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX -0.00655 0.00402 0.04079 0.01091 0.05760 156 4YY 0.00386 0.00835 0.04562 0.03005 0.03722 157 4ZZ -0.00620 -0.00166 -0.03292 -0.00901 -0.03410 158 4XY 0.04018 -0.01451 -0.01160 0.01707 -0.01459 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.00534 0.00215 -0.00078 -0.00133 0.00000 162 2S -0.15196 0.06101 0.14783 0.25203 0.00000 163 2PX -0.05580 -0.01063 0.18589 -0.07483 0.29143 164 2PY 0.07025 -0.04729 0.07285 -0.10199 0.16826 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.90607 0.36385 0.07553 0.12881 -0.00000 167 3PX -0.24882 0.15325 -0.80575 0.65188 -1.08908 168 3PY 0.47364 -0.15940 -0.64585 0.06837 -0.62878 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX -0.06191 0.02416 0.01895 0.02975 -0.00568 171 4YY -0.01033 0.00485 0.02079 0.03801 0.00568 172 4ZZ 0.01757 -0.00706 -0.00919 -0.01568 -0.00000 173 4XY -0.05093 0.02092 -0.00483 -0.00652 0.00379 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.01067 0.00397 -0.01870 0.03592 -0.03830 177 2S -0.18263 0.03797 0.16398 0.16530 -0.08068 178 2PX -0.14575 0.02355 0.09691 -0.06270 0.07605 179 2PY -0.15661 0.09790 -0.20410 0.18393 -0.14065 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.86108 -0.55080 -0.14706 -0.50773 0.19361 182 3PX 0.99481 -0.30074 -0.01926 -0.26951 0.03231 183 3PY 0.30201 -0.03940 -0.68926 0.20688 -0.75761 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.02517 -0.01910 0.01580 0.04974 -0.03137 186 4YY -0.03567 0.01203 -0.02222 0.04566 -0.06345 187 4ZZ -0.00334 0.00549 0.00820 -0.03313 0.03410 188 4XY 0.01727 -0.00349 0.00311 -0.00767 -0.00290 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.02893 -0.02668 0.02557 -0.02833 0.01133 192 2S -0.19861 0.03866 0.13672 0.21323 -0.13825 193 2PX -0.23629 0.11942 0.08370 -0.03277 0.13607 194 2PY -0.18029 0.01808 -0.11974 0.17435 -0.18261 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.81487 0.08569 -0.20483 0.13584 -0.25056 197 3PX -1.08015 -0.26592 0.78048 -0.02613 0.69913 198 3PY -0.77547 0.46428 -0.40072 0.37046 -0.28679 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX -0.01824 -0.03011 0.03553 0.00538 -0.02458 201 4YY 0.00791 -0.01248 0.04774 0.00046 0.01095 202 4ZZ -0.01322 0.02326 -0.02685 0.00540 -0.00092 203 4XY 0.03676 -0.01147 -0.01714 0.02431 -0.01754 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.15497 -0.18080 0.14601 0.03303 -0.02075 207 2S -1.60331 0.08083 0.04638 0.20030 0.36412 208 20 H 1S 0.13295 -0.07148 0.01082 0.18698 -0.14463 209 2S 0.33315 -0.04812 -0.00713 -0.14548 -0.03490 210 21 H 1S 0.09026 -0.03625 0.06803 0.11597 0.00000 211 2S -0.32300 0.12970 0.07034 0.11993 -0.00000 212 22 H 1S 0.14545 -0.04033 0.15793 0.10069 0.14463 213 2S 0.27391 -0.19565 -0.12349 -0.07723 0.03490 214 23 H 1S 0.23698 0.02340 -0.04241 0.14356 0.02076 215 2S -1.21393 1.05049 0.15215 0.13829 -0.36412 216 24 C 1S 0.03887 0.03050 0.00855 -0.01505 -0.00000 217 2S 0.01987 0.01560 0.13817 -0.24318 0.00000 218 2PX -0.10330 0.16369 -0.11065 -0.13460 -0.13241 219 2PY 0.09557 -0.06630 0.13504 -0.04752 0.07645 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.59634 -0.46798 -0.57882 1.01867 -0.00000 222 3PX 1.62596 -0.13932 0.83754 0.45498 -0.51721 223 3PY 1.22903 1.78148 -0.46278 -0.29911 0.29861 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.03697 0.03641 0.01575 -0.01903 -0.00054 226 4YY 0.02326 0.01086 0.01414 -0.03357 0.00054 227 4ZZ -0.02399 -0.01883 -0.00316 0.00555 0.00000 228 4XY -0.02329 -0.01335 0.00834 -0.00889 -0.00036 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S -0.02032 -0.03371 0.02596 0.02797 -0.01133 232 2S 0.17987 0.09268 0.13377 -0.21510 0.13825 233 2PX 0.19345 0.18074 0.08415 0.03163 -0.13607 234 2PY -0.16804 -0.06780 0.12212 0.17268 -0.18261 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S 0.75839 0.31019 -0.20665 -0.13299 0.25056 237 3PX 1.11138 0.04680 0.78081 0.01537 -0.69913 238 3PY -0.61468 -0.66267 0.40575 0.36488 -0.28679 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.02593 -0.02381 0.03545 -0.00587 0.02458 241 4YY -0.00411 -0.01419 0.04773 -0.00112 -0.01095 242 4ZZ 0.00618 0.02603 -0.02692 -0.00503 0.00092 243 4XY 0.03208 0.02129 0.01747 0.02408 -0.01754 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00913 0.00679 -0.01920 -0.03565 0.03830 247 2S 0.16471 0.08754 0.16169 -0.16754 0.08068 248 2PX 0.13334 0.06338 0.09777 0.06136 -0.07605 249 2PY -0.12299 -0.13780 0.20661 0.18109 -0.14065 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.67265 -0.76969 -0.14007 0.50968 -0.19361 252 3PX -0.87098 -0.56699 -0.01559 0.26973 -0.03231 253 3PY 0.27890 0.12228 0.69205 0.19737 -0.75761 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX -0.01883 -0.02538 0.01511 -0.04996 0.03137 256 4YY 0.03088 0.02153 -0.02285 -0.04535 0.06345 257 4ZZ 0.00167 0.00620 0.00866 0.03302 -0.03410 258 4XY 0.01560 0.00818 -0.00321 -0.00763 -0.00289 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00453 0.00355 -0.00076 0.00134 0.00000 262 2S 0.12882 0.10109 0.14435 -0.25404 0.00000 263 2PX 0.05654 0.00539 0.18691 0.07226 -0.29143 264 2PY 0.05423 0.06506 -0.07424 -0.10097 0.16826 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.76814 0.60276 0.07378 -0.12982 -0.00000 267 3PX 0.19607 0.21678 -0.81465 -0.64071 1.08908 268 3PY 0.41011 0.28550 0.64674 0.05947 -0.62878 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX 0.05268 0.04051 0.01854 -0.03000 0.00568 271 4YY 0.00856 0.00754 0.02027 -0.03829 -0.00568 272 4ZZ -0.01489 -0.01169 -0.00898 0.01580 -0.00000 273 4XY -0.04305 -0.03433 0.00473 -0.00658 0.00379 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00877 0.00726 0.04046 -0.00176 -0.03830 277 2S 0.12420 0.13918 0.06116 -0.22466 -0.08068 278 2PX -0.18787 -0.13229 -0.17495 -0.04714 0.08378 279 2PY -0.00076 0.05578 -0.21966 -0.08792 0.13618 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.90755 -0.47032 -0.36618 0.38122 0.19361 282 3PX 0.53925 0.56502 -0.34173 -0.50308 0.63995 283 3PY -0.56376 -0.49496 -0.45569 -0.11559 0.40679 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX 0.00516 0.00569 0.04064 -0.01147 -0.05760 286 4YY -0.00604 0.00694 0.04520 -0.03067 -0.03722 287 4ZZ 0.00642 0.00014 -0.03280 0.00946 0.03410 288 4XY 0.03452 0.02517 0.01184 0.01691 -0.01459 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.03757 -0.01172 -0.03732 -0.00798 0.01133 292 2S 0.13279 0.15267 0.11631 -0.22502 -0.13825 293 2PX -0.20241 -0.19985 -0.14749 0.01374 0.09011 294 2PY 0.13898 0.05196 -0.16625 -0.05684 0.20914 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S 0.48164 0.66286 0.22006 0.10947 -0.25056 297 3PX -0.83889 -0.91476 -0.24492 0.19130 -0.10120 298 3PY -0.12663 0.70554 -0.61815 -0.65494 0.74886 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX -0.03655 -0.01232 0.00134 -0.03753 -0.01109 301 4YY 0.00482 0.04256 -0.03792 -0.03750 -0.00254 302 4ZZ 0.02675 -0.00019 0.01810 0.02055 -0.00092 303 4XY 0.01526 -0.00268 -0.02000 -0.00540 0.02654 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.23407 -0.04381 -0.04439 -0.14296 -0.02075 307 2S 0.87166 1.34810 0.15027 -0.14032 0.36412 308 31 H 1S -0.12838 -0.07940 0.15652 -0.10286 -0.14463 309 2S -0.20825 -0.26446 -0.12242 0.07891 -0.03490 310 32 H 1S -0.07652 -0.06004 0.06642 -0.11690 0.00000 311 2S 0.27382 0.21487 0.06869 -0.12088 -0.00000 312 33 H 1S -0.10765 -0.10580 0.00823 -0.18712 0.14463 313 2S -0.30639 -0.13939 -0.00514 0.14556 0.03490 314 34 H 1S -0.09823 -0.21693 0.14553 -0.03506 0.02076 315 2S 1.51671 0.52605 0.04369 -0.20091 -0.36412 126 127 128 129 130 (A')--V (E')--V (E')--V (A")--V (A')--V Eigenvalues -- 0.47083 0.47800 0.47800 0.48032 0.48255 1 1 C 1S -0.01195 0.00000 -0.00000 0.00000 -0.00351 2 2S 0.14893 0.00000 -0.00000 0.00000 -0.14678 3 2PX -0.00000 -0.00897 0.23390 0.00000 -0.00000 4 2PY 0.00000 0.23390 0.00897 0.00000 -0.00000 5 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 6 3S -0.40584 -0.00000 0.00000 0.00000 0.14864 7 3PX -0.00000 0.00265 -0.06907 0.00000 -0.00000 8 3PY -0.00000 -0.06907 -0.00265 0.00000 0.00000 9 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 10 4XX -0.01058 -0.00027 0.00717 0.00000 -0.02793 11 4YY -0.01058 0.00027 -0.00717 0.00000 -0.02793 12 4ZZ 0.01927 -0.00000 0.00000 0.00000 0.01543 13 4XY -0.00000 -0.00827 -0.00032 0.00000 -0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00310 -0.00040 0.01055 0.00000 -0.00430 17 2S -0.05079 -0.00301 0.07847 0.00000 -0.18048 18 2PX 0.06791 -0.00382 0.09974 0.00000 0.01327 19 2PY -0.00000 -0.09402 -0.00360 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 21 3S 0.70701 -0.01838 0.47954 0.00000 0.59259 22 3PX 0.03553 -0.01123 0.29325 0.00000 0.15240 23 3PY -0.00001 -0.13128 -0.00503 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX -0.00292 -0.00125 0.03271 0.00000 -0.02757 26 4YY 0.03297 -0.00133 0.03481 0.00000 -0.00181 27 4ZZ -0.01474 0.00080 -0.02093 0.00000 0.00094 28 4XY -0.00000 0.00905 0.00035 0.00000 -0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 -0.01015 0.00000 31 3 C 1S 0.00957 0.00560 0.01695 0.00000 -0.00963 32 2S -0.09377 -0.09460 -0.04634 0.00000 -0.02326 33 2PX -0.23975 -0.25145 -0.21104 0.00000 -0.04031 34 2PY -0.02719 0.00701 -0.04149 0.00000 0.01724 35 2PZ 0.00000 0.00000 0.00000 -0.19395 0.00000 36 3S -0.24993 -0.21088 -0.27932 0.00000 -0.32890 37 3PX 0.20487 -0.13068 0.08173 0.00000 0.05297 38 3PY 0.33814 -0.20098 0.44192 0.00000 0.17167 39 3PZ 0.00000 0.00000 0.00000 0.14929 0.00000 40 4XX 0.00642 0.00799 0.01917 0.00000 -0.02612 41 4YY -0.02322 -0.02174 -0.00589 0.00000 -0.01564 42 4ZZ 0.01054 0.00428 -0.00402 0.00000 0.01952 43 4XY 0.00949 -0.00381 0.00807 0.00000 -0.00195 44 4XZ 0.00000 0.00000 0.00000 -0.01989 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.01351 0.00000 46 4 C 1S -0.03819 -0.03638 -0.02959 0.00000 -0.01855 47 2S -0.16890 -0.08239 -0.23065 0.00000 0.16495 48 2PX -0.04884 -0.09361 -0.17496 0.00000 0.24865 49 2PY -0.06362 -0.02201 0.07018 0.00000 -0.24423 50 2PZ 0.00000 0.00000 0.00000 -0.38233 0.00000 51 3S 0.59331 0.04197 0.62031 0.00000 0.14049 52 3PX -0.05040 -0.42042 0.04900 0.00000 -0.40090 53 3PY -0.25028 0.21660 -0.32779 0.00000 -0.03175 54 3PZ 0.00000 0.00000 0.00000 0.44227 0.00000 55 4XX -0.04855 -0.05562 -0.05312 0.00000 0.01625 56 4YY -0.05293 -0.04097 -0.04474 0.00000 -0.00693 57 4ZZ 0.03674 0.03457 0.03083 0.00000 0.00640 58 4XY -0.01570 0.01255 -0.01958 0.00000 0.00672 59 4XZ 0.00000 0.00000 0.00000 0.01709 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.01989 0.00000 61 5 C 1S 0.01890 0.00049 -0.01267 0.00000 0.05985 62 2S -0.33131 0.01384 -0.36123 0.00000 0.15124 63 2PX 0.09585 -0.00147 0.03833 0.00000 0.07961 64 2PY -0.00000 -0.32840 -0.01259 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.15190 0.00156 -0.04076 0.00000 -0.48444 67 3PX 0.43490 -0.01294 0.33774 0.00000 0.32916 68 3PY 0.00001 0.92193 0.03534 0.00000 -0.00000 69 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 70 4XX -0.04367 0.00273 -0.07117 0.00000 0.05885 71 4YY -0.01296 0.00210 -0.05475 0.00000 0.08637 72 4ZZ 0.00715 -0.00130 0.03387 0.00000 -0.05344 73 4XY -0.00000 -0.01435 -0.00055 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 -0.02294 0.00000 76 6 C 1S -0.03819 0.03854 -0.02672 0.00000 -0.01855 77 2S -0.16890 0.09980 -0.22367 0.00000 0.16495 78 2PX -0.04884 0.10672 -0.16729 0.00000 0.24865 79 2PY 0.06362 -0.01657 -0.07165 0.00000 0.24423 80 2PZ 0.00000 0.00000 0.00000 0.38233 0.00000 81 3S 0.59330 -0.08932 0.61528 0.00000 0.14050 82 3PX -0.05039 0.41543 0.08104 0.00000 -0.40090 83 3PY 0.25029 0.19088 0.34341 0.00000 0.03175 84 3PZ 0.00000 0.00000 0.00000 -0.44227 0.00000 85 4XX -0.04855 0.05952 -0.04871 0.00000 0.01625 86 4YY -0.05293 0.04427 -0.04148 0.00000 -0.00693 87 4ZZ 0.03674 -0.03683 0.02809 0.00000 0.00640 88 4XY 0.01570 0.01101 0.02048 0.00000 -0.00672 89 4XZ 0.00000 0.00000 0.00000 -0.01709 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.01989 0.00000 91 7 C 1S 0.00957 -0.00688 0.01647 0.00000 -0.00963 92 2S -0.09377 0.09787 -0.03897 0.00000 -0.02326 93 2PX -0.23975 0.26686 -0.19118 0.00000 -0.04031 94 2PY 0.02719 0.00382 0.04191 0.00000 -0.01724 95 2PZ 0.00000 0.00000 0.00000 0.19395 0.00000 96 3S -0.24993 0.23164 -0.26236 0.00000 -0.32890 97 3PX 0.20487 0.12404 0.09150 0.00000 0.05296 98 3PY -0.33814 -0.16657 -0.45600 0.00000 -0.17167 99 3PZ 0.00000 0.00000 0.00000 -0.14930 0.00000 100 4XX 0.00642 -0.00944 0.01850 0.00000 -0.02612 101 4YY -0.02322 0.02213 -0.00420 0.00000 -0.01564 102 4ZZ 0.01054 -0.00396 -0.00434 0.00000 0.01952 103 4XY -0.00949 -0.00318 -0.00834 0.00000 0.00195 104 4XZ 0.00000 0.00000 0.00000 0.01989 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.01351 0.00000 106 8 H 1S -0.10657 0.03615 -0.03148 0.00000 -0.09072 107 2S -0.03674 -0.12944 -0.24283 0.00000 -0.02425 108 9 H 1S -0.23034 0.16313 -0.19123 0.00000 -0.03138 109 2S 0.16044 -0.01428 0.13674 0.00000 0.16187 110 10 H 1S -0.10854 0.00830 -0.21651 0.00000 0.24168 111 2S -0.23267 0.00552 -0.14399 0.00000 -0.19172 112 11 H 1S -0.23034 -0.14801 -0.20315 0.00000 -0.03137 113 2S 0.16044 0.00377 0.13743 0.00000 0.16187 114 12 H 1S -0.10657 -0.03363 -0.03415 0.00000 -0.09072 115 2S -0.03674 0.14763 -0.23222 0.00000 -0.02425 116 13 C 1S 0.00310 0.00934 -0.00492 0.00000 -0.00430 117 2S -0.05079 0.06946 -0.03663 0.00000 -0.18048 118 2PX -0.03395 -0.08215 -0.04880 0.00000 -0.00663 119 2PY 0.05881 0.05452 -0.08194 0.00000 0.01149 120 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 121 3S 0.70701 0.42448 -0.22385 0.00000 0.59259 122 3PX -0.01776 -0.18286 -0.03219 0.00000 -0.07620 123 3PY 0.03077 0.19416 -0.17666 0.00000 0.13198 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX 0.02399 0.02718 -0.02201 0.00000 -0.00825 126 4YY 0.00605 0.03259 -0.00951 0.00000 -0.02113 127 4ZZ -0.01474 -0.01853 0.00977 0.00000 0.00094 128 4XY 0.01795 0.00304 0.00351 0.00000 0.01288 129 4XZ 0.00000 0.00000 0.00000 0.00879 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00508 0.00000 131 14 C 1S 0.00957 0.01770 -0.00227 0.00000 -0.00963 132 2S -0.09377 -0.08268 -0.06527 0.00000 -0.02326 133 2PX 0.09633 0.11972 0.08877 0.00000 0.03508 134 2PY -0.22123 -0.27613 -0.10524 0.00000 -0.02629 135 2PZ 0.00000 0.00000 0.00000 0.19395 0.00000 136 3S -0.24993 -0.34303 -0.06942 0.00000 -0.32890 137 3PX 0.19040 0.26126 -0.24580 0.00000 0.12219 138 3PY 0.34650 0.17073 -0.31878 0.00000 0.13170 139 3PZ 0.00000 0.00000 0.00000 -0.14930 0.00000 140 4XX -0.02293 -0.01007 -0.00787 0.00000 -0.01680 141 4YY 0.00613 0.01610 -0.01027 0.00000 -0.02496 142 4ZZ 0.01054 -0.00178 0.00560 0.00000 0.01952 143 4XY -0.01007 -0.01491 -0.01146 0.00000 0.00426 144 4XZ 0.00000 0.00000 0.00000 -0.02165 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.01047 0.00000 146 15 C 1S -0.03819 -0.04241 -0.02002 0.00000 -0.01855 147 2S -0.16890 -0.24360 0.02541 0.00000 0.16495 148 2PX -0.03067 0.14568 -0.03907 0.00000 -0.33584 149 2PY -0.07411 -0.14479 -0.03270 0.00000 0.09323 150 2PZ 0.00000 0.00000 0.00000 0.38233 0.00000 151 3S 0.59330 0.57751 -0.23028 0.00000 0.14050 152 3PX -0.19156 -0.10614 0.49201 0.00000 0.17295 153 3PY -0.16878 -0.22009 -0.17816 0.00000 -0.36307 154 3PZ 0.00000 0.00000 0.00000 -0.44227 0.00000 155 4XX -0.04006 -0.05235 -0.03483 0.00000 -0.00618 156 4YY -0.06142 -0.07764 -0.00996 0.00000 0.01550 157 4ZZ 0.03674 0.04274 0.01785 0.00000 0.00640 158 4XY -0.01004 0.00083 0.01468 0.00000 -0.00823 159 4XZ 0.00000 0.00000 0.00000 -0.00868 0.00000 160 4YZ 0.00000 0.00000 0.00000 -0.02475 0.00000 161 16 C 1S 0.01890 -0.01121 0.00591 0.00000 0.05985 162 2S -0.33131 -0.31976 0.16863 0.00000 0.15124 163 2PX -0.04793 -0.14973 -0.24280 0.00000 -0.03980 164 2PY 0.08301 -0.04727 -0.16084 0.00000 0.06894 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.15190 -0.03608 0.01903 0.00000 -0.48444 167 3PX -0.21746 0.22322 0.78558 0.00000 -0.16458 168 3PY 0.37663 0.47409 0.27151 0.00000 0.28506 169 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 170 4XX -0.02064 -0.04708 0.03700 0.00000 0.07949 171 4YY -0.03600 -0.06439 0.02178 0.00000 0.06573 172 4ZZ 0.00715 0.02998 -0.01581 0.00000 -0.05344 173 4XY 0.01536 0.00392 -0.01018 0.00000 0.01376 174 4XZ 0.00000 0.00000 0.00000 0.01987 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.01147 0.00000 176 17 C 1S -0.03819 -0.00743 0.04630 0.00000 -0.01855 177 2S -0.16890 -0.15856 0.18667 0.00000 0.16495 178 2PX 0.07952 -0.00980 -0.07039 0.00000 0.08718 179 2PY -0.01049 -0.12658 0.15398 0.00000 0.33746 180 2PZ 0.00000 0.00000 0.00000 -0.38233 0.00000 181 3S 0.59331 0.51622 -0.34650 0.00000 0.14049 182 3PX 0.24195 0.21332 -0.14928 0.00000 0.22795 183 3PY 0.08150 0.41488 0.30594 0.00000 -0.33131 184 3PZ 0.00000 0.00000 0.00000 0.44227 0.00000 185 4XX -0.06362 -0.03567 0.06126 0.00000 0.00391 186 4YY -0.03787 -0.00079 0.07132 0.00000 0.00541 187 4ZZ 0.03674 0.00941 -0.04535 0.00000 0.00640 188 4XY 0.00566 0.01158 -0.00790 0.00000 -0.01495 189 4XZ 0.00000 0.00000 0.00000 -0.02577 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00485 0.00000 191 18 C 1S 0.00957 0.01187 -0.01333 0.00000 -0.00963 192 2S -0.09377 0.00716 0.10509 0.00000 -0.02326 193 2PX 0.14343 0.06268 -0.17435 0.00000 0.00523 194 2PY -0.19404 -0.02968 0.27263 0.00000 -0.04353 195 2PZ 0.00000 0.00000 0.00000 -0.19395 0.00000 196 3S -0.24993 -0.13646 0.32228 0.00000 -0.32890 197 3PX -0.39527 -0.48652 0.00447 0.00000 -0.17516 198 3PY 0.00835 -0.12372 0.08607 0.00000 -0.03996 199 3PZ 0.00000 0.00000 0.00000 0.14929 0.00000 200 4XX -0.00869 0.01416 0.01165 0.00000 -0.01973 201 4YY -0.00811 0.00422 -0.00639 0.00000 -0.02203 202 4ZZ 0.01054 -0.00562 -0.00170 0.00000 0.01952 203 4XY -0.01956 -0.00786 0.01951 0.00000 0.00622 204 4XZ 0.00000 0.00000 0.00000 -0.00175 0.00000 205 4YZ 0.00000 0.00000 0.00000 -0.02398 0.00000 206 19 H 1S -0.10657 -0.01276 0.04620 0.00000 -0.09072 207 2S -0.03674 -0.27492 -0.01175 0.00000 -0.02425 208 20 H 1S -0.23034 -0.10193 0.22976 0.00000 -0.03137 209 2S 0.16044 0.11713 -0.07198 0.00000 0.16187 210 21 H 1S -0.10854 -0.19165 0.10107 0.00000 0.24168 211 2S -0.23267 -0.12746 0.06722 0.00000 -0.19172 212 22 H 1S -0.23034 -0.24717 -0.04566 0.00000 -0.03138 213 2S 0.16044 0.12555 -0.05600 0.00000 0.16187 214 23 H 1S -0.10657 -0.04534 -0.01557 0.00000 -0.09072 215 2S -0.03674 -0.14558 0.23351 0.00000 -0.02425 216 24 C 1S 0.00310 -0.00893 -0.00562 0.00000 -0.00430 217 2S -0.05079 -0.06645 -0.04184 0.00000 -0.18048 218 2PX -0.03395 0.08565 -0.04236 0.00000 -0.00663 219 2PY -0.05881 0.04808 0.08587 0.00000 -0.01149 220 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 221 3S 0.70701 -0.40610 -0.25569 0.00000 0.59259 222 3PX -0.01777 0.18479 -0.01811 0.00000 -0.07620 223 3PY -0.03077 0.18007 0.19099 0.00000 -0.13198 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.02399 -0.02542 -0.02403 0.00000 -0.00825 226 4YY 0.00605 -0.03176 -0.01198 0.00000 -0.02113 227 4ZZ -0.01474 0.01773 0.01116 0.00000 0.00094 228 4XY -0.01795 0.00330 -0.00327 0.00000 -0.01288 229 4XZ 0.00000 0.00000 0.00000 -0.00879 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00508 0.00000 231 25 C 1S 0.00957 -0.01082 -0.01419 0.00000 -0.00963 232 2S -0.09377 -0.01519 0.10424 0.00000 -0.02326 233 2PX 0.14342 -0.04915 -0.17863 0.00000 0.00523 234 2PY 0.19403 -0.00873 -0.27410 0.00000 0.04353 235 2PZ 0.00000 0.00000 0.00000 0.19395 0.00000 236 3S -0.24993 0.11139 0.33178 0.00000 -0.32890 237 3PX -0.39528 0.48476 0.04169 0.00000 -0.17515 238 3PY -0.00835 -0.11676 -0.09528 0.00000 0.03997 239 3PZ 0.00000 0.00000 0.00000 -0.14930 0.00000 240 4XX -0.00869 -0.01501 0.01053 0.00000 -0.01973 241 4YY -0.00811 -0.00372 -0.00669 0.00000 -0.02203 242 4ZZ 0.01054 0.00573 -0.00126 0.00000 0.01952 243 4XY 0.01956 -0.00635 -0.02005 0.00000 -0.00622 244 4XZ 0.00000 0.00000 0.00000 0.00175 0.00000 245 4YZ 0.00000 0.00000 0.00000 -0.02398 0.00000 246 26 C 1S -0.03819 0.00387 0.04673 0.00000 -0.01855 247 2S -0.16890 0.14380 0.19826 0.00000 0.16495 248 2PX 0.07951 0.01516 -0.06944 0.00000 0.08718 249 2PY 0.01049 -0.11442 -0.16322 0.00000 -0.33746 250 2PZ 0.00000 0.00000 0.00000 0.38233 0.00000 251 3S 0.59330 -0.48819 -0.38500 0.00000 0.14050 252 3PX 0.24195 -0.20127 -0.16517 0.00000 0.22795 253 3PY -0.08151 0.43709 -0.27328 0.00000 0.33132 254 3PZ 0.00000 0.00000 0.00000 -0.44227 0.00000 255 4XX -0.06362 0.03088 0.06381 0.00000 0.00391 256 4YY -0.03787 -0.00467 0.07117 0.00000 0.00541 257 4ZZ 0.03674 -0.00591 -0.04594 0.00000 0.00640 258 4XY -0.00566 0.01094 0.00876 0.00000 0.01495 259 4XZ 0.00000 0.00000 0.00000 0.02577 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00485 0.00000 261 27 C 1S 0.01890 0.01073 0.00675 0.00000 0.05985 262 2S -0.33131 0.30592 0.19261 0.00000 0.15124 263 2PX -0.04793 0.16787 -0.23063 0.00000 -0.03980 264 2PY -0.08301 -0.05944 0.15675 0.00000 -0.06894 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.15190 0.03452 0.02173 0.00000 -0.48444 267 3PX -0.21745 -0.28270 0.76618 0.00000 -0.16458 268 3PY -0.37664 0.49348 -0.23442 0.00000 -0.28506 269 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 270 4XX -0.02064 0.04411 0.04050 0.00000 0.07949 271 4YY -0.03600 0.06254 0.02665 0.00000 0.06573 272 4ZZ 0.00715 -0.02869 -0.01806 0.00000 -0.05344 273 4XY -0.01536 0.00313 0.01045 0.00000 -0.01376 274 4XZ 0.00000 0.00000 0.00000 -0.01987 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.01147 0.00000 276 28 C 1S -0.03819 0.04381 -0.01671 0.00000 -0.01855 277 2S -0.16890 0.24094 0.04398 0.00000 0.16495 278 2PX -0.03067 -0.14227 -0.05010 0.00000 -0.33584 279 2PY 0.07411 -0.14687 0.02152 0.00000 -0.09323 280 2PZ 0.00000 0.00000 0.00000 -0.38233 0.00000 281 3S 0.59331 -0.55819 -0.27381 0.00000 0.14049 282 3PX -0.19155 0.06816 0.49868 0.00000 0.17295 283 3PY 0.16879 -0.23309 0.16079 0.00000 0.36307 284 3PZ 0.00000 0.00000 0.00000 0.44227 0.00000 285 4XX -0.04006 0.05487 -0.03072 0.00000 -0.00618 286 4YY -0.06143 0.07818 -0.00399 0.00000 0.01550 287 4ZZ 0.03674 -0.04398 0.01452 0.00000 0.00640 288 4XY 0.01004 0.00195 -0.01458 0.00000 0.00823 289 4XZ 0.00000 0.00000 0.00000 0.00868 0.00000 290 4YZ 0.00000 0.00000 0.00000 -0.02475 0.00000 291 29 C 1S 0.00957 -0.01748 -0.00362 0.00000 -0.00963 292 2S -0.09377 0.08743 -0.05875 0.00000 -0.02326 293 2PX 0.09633 -0.12616 0.07935 0.00000 0.03508 294 2PY 0.22123 -0.28337 0.08379 0.00000 0.02629 295 2PZ 0.00000 0.00000 0.00000 -0.19395 0.00000 296 3S -0.24993 0.34733 -0.04297 0.00000 -0.32890 297 3PX 0.19040 -0.24169 -0.26507 0.00000 0.12219 298 3PY -0.34649 0.14582 0.33090 0.00000 -0.13171 299 3PZ 0.00000 0.00000 0.00000 0.14929 0.00000 300 4XX -0.02293 0.01064 -0.00708 0.00000 -0.01680 301 4YY 0.00613 -0.01527 -0.01147 0.00000 -0.02496 302 4ZZ 0.01054 0.00134 0.00572 0.00000 0.01952 303 4XY 0.01007 -0.01574 0.01028 0.00000 -0.00426 304 4XZ 0.00000 0.00000 0.00000 0.02165 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.01047 0.00000 306 30 H 1S -0.10657 0.04639 -0.01205 0.00000 -0.09072 307 2S -0.03674 0.12729 0.24396 0.00000 -0.02425 308 31 H 1S -0.23034 0.24994 -0.02661 0.00000 -0.03137 309 2S 0.16044 -0.12090 -0.06545 0.00000 0.16187 310 32 H 1S -0.10854 0.18336 0.11544 0.00000 0.24168 311 2S -0.23267 0.12194 0.07677 0.00000 -0.19172 312 33 H 1S -0.23034 0.08404 0.23689 0.00000 -0.03138 313 2S 0.16044 -0.11128 -0.08073 0.00000 0.16187 314 34 H 1S -0.10657 0.00918 0.04705 0.00000 -0.09072 315 2S -0.03674 0.27502 0.00932 0.00000 -0.02425 131 132 133 134 135 (E')--V (E')--V (E")--V (E")--V (A")--V Eigenvalues -- 0.48928 0.48928 0.48979 0.48979 0.50533 1 1 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 3 2PX 0.00039 -0.04549 0.00000 0.00000 0.00000 4 2PY -0.04549 -0.00039 0.00000 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.41018 6 3S -0.00000 0.00000 0.00000 0.00000 0.00000 7 3PX 0.00124 -0.14328 0.00000 0.00000 0.00000 8 3PY -0.14328 -0.00124 0.00000 0.00000 0.00000 9 3PZ 0.00000 0.00000 -0.00000 0.00000 0.24729 10 4XX 0.00010 -0.01152 0.00000 0.00000 0.00000 11 4YY -0.00010 0.01152 0.00000 0.00000 0.00000 12 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 4XY 0.01331 0.00012 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 -0.00033 0.00548 -0.00000 15 4YZ 0.00000 0.00000 -0.00548 -0.00033 -0.00000 16 2 C 1S 0.00023 -0.02695 0.00000 0.00000 0.00000 17 2S 0.00173 -0.19962 0.00000 0.00000 0.00000 18 2PX -0.00069 0.08031 0.00000 0.00000 0.00000 19 2PY -0.19407 -0.00168 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.01600 -0.26723 -0.21827 21 3S -0.00841 0.97138 0.00000 0.00000 0.00000 22 3PX -0.00294 0.33942 0.00000 0.00000 0.00000 23 3PY 0.81761 0.00708 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 -0.01501 0.25061 0.40840 25 4XX 0.00025 -0.02896 0.00000 0.00000 0.00000 26 4YY 0.00038 -0.04383 0.00000 0.00000 0.00000 27 4ZZ -0.00015 0.01742 0.00000 0.00000 0.00000 28 4XY -0.00130 -0.00001 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00098 -0.01635 0.01623 30 4YZ 0.00000 0.00000 -0.01245 -0.00075 -0.00000 31 3 C 1S -0.02168 0.00123 0.00000 0.00000 0.00000 32 2S -0.22540 -0.10475 0.00000 0.00000 0.00000 33 2PX -0.10046 0.02802 0.00000 0.00000 0.00000 34 2PY 0.01603 0.17698 0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00000 -0.06637 -0.20694 0.26851 36 3S 0.21439 -0.30139 0.00000 0.00000 0.00000 37 3PX 0.75533 -0.06580 0.00000 0.00000 0.00000 38 3PY 0.10193 0.33359 0.00000 0.00000 0.00000 39 3PZ 0.00000 0.00000 -0.03512 0.19182 -0.40789 40 4XX -0.04172 -0.03719 0.00000 0.00000 0.00000 41 4YY -0.04653 0.00073 0.00000 0.00000 0.00000 42 4ZZ 0.02683 0.00780 0.00000 0.00000 0.00000 43 4XY -0.00095 -0.00807 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 -0.01852 0.00312 0.00726 45 4YZ 0.00000 0.00000 0.00946 0.01281 -0.00456 46 4 C 1S -0.02396 -0.01255 0.00000 0.00000 0.00000 47 2S -0.21022 0.12247 0.00000 0.00000 0.00000 48 2PX 0.16118 0.19837 0.00000 0.00000 0.00000 49 2PY -0.08674 -0.12855 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 -0.47603 0.04031 0.04169 51 3S -0.01918 0.29502 0.00000 0.00000 0.00000 52 3PX 0.34184 -0.38294 0.00000 0.00000 0.00000 53 3PY -0.04391 -0.35135 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.59584 0.00375 -0.06035 55 4XX -0.04723 0.01429 0.00000 0.00000 0.00000 56 4YY -0.06048 0.01343 0.00000 0.00000 0.00000 57 4ZZ 0.03241 -0.00313 0.00000 0.00000 0.00000 58 4XY 0.00676 0.01324 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.01311 0.01077 -0.01366 60 4YZ 0.00000 0.00000 0.02372 -0.01707 0.01273 61 5 C 1S -0.00042 0.04862 0.00000 0.00000 0.00000 62 2S -0.00134 0.15529 0.00000 0.00000 0.00000 63 2PX -0.00061 0.07002 0.00000 0.00000 0.00000 64 2PY -0.34360 -0.00297 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 -0.02126 0.35507 -0.36984 66 3S 0.00686 -0.79229 0.00000 0.00000 0.00000 67 3PX -0.00383 0.44268 0.00000 0.00000 0.00000 68 3PY -0.04365 -0.00038 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.02596 -0.43360 0.49614 70 4XX -0.00059 0.06796 0.00000 0.00000 0.00000 71 4YY -0.00040 0.04587 0.00000 0.00000 0.00000 72 4ZZ 0.00036 -0.04207 0.00000 0.00000 0.00000 73 4XY -0.02743 -0.00024 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00148 -0.02477 0.02047 75 4YZ 0.00000 0.00000 -0.02796 -0.00167 0.00000 76 6 C 1S 0.02418 -0.01214 0.00000 0.00000 0.00000 77 2S 0.20807 0.12609 0.00000 0.00000 0.00000 78 2PX -0.16459 0.19555 0.00000 0.00000 0.00000 79 2PY -0.08895 0.12703 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.46781 0.09684 0.04168 81 3S 0.01407 0.29531 0.00000 0.00000 0.00000 82 3PX -0.33516 -0.38880 0.00000 0.00000 0.00000 83 3PY -0.04998 0.35054 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 -0.59202 -0.06739 -0.06034 85 4XX 0.04697 0.01511 0.00000 0.00000 0.00000 86 4YY 0.06024 0.01448 0.00000 0.00000 0.00000 87 4ZZ -0.03236 -0.00369 0.00000 0.00000 0.00000 88 4XY 0.00699 -0.01312 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 -0.01430 0.00913 -0.01366 90 4YZ 0.00000 0.00000 0.02152 0.01978 -0.01273 91 7 C 1S 0.02166 0.00161 0.00000 0.00000 0.00000 92 2S 0.22718 -0.10083 0.00000 0.00000 0.00000 93 2PX 0.09996 0.02975 0.00000 0.00000 0.00000 94 2PY 0.01909 -0.17668 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.09059 -0.19754 0.26851 96 3S -0.20914 -0.30506 0.00000 0.00000 0.00000 97 3PX -0.75408 -0.07887 0.00000 0.00000 0.00000 98 3PY 0.10768 -0.33177 0.00000 0.00000 0.00000 99 3PZ 0.00000 0.00000 0.01198 0.19464 -0.40790 100 4XX 0.04236 -0.03646 0.00000 0.00000 0.00000 101 4YY 0.04651 0.00153 0.00000 0.00000 0.00000 102 4ZZ -0.02696 0.00733 0.00000 0.00000 0.00000 103 4XY -0.00109 0.00805 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.01802 0.00530 0.00726 105 4YZ 0.00000 0.00000 0.01092 -0.01159 0.00456 106 8 H 1S 0.15786 -0.01084 0.00000 0.00000 0.00000 107 2S -0.26703 -0.44990 0.00000 0.00000 0.00000 108 9 H 1S 0.17574 0.06803 0.00000 0.00000 0.00000 109 2S 0.05841 0.24233 0.00000 0.00000 0.00000 110 10 H 1S -0.00235 0.27180 0.00000 0.00000 0.00000 111 2S 0.00228 -0.26339 0.00000 0.00000 0.00000 112 11 H 1S -0.17690 0.06498 0.00000 0.00000 0.00000 113 2S -0.06259 0.24128 0.00000 0.00000 0.00000 114 12 H 1S -0.15765 -0.01357 0.00000 0.00000 0.00000 115 2S 0.27477 -0.44521 0.00000 0.00000 0.00000 116 13 C 1S -0.02345 0.01327 0.00000 0.00000 0.00000 117 2S -0.17374 0.09831 0.00000 0.00000 0.00000 118 2PX -0.11772 -0.12650 0.00000 0.00000 0.00000 119 2PY 0.01274 -0.11871 0.00000 0.00000 0.00000 120 2PZ 0.00000 0.00000 0.22342 0.14747 -0.21827 121 3S 0.84545 -0.47841 0.00000 0.00000 0.00000 122 3PX 0.20101 0.69986 0.00000 0.00000 0.00000 123 3PY 0.45717 0.21103 0.00000 0.00000 0.00000 124 3PZ 0.00000 0.00000 -0.20953 -0.13830 0.40840 125 4XX -0.03443 0.02060 0.00000 0.00000 0.00000 126 4YY -0.02892 0.01525 0.00000 0.00000 0.00000 127 4ZZ 0.01516 -0.00858 0.00000 0.00000 0.00000 128 4XY -0.00679 0.00310 0.00000 0.00000 0.00000 129 4XZ 0.00000 0.00000 -0.01279 0.00450 -0.00811 130 4YZ 0.00000 0.00000 0.00841 0.01302 0.01405 131 14 C 1S -0.00944 -0.01956 0.00000 0.00000 0.00000 132 2S -0.20091 -0.14633 0.00000 0.00000 0.00000 133 2PX 0.15288 -0.01147 0.00000 0.00000 0.00000 134 2PY 0.06031 -0.12375 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.12578 0.17722 0.26851 136 3S -0.15962 0.33365 0.00000 0.00000 0.00000 137 3PX 0.14109 -0.40914 0.00000 0.00000 0.00000 138 3PY 0.43795 0.56340 0.00000 0.00000 0.00000 139 3PZ 0.00000 0.00000 -0.17455 -0.08695 -0.40790 140 4XX -0.02400 -0.03771 0.00000 0.00000 0.00000 141 4YY -0.05069 -0.02179 0.00000 0.00000 0.00000 142 4ZZ 0.01983 0.01968 0.00000 0.00000 0.00000 143 4XY 0.01165 -0.00976 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00283 -0.01969 -0.00758 145 4YZ 0.00000 0.00000 -0.01407 0.00359 0.00401 146 15 C 1S -0.02260 -0.01487 0.00000 0.00000 0.00000 147 2S 0.00516 -0.24324 0.00000 0.00000 0.00000 148 2PX -0.25961 -0.03409 0.00000 0.00000 0.00000 149 2PY 0.14069 0.03201 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 -0.31778 0.35672 0.04168 151 3S 0.24871 -0.15984 0.00000 0.00000 0.00000 152 3PX -0.19998 -0.12803 0.00000 0.00000 0.00000 153 3PY -0.31076 0.48572 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.35438 -0.47901 -0.06034 155 4XX -0.02693 -0.05624 0.00000 0.00000 0.00000 156 4YY -0.00105 -0.05140 0.00000 0.00000 0.00000 157 4ZZ 0.01298 0.02986 0.00000 0.00000 0.00000 158 4XY 0.00384 -0.00584 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.02453 0.00090 0.01786 160 4YZ 0.00000 0.00000 0.01329 -0.01905 -0.00546 161 16 C 1S 0.04232 -0.02395 0.00000 0.00000 0.00000 162 2S 0.13516 -0.07648 0.00000 0.00000 0.00000 163 2PX -0.17702 -0.24174 0.00000 0.00000 0.00000 164 2PY -0.03183 -0.17939 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 -0.29687 -0.19595 -0.36984 166 3S -0.68957 0.39021 0.00000 0.00000 0.00000 167 3PX -0.21126 0.07611 0.00000 0.00000 0.00000 168 3PY 0.32292 -0.20781 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.36253 0.23928 0.49614 170 4XX 0.05486 -0.00740 0.00000 0.00000 0.00000 171 4YY 0.04421 -0.04866 0.00000 0.00000 0.00000 172 4ZZ -0.03662 0.02072 0.00000 0.00000 0.00000 173 4XY -0.01637 -0.00650 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 -0.02372 0.01341 -0.01024 175 4YZ 0.00000 0.00000 0.01022 0.02352 0.01773 176 17 C 1S 0.00111 0.02703 0.00000 0.00000 0.00000 177 2S 0.21117 0.12083 0.00000 0.00000 0.00000 178 2PX 0.01325 -0.00133 0.00000 0.00000 0.00000 179 2PY 0.11296 -0.27648 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.20310 -0.43241 0.04169 181 3S 0.26508 -0.13090 0.00000 0.00000 0.00000 182 3PX 0.49578 -0.13279 0.00000 0.00000 0.00000 183 3PY -0.29406 -0.19741 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 -0.30117 0.51413 -0.06035 185 4XX 0.04646 0.03333 0.00000 0.00000 0.00000 186 4YY 0.03140 0.04609 0.00000 0.00000 0.00000 187 4ZZ -0.01891 -0.02651 0.00000 0.00000 0.00000 188 4XY -0.00110 0.01219 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00541 -0.02817 -0.00420 190 4YZ 0.00000 0.00000 -0.01522 -0.00937 -0.01819 191 18 C 1S 0.01191 0.01816 0.00000 0.00000 0.00000 192 2S 0.02199 0.24757 0.00000 0.00000 0.00000 193 2PX -0.16304 0.05216 0.00000 0.00000 0.00000 194 2PY -0.00811 0.11440 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.21240 0.04599 0.26851 196 3S -0.36821 -0.03497 0.00000 0.00000 0.00000 197 3PX 0.01126 0.53151 0.00000 0.00000 0.00000 198 3PY -0.49538 -0.41047 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 -0.14856 -0.12632 -0.40789 200 4XX 0.01020 0.04728 0.00000 0.00000 0.00000 201 4YY 0.00235 0.04738 0.00000 0.00000 0.00000 202 4ZZ -0.00666 -0.02713 0.00000 0.00000 0.00000 203 4XY 0.02087 -0.00982 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.01042 0.00726 0.00032 205 4YZ 0.00000 0.00000 0.01360 -0.01613 0.00857 206 19 H 1S 0.06707 0.14332 0.00000 0.00000 0.00000 207 2S -0.52295 -0.01536 0.00000 0.00000 0.00000 208 20 H 1S 0.14472 0.12071 0.00000 0.00000 0.00000 209 2S 0.24025 -0.06643 0.00000 0.00000 0.00000 210 21 H 1S 0.23656 -0.13386 0.00000 0.00000 0.00000 211 2S -0.22925 0.12972 0.00000 0.00000 0.00000 212 22 H 1S -0.02895 -0.18622 0.00000 0.00000 0.00000 213 2S 0.18066 -0.17175 0.00000 0.00000 0.00000 214 23 H 1S -0.08832 -0.13129 0.00000 0.00000 0.00000 215 2S -0.25611 0.45620 0.00000 0.00000 0.00000 216 24 C 1S 0.02322 0.01367 0.00000 0.00000 0.00000 217 2S 0.17201 0.10130 0.00000 0.00000 0.00000 218 2PX 0.11990 -0.12445 0.00000 0.00000 0.00000 219 2PY 0.01069 0.11891 0.00000 0.00000 0.00000 220 2PZ 0.00000 0.00000 -0.23943 0.11975 -0.21827 221 3S -0.83704 -0.49297 0.00000 0.00000 0.00000 222 3PX -0.21311 0.69626 0.00000 0.00000 0.00000 223 3PY 0.46076 -0.20309 0.00000 0.00000 0.00000 224 3PZ 0.00000 0.00000 0.22454 -0.11231 0.40840 225 4XX 0.03407 0.02119 0.00000 0.00000 0.00000 226 4YY 0.02865 0.01575 0.00000 0.00000 0.00000 227 4ZZ -0.01501 -0.00884 0.00000 0.00000 0.00000 228 4XY -0.00673 -0.00321 0.00000 0.00000 0.00000 229 4XZ 0.00000 0.00000 0.01216 0.00599 -0.00811 230 4YZ 0.00000 0.00000 0.00990 -0.01192 -0.01405 231 25 C 1S -0.01222 0.01795 0.00000 0.00000 0.00000 232 2S -0.02627 0.24715 0.00000 0.00000 0.00000 233 2PX 0.16212 0.05498 0.00000 0.00000 0.00000 234 2PY -0.00613 -0.11452 0.00000 0.00000 0.00000 235 2PZ 0.00000 0.00000 -0.21637 0.02032 0.26851 236 3S 0.36876 -0.02859 0.00000 0.00000 0.00000 237 3PX -0.02047 0.53123 0.00000 0.00000 0.00000 238 3PY -0.50242 0.40183 0.00000 0.00000 0.00000 239 3PZ 0.00000 0.00000 0.16258 -0.10769 -0.40790 240 4XX -0.01102 0.04710 0.00000 0.00000 0.00000 241 4YY -0.00317 0.04733 0.00000 0.00000 0.00000 242 4ZZ 0.00713 -0.02701 0.00000 0.00000 0.00000 243 4XY 0.02070 0.01018 0.00000 0.00000 0.00000 244 4XZ 0.00000 0.00000 -0.01122 0.00596 0.00032 245 4YZ 0.00000 0.00000 0.01157 0.01764 -0.00857 246 26 C 1S -0.00158 0.02701 0.00000 0.00000 0.00000 247 2S -0.21323 0.11715 0.00000 0.00000 0.00000 248 2PX -0.01322 -0.00156 0.00000 0.00000 0.00000 249 2PY 0.10816 0.27839 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 -0.15004 -0.45356 0.04168 251 3S -0.26278 -0.13547 0.00000 0.00000 0.00000 252 3PX -0.49341 -0.14135 0.00000 0.00000 0.00000 253 3PY -0.29744 0.19229 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.23765 0.54640 -0.06034 255 4XX -0.04703 0.03252 0.00000 0.00000 0.00000 256 4YY -0.03219 0.04554 0.00000 0.00000 0.00000 257 4ZZ 0.01937 -0.02618 0.00000 0.00000 0.00000 258 4XY -0.00089 -0.01221 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 -0.00201 -0.02861 -0.00420 260 4YZ 0.00000 0.00000 -0.01623 0.00749 0.01819 261 27 C 1S -0.04190 -0.02468 0.00000 0.00000 0.00000 262 2S -0.13382 -0.07881 0.00000 0.00000 0.00000 263 2PX 0.18118 -0.23864 0.00000 0.00000 0.00000 264 2PY -0.03493 0.17881 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.31813 -0.15912 -0.36984 266 3S 0.68272 0.40208 0.00000 0.00000 0.00000 267 3PX 0.20992 0.07975 0.00000 0.00000 0.00000 268 3PY 0.31927 0.21337 0.00000 0.00000 0.00000 269 3PZ 0.00000 0.00000 -0.38849 0.19432 0.49614 270 4XX -0.05473 -0.00835 0.00000 0.00000 0.00000 271 4YY -0.04336 -0.04942 0.00000 0.00000 0.00000 272 4ZZ 0.03625 0.02135 0.00000 0.00000 0.00000 273 4XY -0.01648 0.00621 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.02195 0.01614 -0.01024 275 4YZ 0.00000 0.00000 0.01296 -0.02214 -0.01773 276 28 C 1S 0.02285 -0.01448 0.00000 0.00000 0.00000 277 2S -0.00095 -0.24329 0.00000 0.00000 0.00000 278 2PX 0.26016 -0.02959 0.00000 0.00000 0.00000 279 2PY 0.14123 -0.02957 0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.27293 0.39209 0.04169 281 3S -0.24590 -0.16412 0.00000 0.00000 0.00000 282 3PX 0.20217 -0.12454 0.00000 0.00000 0.00000 283 3PY -0.30230 -0.49102 0.00000 0.00000 0.00000 284 3PZ 0.00000 0.00000 -0.29467 -0.51789 -0.06035 285 4XX 0.02790 -0.05576 0.00000 0.00000 0.00000 286 4YY 0.00194 -0.05138 0.00000 0.00000 0.00000 287 4ZZ -0.01350 0.02963 0.00000 0.00000 0.00000 288 4XY 0.00374 0.00590 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 -0.02447 -0.00203 0.01786 290 4YZ 0.00000 0.00000 0.01092 0.02050 0.00546 291 29 C 1S 0.00978 -0.01940 0.00000 0.00000 0.00000 292 2S 0.20341 -0.14283 0.00000 0.00000 0.00000 293 2PX -0.15266 -0.01411 0.00000 0.00000 0.00000 294 2PY 0.05816 0.12478 0.00000 0.00000 0.00000 295 2PZ 0.00000 0.00000 -0.14603 0.16094 0.26851 296 3S 0.15382 0.33636 0.00000 0.00000 0.00000 297 3PX -0.13399 -0.41152 0.00000 0.00000 0.00000 298 3PY 0.44765 -0.55572 0.00000 0.00000 0.00000 299 3PZ 0.00000 0.00000 0.18368 -0.06550 -0.40789 300 4XX 0.02465 -0.03729 0.00000 0.00000 0.00000 301 4YY 0.05106 -0.02091 0.00000 0.00000 0.00000 302 4ZZ -0.02017 0.01933 0.00000 0.00000 0.00000 303 4XY 0.01148 0.00996 0.00000 0.00000 0.00000 304 4XZ 0.00000 0.00000 -0.00046 -0.01988 -0.00758 305 4YZ 0.00000 0.00000 -0.01354 -0.00525 -0.00401 306 30 H 1S 0.09058 -0.12974 0.00000 0.00000 0.00000 307 2S 0.24818 0.46057 0.00000 0.00000 0.00000 308 31 H 1S 0.03217 -0.18569 0.00000 0.00000 0.00000 309 2S -0.17766 -0.17485 0.00000 0.00000 0.00000 310 32 H 1S -0.23421 -0.13794 0.00000 0.00000 0.00000 311 2S 0.22697 0.13367 0.00000 0.00000 0.00000 312 33 H 1S -0.14679 0.11818 0.00000 0.00000 0.00000 313 2S -0.23907 -0.07058 0.00000 0.00000 0.00000 314 34 H 1S -0.06954 0.14213 0.00000 0.00000 0.00000 315 2S 0.52314 -0.00631 0.00000 0.00000 0.00000 136 137 138 139 140 (E")--V (E")--V (E')--V (E')--V (A')--V Eigenvalues -- 0.52787 0.52787 0.55991 0.55991 0.56719 1 1 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 2 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 3 2PX 0.00000 -0.00000 0.00434 0.19642 0.00000 4 2PY 0.00000 -0.00000 -0.19642 0.00434 0.00000 5 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 7 3PX 0.00000 -0.00000 0.02466 1.11661 -0.00000 8 3PY 0.00000 -0.00000 -1.11661 0.02466 0.00000 9 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00000 -0.00000 -0.00012 -0.00550 -0.00000 11 4YY 0.00000 -0.00000 0.00012 0.00550 -0.00000 12 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 13 4XY 0.00000 -0.00000 -0.00635 0.00014 -0.00000 14 4XZ -0.00223 0.01539 0.00000 0.00000 0.00000 15 4YZ -0.01539 -0.00223 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00000 -0.00023 -0.01046 -0.00000 17 2S 0.00000 -0.00000 -0.00660 -0.29901 -0.00000 18 2PX 0.00000 -0.00000 0.00191 0.08630 0.00000 19 2PY 0.00000 -0.00000 -0.01816 0.00040 0.00799 20 2PZ -0.00123 0.00854 0.00000 0.00000 0.00000 21 3S 0.00000 -0.00000 0.02958 1.33945 0.00000 22 3PX 0.00000 -0.00000 0.03992 1.80753 0.00000 23 3PY 0.00000 -0.00000 1.05643 -0.02333 -0.67076 24 3PZ -0.01199 0.08290 0.00000 0.00000 0.00000 25 4XX 0.00000 -0.00000 -0.00045 -0.02050 -0.00000 26 4YY 0.00000 -0.00000 -0.00062 -0.02828 -0.00000 27 4ZZ 0.00000 -0.00000 0.00026 0.01160 0.00000 28 4XY 0.00000 -0.00000 -0.00539 0.00012 0.01119 29 4XZ -0.00002 0.00011 0.00000 0.00000 0.00000 30 4YZ 0.00098 0.00014 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 -0.00000 -0.02800 -0.02106 0.03471 32 2S 0.00000 -0.00000 -0.14721 -0.18207 0.20247 33 2PX 0.00000 -0.00000 0.04935 -0.05439 -0.04328 34 2PY 0.00000 -0.00000 0.11717 0.10676 -0.11078 35 2PZ 0.21546 0.25680 0.00000 0.00000 0.00000 36 3S 0.00000 -0.00000 0.44316 -0.47986 -0.66542 37 3PX 0.00000 -0.00000 0.63221 -0.32720 -0.53400 38 3PY 0.00000 -0.00000 0.67254 1.43234 -0.54222 39 3PZ -0.40256 -0.27322 0.00000 0.00000 0.00000 40 4XX 0.00000 -0.00000 -0.04335 -0.06781 0.05976 41 4YY 0.00000 -0.00000 -0.04757 -0.05459 0.05451 42 4ZZ 0.00000 -0.00000 0.03147 0.04556 -0.03964 43 4XY 0.00000 -0.00000 0.02546 0.02279 -0.03352 44 4XZ -0.00474 0.00317 0.00000 0.00000 0.00000 45 4YZ -0.00640 -0.00448 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00000 -0.00377 -0.02379 0.00656 47 2S 0.00000 -0.00000 -0.14570 -0.09695 0.22981 48 2PX 0.00000 -0.00000 0.19778 0.26267 -0.25739 49 2PY 0.00000 -0.00000 -0.01506 -0.11876 0.02692 50 2PZ -0.34443 0.12829 0.00000 0.00000 0.00000 51 3S 0.00000 -0.00000 0.07019 0.93633 -0.17013 52 3PX 0.00000 -0.00000 0.41646 -0.79698 -0.29998 53 3PY 0.00000 -0.00000 -0.46781 -0.62920 0.39338 54 3PZ 0.56001 -0.28304 0.00000 0.00000 0.00000 55 4XX 0.00000 -0.00000 -0.00578 -0.00787 0.01524 56 4YY 0.00000 -0.00000 -0.03743 -0.03422 0.05308 57 4ZZ 0.00000 -0.00000 0.01195 0.02293 -0.01768 58 4XY 0.00000 -0.00000 -0.02547 -0.03007 0.03042 59 4XZ 0.00061 -0.01315 0.00000 0.00000 0.00000 60 4YZ 0.00914 0.01909 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00000 0.00089 0.04012 -0.00000 62 2S 0.00000 -0.00000 0.00112 0.05093 0.00000 63 2PX 0.00000 -0.00000 -0.00046 -0.02079 -0.00000 64 2PY 0.00000 -0.00000 -0.03678 0.00081 0.06737 65 2PZ 0.07665 -0.53015 0.00000 0.00000 0.00000 66 3S 0.00000 -0.00000 -0.01903 -0.86156 -0.00000 67 3PX 0.00000 -0.00000 0.01949 0.88269 0.00000 68 3PY 0.00000 -0.00000 -0.73482 0.01623 0.65853 69 3PZ -0.12307 0.85117 0.00000 0.00000 0.00000 70 4XX 0.00000 -0.00000 0.00011 0.00505 0.00000 71 4YY 0.00000 -0.00000 0.00124 0.05630 0.00000 72 4ZZ 0.00000 -0.00000 -0.00052 -0.02346 0.00000 73 4XY 0.00000 -0.00000 -0.00738 0.00016 0.01194 74 4XZ -0.00336 0.02326 0.00000 0.00000 0.00000 75 4YZ -0.01535 -0.00222 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00000 0.00272 -0.02394 -0.00656 77 2S 0.00000 -0.00000 0.14128 -0.10328 -0.22980 78 2PX 0.00000 -0.00000 -0.18600 0.27115 0.25739 79 2PY 0.00000 -0.00000 -0.00981 0.11931 0.02692 80 2PZ 0.29398 0.22061 0.00000 0.00000 0.00000 81 3S 0.00000 -0.00000 -0.02878 0.93851 0.17013 82 3PX 0.00000 -0.00000 -0.45124 -0.77782 0.29998 83 3PY 0.00000 -0.00000 -0.43958 0.64924 0.39338 84 3PZ -0.45689 -0.43009 0.00000 0.00000 0.00000 85 4XX 0.00000 -0.00000 0.00542 -0.00811 -0.01524 86 4YY 0.00000 -0.00000 0.03588 -0.03584 -0.05308 87 4ZZ 0.00000 -0.00000 -0.01093 0.02344 0.01768 88 4XY 0.00000 -0.00000 -0.02412 0.03117 0.03042 89 4XZ 0.00314 -0.01278 0.00000 0.00000 0.00000 90 4YZ 0.01417 -0.01572 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 -0.00000 0.02704 -0.02228 -0.03471 92 2S 0.00000 -0.00000 0.13903 -0.18839 -0.20247 93 2PX 0.00000 -0.00000 -0.05170 -0.05216 0.04328 94 2PY 0.00000 -0.00000 0.11235 -0.11183 -0.11078 95 2PZ -0.27938 0.18524 0.00000 0.00000 0.00000 96 3S 0.00000 -0.00000 -0.46391 -0.45983 0.66542 97 3PX 0.00000 -0.00000 -0.64605 -0.29897 0.53401 98 3PY 0.00000 -0.00000 0.60866 -1.46063 -0.54222 99 3PZ 0.46347 -0.14799 0.00000 0.00000 0.00000 100 4XX 0.00000 -0.00000 0.04031 -0.06966 -0.05976 101 4YY 0.00000 -0.00000 0.04511 -0.05664 -0.05451 102 4ZZ 0.00000 -0.00000 -0.02942 0.04691 0.03964 103 4XY 0.00000 -0.00000 0.02443 -0.02389 -0.03352 104 4XZ 0.00365 0.00438 0.00000 0.00000 0.00000 105 4YZ -0.00741 0.00249 0.00000 0.00000 0.00000 106 8 H 1S 0.00000 -0.00000 0.19554 -0.22886 -0.22596 107 2S 0.00000 -0.00000 0.64892 -1.64655 -0.65423 108 9 H 1S 0.00000 -0.00000 0.10458 -0.18439 -0.15588 109 2S 0.00000 -0.00000 -0.20779 0.58471 0.23765 110 10 H 1S 0.00000 -0.00000 0.00275 0.12459 -0.00000 111 2S 0.00000 -0.00000 -0.00774 -0.35051 -0.00000 112 11 H 1S 0.00000 -0.00000 -0.11262 -0.17960 0.15588 113 2S 0.00000 -0.00000 0.23340 0.57496 -0.23765 114 12 H 1S 0.00000 -0.00000 -0.20546 -0.22000 0.22596 115 2S 0.00000 -0.00000 -0.72097 -1.61630 0.65423 116 13 C 1S 0.00000 -0.00000 0.00917 0.00503 -0.00000 117 2S 0.00000 -0.00000 0.26225 0.14379 -0.00000 118 2PX 0.00000 -0.00000 0.03028 0.03454 -0.00692 119 2PY 0.00000 -0.00000 -0.06991 -0.02797 -0.00400 120 2PZ -0.00678 -0.00534 0.00000 0.00000 0.00000 121 3S 0.00000 -0.00000 -1.17479 -0.64411 0.00000 122 3PX 0.00000 -0.00000 1.23261 -0.36782 0.58090 123 3PY 0.00000 -0.00000 -1.11893 -1.21603 0.33538 124 3PZ -0.06580 -0.05184 0.00000 0.00000 0.00000 125 4XX 0.00000 -0.00000 0.02504 0.00912 0.00839 126 4YY 0.00000 -0.00000 0.01774 0.01434 -0.00839 127 4ZZ 0.00000 -0.00000 -0.01017 -0.00558 0.00000 128 4XY 0.00000 -0.00000 0.00212 0.00423 -0.00560 129 4XZ 0.00057 -0.00064 0.00000 0.00000 0.00000 130 4YZ 0.00023 -0.00045 0.00000 0.00000 0.00000 131 14 C 1S 0.00000 -0.00000 0.00577 0.03456 -0.03471 132 2S 0.00000 -0.00000 0.09363 0.21460 -0.20247 133 2PX 0.00000 -0.00000 -0.07074 -0.12334 0.07429 134 2PY 0.00000 -0.00000 0.04117 -0.09280 0.09287 135 2PZ -0.02074 -0.33457 0.00000 0.00000 0.00000 136 3S 0.00000 -0.00000 0.63018 -0.17185 0.66542 137 3PX 0.00000 -0.00000 -1.12289 -0.88396 0.20257 138 3PY 0.00000 -0.00000 0.02367 -0.98379 0.73357 139 3PZ -0.10357 0.47537 0.00000 0.00000 0.00000 140 4XX 0.00000 -0.00000 0.03627 0.09280 -0.08096 141 4YY 0.00000 -0.00000 0.03040 0.04433 -0.03331 142 4ZZ 0.00000 -0.00000 -0.02591 -0.04894 0.03964 143 4XY 0.00000 -0.00000 -0.01108 -0.01773 0.01938 144 4XZ 0.00147 0.00615 0.00000 0.00000 0.00000 145 4YZ -0.00564 0.00467 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 -0.00000 0.01937 0.01432 -0.00656 147 2S 0.00000 -0.00000 0.01881 0.17400 -0.22980 148 2PX 0.00000 -0.00000 0.15615 0.20734 -0.15201 149 2PY 0.00000 -0.00000 -0.07361 -0.22283 0.20945 150 2PZ -0.33804 0.14429 0.00000 0.00000 0.00000 151 3S 0.00000 -0.00000 -0.79838 -0.49418 0.17013 152 3PX 0.00000 -0.00000 -0.15303 0.61175 -0.49067 153 3PY 0.00000 -0.00000 0.94999 0.35103 0.06310 154 3PZ 0.60091 -0.18064 0.00000 0.00000 0.00000 155 4XX 0.00000 -0.00000 -0.00030 0.01158 -0.02080 156 4YY 0.00000 -0.00000 0.01771 0.04617 -0.04751 157 4ZZ 0.00000 -0.00000 -0.01483 -0.02118 0.01768 158 4XY 0.00000 -0.00000 0.01186 0.03835 -0.03413 159 4XZ -0.01040 -0.02199 0.00000 0.00000 0.00000 160 4YZ 0.00496 -0.00218 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 -0.00000 -0.03518 -0.01929 -0.00000 162 2S 0.00000 -0.00000 -0.04467 -0.02449 0.00000 163 2PX 0.00000 -0.00000 -0.02443 0.02293 -0.05834 164 2PY 0.00000 -0.00000 0.00695 0.02478 -0.03368 165 2PZ 0.42080 0.33146 0.00000 0.00000 0.00000 166 3S 0.00000 -0.00000 0.75565 0.41430 -0.00000 167 3PX 0.00000 -0.00000 0.08108 0.77037 -0.57030 168 3PY 0.00000 -0.00000 -0.84714 -0.04535 -0.32926 169 3PZ -0.67560 -0.53217 0.00000 0.00000 0.00000 170 4XX 0.00000 -0.00000 -0.03548 -0.02577 0.00895 171 4YY 0.00000 -0.00000 -0.01833 -0.00373 -0.00895 172 4ZZ 0.00000 -0.00000 0.02058 0.01128 0.00000 173 4XY 0.00000 -0.00000 -0.02425 -0.00909 -0.00597 174 4XZ 0.00092 0.01782 0.00000 0.00000 0.00000 175 4YZ -0.02079 -0.00650 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 -0.00000 0.02249 0.00863 0.00656 177 2S 0.00000 -0.00000 0.15681 -0.07771 0.22981 178 2PX 0.00000 -0.00000 0.06759 -0.06010 0.10538 179 2PY 0.00000 -0.00000 -0.33784 0.01143 -0.23636 180 2PZ 0.06111 -0.36243 0.00000 0.00000 0.00000 181 3S 0.00000 -0.00000 -0.84598 -0.40738 -0.17013 182 3PX 0.00000 -0.00000 -0.91546 -0.30117 -0.19069 183 3PY 0.00000 -0.00000 0.02800 0.70271 -0.45648 184 3PZ -0.03488 0.62650 0.00000 0.00000 0.00000 185 4XX 0.00000 -0.00000 0.06777 -0.01701 0.06643 186 4YY 0.00000 -0.00000 -0.00972 0.00064 0.00188 187 4ZZ 0.00000 -0.00000 -0.02584 -0.00111 -0.01768 188 4XY 0.00000 -0.00000 -0.00007 -0.00361 0.00371 189 4XZ 0.01274 -0.00214 0.00000 0.00000 0.00000 190 4YZ 0.02015 0.00696 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 -0.00000 0.03224 -0.01372 0.03471 192 2S 0.00000 -0.00000 0.23128 -0.03646 0.20247 193 2PX 0.00000 -0.00000 0.11959 -0.07662 0.11758 194 2PY 0.00000 -0.00000 0.09495 0.03652 0.01790 195 2PZ -0.33012 0.05819 0.00000 0.00000 0.00000 196 3S 0.00000 -0.00000 0.19399 0.62372 -0.66542 197 3PX 0.00000 -0.00000 1.38185 -0.23974 0.73658 198 3PY 0.00000 -0.00000 0.76000 0.68271 -0.19135 199 3PZ 0.43790 -0.21202 0.00000 0.00000 0.00000 200 4XX 0.00000 -0.00000 0.04905 -0.00334 0.03069 201 4YY 0.00000 -0.00000 0.10242 -0.01419 0.08358 202 4ZZ 0.00000 -0.00000 -0.05519 0.00447 -0.03964 203 4XY 0.00000 -0.00000 0.01156 -0.01046 0.01414 204 4XZ -0.00595 0.00570 0.00000 0.00000 0.00000 205 4YZ -0.00387 -0.00328 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 -0.00000 0.29325 -0.06793 0.22596 207 2S 0.00000 -0.00000 1.76024 0.18377 0.65423 208 20 H 1S 0.00000 -0.00000 0.21185 -0.00773 0.15588 209 2S 0.00000 -0.00000 -0.61464 -0.08535 -0.23765 210 21 H 1S 0.00000 -0.00000 -0.10927 -0.05991 -0.00000 211 2S 0.00000 -0.00000 0.30742 0.16855 -0.00000 212 22 H 1S 0.00000 -0.00000 0.10740 0.18277 -0.15588 213 2S 0.00000 -0.00000 -0.40247 -0.47231 0.23765 214 23 H 1S 0.00000 -0.00000 0.10042 0.28377 -0.22596 215 2S 0.00000 -0.00000 1.10150 1.38526 -0.65423 216 24 C 1S 0.00000 -0.00000 -0.00894 0.00543 -0.00000 217 2S 0.00000 -0.00000 -0.25565 0.15522 -0.00000 218 2PX 0.00000 -0.00000 -0.02873 0.03585 0.00692 219 2PY 0.00000 -0.00000 -0.06861 0.03103 -0.00400 220 2PZ 0.00801 -0.00320 0.00000 0.00000 0.00000 221 3S 0.00000 -0.00000 1.14521 -0.69534 0.00000 222 3PX 0.00000 -0.00000 -1.24765 -0.31305 -0.58090 223 3PY 0.00000 -0.00000 -1.06416 1.26424 0.33538 224 3PZ 0.07779 -0.03106 0.00000 0.00000 0.00000 225 4XX 0.00000 -0.00000 -0.02461 0.01022 -0.00839 226 4YY 0.00000 -0.00000 -0.01709 0.01511 0.00839 227 4ZZ 0.00000 -0.00000 0.00992 -0.00602 0.00000 228 4XY 0.00000 -0.00000 0.00193 -0.00432 -0.00560 229 4XZ -0.00037 -0.00077 0.00000 0.00000 0.00000 230 4YZ 0.00009 0.00049 0.00000 0.00000 0.00000 231 25 C 1S 0.00000 -0.00000 -0.03281 -0.01228 -0.03471 232 2S 0.00000 -0.00000 -0.23267 -0.02621 -0.20247 233 2PX 0.00000 -0.00000 -0.12286 -0.07126 -0.11758 234 2PY 0.00000 -0.00000 0.09324 -0.04067 0.01790 235 2PZ 0.30011 0.14933 0.00000 0.00000 0.00000 236 3S 0.00000 -0.00000 -0.16627 0.63167 0.66542 237 3PX 0.00000 -0.00000 -1.39108 -0.17851 -0.73658 238 3PY 0.00000 -0.00000 0.72912 -0.71559 -0.19135 239 3PZ -0.35990 -0.32738 0.00000 0.00000 0.00000 240 4XX 0.00000 -0.00000 -0.04915 -0.00118 -0.03069 241 4YY 0.00000 -0.00000 -0.10294 -0.00965 -0.08358 242 4ZZ 0.00000 -0.00000 0.05534 0.00203 0.03964 243 4XY 0.00000 -0.00000 0.01201 0.00994 0.01414 244 4XZ 0.00409 0.00715 0.00000 0.00000 0.00000 245 4YZ -0.00464 0.00205 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 -0.00000 -0.02209 0.00961 -0.00656 247 2S 0.00000 -0.00000 -0.16009 -0.07071 -0.22980 248 2PX 0.00000 -0.00000 -0.07018 -0.05706 -0.10538 249 2PY 0.00000 -0.00000 -0.33801 0.00349 -0.23636 250 2PZ 0.04407 -0.36490 0.00000 0.00000 0.00000 251 3S 0.00000 -0.00000 0.82717 -0.44433 0.17013 252 3PX 0.00000 -0.00000 0.90127 -0.34129 0.19069 253 3PY 0.00000 -0.00000 -0.00305 -0.70326 -0.45648 254 3PZ -0.14402 0.61073 0.00000 0.00000 0.00000 255 4XX 0.00000 -0.00000 -0.06845 -0.01400 -0.06643 256 4YY 0.00000 -0.00000 0.00974 0.00021 -0.00188 257 4ZZ 0.00000 -0.00000 0.02576 -0.00225 0.01768 258 4XY 0.00000 -0.00000 0.00009 0.00361 0.00371 259 4XZ -0.01161 -0.00566 0.00000 0.00000 0.00000 260 4YZ 0.02130 -0.00097 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 -0.00000 0.03430 -0.02083 -0.00000 262 2S 0.00000 -0.00000 0.04354 -0.02644 0.00000 263 2PX 0.00000 -0.00000 0.02542 0.02183 0.05834 264 2PY 0.00000 -0.00000 0.00585 -0.02507 -0.03368 265 2PZ -0.49745 0.19869 0.00000 0.00000 0.00000 266 3S 0.00000 -0.00000 -0.73662 0.44726 -0.00000 267 3PX 0.00000 -0.00000 -0.04699 0.77320 0.57030 268 3PY 0.00000 -0.00000 -0.84431 0.08271 -0.32926 269 3PZ 0.79867 -0.31900 0.00000 0.00000 0.00000 270 4XX 0.00000 -0.00000 0.03431 -0.02731 -0.00895 271 4YY 0.00000 -0.00000 0.01815 -0.00454 0.00895 272 4ZZ 0.00000 -0.00000 -0.02006 0.01218 0.00000 273 4XY 0.00000 -0.00000 -0.02383 0.01015 -0.00597 274 4XZ -0.00593 0.01683 0.00000 0.00000 0.00000 275 4YZ -0.02178 0.00035 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 -0.00000 -0.01872 0.01517 0.00656 277 2S 0.00000 -0.00000 -0.01111 0.17466 0.22981 278 2PX 0.00000 -0.00000 -0.14684 0.21403 0.15201 279 2PY 0.00000 -0.00000 -0.06370 0.22587 0.20945 280 2PZ 0.28332 0.23413 0.00000 0.00000 0.00000 281 3S 0.00000 -0.00000 0.77579 -0.52895 -0.17013 282 3PX 0.00000 -0.00000 0.17989 0.60439 0.49067 283 3PY 0.00000 -0.00000 0.93357 -0.39263 0.06310 284 3PZ -0.52512 -0.34346 0.00000 0.00000 0.00000 285 4XX 0.00000 -0.00000 0.00081 0.01156 0.02080 286 4YY 0.00000 -0.00000 -0.01566 0.04690 0.04751 287 4ZZ 0.00000 -0.00000 0.01388 -0.02182 -0.01768 288 4XY 0.00000 -0.00000 0.01015 -0.03884 -0.03413 289 4XZ 0.01621 -0.01815 0.00000 0.00000 0.00000 290 4YZ 0.00414 0.00349 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 -0.00000 -0.00424 0.03478 0.03471 292 2S 0.00000 -0.00000 -0.08407 0.21852 0.20247 293 2PX 0.00000 -0.00000 0.06522 -0.12634 -0.07429 294 2PY 0.00000 -0.00000 0.04523 0.09089 0.09287 295 2PZ 0.11466 -0.31499 0.00000 0.00000 0.00000 296 3S 0.00000 -0.00000 -0.63715 -0.14386 -0.66542 297 3PX 0.00000 -0.00000 1.08277 -0.93267 -0.20257 298 3PY 0.00000 -0.00000 0.06707 0.98178 0.73357 299 3PZ -0.03534 0.48524 0.00000 0.00000 0.00000 300 4XX 0.00000 -0.00000 -0.03214 0.09431 0.08096 301 4YY 0.00000 -0.00000 -0.02841 0.04563 0.03331 302 4ZZ 0.00000 -0.00000 0.02373 -0.05003 -0.03964 303 4XY 0.00000 -0.00000 -0.01028 0.01820 0.01938 304 4XZ -0.00315 0.00548 0.00000 0.00000 0.00000 305 4YZ -0.00409 -0.00607 0.00000 0.00000 0.00000 306 30 H 1S 0.00000 -0.00000 -0.08780 0.28793 0.22596 307 2S 0.00000 -0.00000 -1.03927 1.43253 0.65423 308 31 H 1S 0.00000 -0.00000 -0.09923 0.18733 0.15588 309 2S 0.00000 -0.00000 0.38123 -0.48962 -0.23765 310 32 H 1S 0.00000 -0.00000 0.10652 -0.06468 -0.00000 311 2S 0.00000 -0.00000 -0.29968 0.18196 -0.00000 312 33 H 1S 0.00000 -0.00000 -0.21198 0.00163 -0.15588 313 2S 0.00000 -0.00000 0.61027 -0.11240 0.23765 314 34 H 1S 0.00000 -0.00000 -0.29597 -0.05492 -0.22596 315 2S 0.00000 -0.00000 -1.75041 0.26130 -0.65423 141 142 143 144 145 (E")--V (E")--V (A")--V (A")--V (E")--V Eigenvalues -- 0.57134 0.57134 0.58703 0.60951 0.66326 1 1 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 3 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 4 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 5 2PZ 0.00000 -0.00000 0.28131 0.00001 0.00000 6 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 7 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 8 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 9 3PZ -0.00000 0.00000 -0.16192 -0.00001 -0.00000 10 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 11 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 12 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 13 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00340 -0.00023 -0.00000 -0.00000 -0.04485 15 4YZ 0.00023 0.00340 0.00000 -0.00000 -0.03082 16 2 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 17 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 18 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 19 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 20 2PZ -0.62879 0.04220 0.09568 0.00000 0.37997 21 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 22 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 23 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 24 3PZ 0.88212 -0.05920 -0.32374 -0.00000 -0.98377 25 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 26 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 27 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 28 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 29 4XZ -0.01164 0.00078 -0.01293 -0.00000 0.01456 30 4YZ 0.00134 0.01990 0.00000 -0.00872 -0.01442 31 3 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 33 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 34 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 35 2PZ -0.00758 0.22719 -0.17052 -0.39823 -0.29574 36 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 37 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 38 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 39 3PZ -0.09113 -0.37838 0.47357 0.65830 0.82341 40 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 44 4XZ 0.01924 -0.00485 0.00447 0.00061 0.00649 45 4YZ 0.00036 -0.01239 0.00165 0.01518 0.00201 46 4 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 50 2PZ 0.27902 -0.19191 0.31208 0.20631 0.23634 51 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 52 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 53 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 54 3PZ -0.47075 0.35340 -0.72111 -0.43962 -0.71166 55 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 59 4XZ -0.00622 -0.00022 -0.00324 0.00157 -0.00674 60 4YZ -0.00902 0.00557 -0.00043 -0.00444 -0.00681 61 5 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 65 2PZ -0.25976 0.01743 -0.33182 -0.00001 -0.18408 66 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 67 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 68 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 69 3PZ 0.56885 -0.03817 0.79139 0.00002 0.63057 70 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 74 4XZ -0.00503 0.00034 0.00027 -0.00000 -0.00443 75 4YZ -0.00029 -0.00426 -0.00000 0.00000 0.00040 76 6 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 80 2PZ 0.30216 0.15291 0.31209 -0.20629 0.25607 81 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 82 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 83 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 84 3PZ -0.51375 -0.28735 -0.72113 0.43958 -0.76989 85 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 89 4XZ -0.00614 0.00105 -0.00324 -0.00157 -0.00505 90 4YZ 0.00969 0.00432 0.00043 -0.00444 0.00718 91 7 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 95 2PZ -0.03786 -0.22415 -0.17055 0.39821 -0.38053 96 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 97 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 98 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 99 3PZ -0.03976 0.38717 0.47361 -0.65827 0.95433 100 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 104 4XZ 0.01971 0.00223 0.00447 -0.00061 0.00245 105 4YZ -0.00201 -0.01223 -0.00165 0.01518 0.00370 106 8 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 108 9 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 109 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 110 10 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 112 11 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 113 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 114 12 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 116 13 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 118 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 119 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 120 2PZ 0.27785 -0.56564 0.09568 0.00000 0.03612 121 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 122 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 123 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 124 3PZ -0.38979 0.79354 -0.32374 -0.00000 -0.09352 125 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 126 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 127 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 128 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 129 4XZ 0.01293 0.01285 0.00646 0.00755 -0.02267 130 4YZ 0.01341 -0.00467 -0.01120 0.00436 -0.01149 131 14 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 135 2PZ 0.21305 0.07928 -0.17055 0.39821 0.04250 136 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 137 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 138 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 139 3PZ -0.31542 -0.22801 0.47361 -0.65827 -0.03074 140 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 144 4XZ -0.00415 -0.01176 -0.00080 -0.01285 0.00230 145 4YZ -0.01601 0.01163 0.00469 -0.00812 0.00592 146 15 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 150 2PZ -0.28351 0.18522 0.31209 -0.20629 0.00604 151 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 154 3PZ 0.50572 -0.30125 -0.72113 0.43958 -0.01916 155 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00635 -0.00248 0.00125 0.00463 0.00073 160 4YZ 0.00616 -0.00817 -0.00302 0.00086 -0.00195 161 16 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 165 2PZ 0.11479 -0.23367 -0.33182 -0.00001 -0.01750 166 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 169 3PZ -0.25137 0.51172 0.79139 0.00002 0.05994 170 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 174 4XZ -0.00443 0.00063 -0.00014 -0.00000 0.00081 175 4YZ 0.00001 -0.00486 0.00024 -0.00000 -0.00002 176 17 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 180 2PZ 0.02669 0.33760 0.31208 0.20631 0.04077 181 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 184 3PZ -0.07068 -0.58439 -0.72111 -0.43962 -0.12167 185 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 189 4XZ -0.00138 0.01182 0.00199 0.00306 0.00039 190 4YZ 0.00302 0.00073 -0.00260 0.00358 0.00130 191 18 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 195 2PZ -0.19297 -0.12016 -0.17052 -0.39823 -0.10678 196 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 199 3PZ 0.37325 0.11027 0.47357 0.65830 0.19973 200 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 204 4XZ -0.00643 -0.01518 -0.00366 -0.01345 0.00599 205 4YZ -0.00997 0.01327 0.00304 -0.00707 -0.00015 206 19 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 208 20 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 210 21 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 216 24 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 218 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 219 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 220 2PZ 0.35094 0.52345 0.09568 0.00000 -0.41609 221 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 222 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 223 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 224 3PZ -0.49233 -0.73433 -0.32374 -0.00000 1.07729 225 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 226 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 227 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 228 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 229 4XZ 0.01110 -0.01447 0.00646 -0.00755 -0.00152 230 4YZ -0.01391 -0.00284 0.01120 0.00436 0.01929 231 25 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 233 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 234 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 235 2PZ -0.17518 0.14487 -0.17055 0.39821 0.33804 236 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 237 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 238 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 239 3PZ 0.35518 -0.15915 0.47361 -0.65827 -0.92358 240 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 241 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 242 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 243 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 244 4XZ -0.00434 0.01590 -0.00366 0.01345 0.00429 245 4YZ 0.01165 0.01182 -0.00304 -0.00707 0.00494 246 26 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 250 2PZ -0.01865 -0.33813 0.31209 -0.20629 -0.26211 251 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00803 0.58859 -0.72113 0.43958 0.78905 255 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 259 4XZ -0.00295 -0.01153 0.00199 -0.00306 -0.01006 260 4YZ -0.00289 0.00113 0.00260 0.00358 -0.00239 261 27 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 265 2PZ 0.14497 0.21624 -0.33182 -0.00001 0.20157 266 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 267 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 268 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 269 3PZ -0.31748 -0.47356 0.79139 0.00002 -0.69051 270 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 274 4XZ -0.00447 -0.00003 -0.00014 0.00000 -0.00217 275 4YZ -0.00066 -0.00481 -0.00024 -0.00000 -0.00435 276 28 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 280 2PZ -0.30571 -0.14568 0.31208 0.20631 -0.27711 281 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 282 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 283 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 284 3PZ 0.54143 0.23098 -0.72111 -0.43962 0.83333 285 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00663 0.00161 0.00125 -0.00463 0.00385 290 4YZ -0.00720 -0.00728 0.00302 0.00086 -0.00893 291 29 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 293 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 294 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 295 2PZ 0.20054 -0.10703 -0.17052 -0.39823 0.40252 296 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 297 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 298 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 299 3PZ -0.28212 0.26811 0.47357 0.65830 -1.02314 300 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 301 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 302 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 303 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 304 4XZ -0.00254 0.01221 -0.00080 0.01285 0.00436 305 4YZ 0.01742 0.00939 -0.00469 -0.00812 0.00136 306 30 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 307 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 308 31 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 310 32 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 312 33 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 313 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 314 34 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 315 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 146 147 148 149 150 (E")--V (A")--V (A')--V (E')--V (E')--V Eigenvalues -- 0.66326 0.68339 0.68470 0.70456 0.70456 1 1 C 1S 0.00000 0.00000 0.00053 0.00000 -0.00000 2 2S 0.00000 0.00000 0.47564 -0.00000 -0.00000 3 2PX 0.00000 0.00000 -0.00000 0.00004 -0.02435 4 2PY 0.00000 0.00000 0.00000 -0.02435 -0.00004 5 2PZ -0.00000 -0.67592 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 2.00999 -0.00000 -0.00000 7 3PX 0.00000 0.00000 0.00000 -0.00366 2.09380 8 3PY 0.00000 0.00000 -0.00000 2.09380 0.00366 9 3PZ 0.00000 1.94673 0.00000 0.00000 0.00000 10 4XX 0.00000 0.00000 0.10661 -0.00008 0.04751 11 4YY 0.00000 0.00000 0.10661 0.00008 -0.04751 12 4ZZ 0.00000 0.00000 -0.06699 0.00000 0.00000 13 4XY 0.00000 0.00000 -0.00000 -0.05486 -0.00010 14 4XZ -0.03082 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.04485 -0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 0.00000 -0.00173 -0.00001 0.00687 17 2S 0.00000 0.00000 0.15710 -0.00037 0.21221 18 2PX 0.00000 0.00000 -0.10442 0.00045 -0.25862 19 2PY 0.00000 0.00000 0.00000 0.24798 0.00043 20 2PZ 0.26108 0.46964 0.00000 0.00000 0.00000 21 3S 0.00000 0.00000 0.47021 -0.00128 0.72685 22 3PX 0.00000 0.00000 1.77527 -0.00535 3.06088 23 3PY 0.00000 0.00000 0.00000 -1.48713 -0.00260 24 3PZ -0.67596 -1.36642 0.00000 0.00000 0.00000 25 4XX 0.00000 0.00000 0.07978 -0.00013 0.07274 26 4YY 0.00000 0.00000 -0.01704 -0.00006 0.03457 27 4ZZ 0.00000 0.00000 -0.01412 0.00005 -0.02906 28 4XY 0.00000 0.00000 0.00000 0.00879 0.00002 29 4XZ 0.01000 -0.04072 0.00000 0.00000 0.00000 30 4YZ 0.02098 -0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 0.00000 0.00382 0.00338 0.00110 32 2S 0.00000 0.00000 -0.15505 -0.22209 0.07340 33 2PX 0.00000 0.00000 0.18498 0.16783 0.05388 34 2PY 0.00000 0.00000 -0.14912 -0.11954 -0.20680 35 2PZ -0.29405 -0.01838 0.00000 0.00000 0.00000 36 3S 0.00000 0.00000 -1.19505 0.73580 -1.93106 37 3PX 0.00000 0.00000 -1.09060 -0.90948 -0.78862 38 3PY 0.00000 0.00000 1.28603 0.26281 2.01266 39 3PZ 0.70603 0.42783 0.00000 0.00000 0.00000 40 4XX 0.00000 0.00000 -0.05830 -0.03066 -0.03977 41 4YY 0.00000 0.00000 -0.00834 -0.00242 0.00165 42 4ZZ 0.00000 0.00000 0.00608 -0.00342 0.01115 43 4XY 0.00000 0.00000 0.00463 0.03037 0.00813 44 4XZ 0.00013 -0.00815 0.00000 0.00000 0.00000 45 4YZ -0.00474 0.04413 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 -0.01334 -0.01128 -0.01473 47 2S 0.00000 0.00000 -0.07398 -0.15224 -0.06386 48 2PX 0.00000 0.00000 0.17720 0.12756 0.23313 49 2PY 0.00000 0.00000 0.17355 0.12812 0.31645 50 2PZ 0.18353 -0.02922 0.00000 0.00000 0.00000 51 3S 0.00000 0.00000 1.71799 0.80115 1.97938 52 3PX 0.00000 0.00000 -1.07644 -0.35530 -1.20127 53 3PY 0.00000 0.00000 -1.33246 -0.55179 -2.13207 54 3PZ -0.55137 -0.12870 0.00000 0.00000 0.00000 55 4XX 0.00000 0.00000 0.01988 0.00527 0.00940 56 4YY 0.00000 0.00000 -0.00287 -0.03934 0.02025 57 4ZZ 0.00000 0.00000 0.00179 0.01304 0.00047 58 4XY 0.00000 0.00000 -0.03616 -0.03085 -0.02990 59 4XZ -0.00282 -0.00621 0.00000 0.00000 0.00000 60 4YZ -0.00508 0.02100 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00894 -0.00003 0.01534 62 2S 0.00000 0.00000 0.07870 0.00003 -0.01710 63 2PX 0.00000 0.00000 -0.23968 0.00075 -0.42566 64 2PY 0.00000 0.00000 0.00000 0.03619 0.00006 65 2PZ -0.12648 -0.06235 0.00000 0.00000 0.00000 66 3S 0.00000 0.00000 -1.36546 0.00345 -1.96539 67 3PX 0.00000 0.00000 1.70737 -0.00469 2.67707 68 3PY 0.00000 0.00000 -0.00000 -0.35131 -0.00062 69 3PZ 0.43327 0.17869 0.00000 0.00000 0.00000 70 4XX 0.00000 0.00000 -0.03925 0.00005 -0.02942 71 4YY 0.00000 0.00000 0.00352 0.00006 -0.03285 72 4ZZ 0.00000 0.00000 0.01227 -0.00001 0.00789 73 4XY 0.00000 0.00000 -0.00000 0.02288 0.00004 74 4XZ -0.00304 0.01781 0.00000 0.00000 0.00000 75 4YZ -0.00058 -0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 -0.01334 0.01134 -0.01470 77 2S 0.00000 0.00000 -0.07398 0.15246 -0.06332 78 2PX 0.00000 0.00000 0.17720 -0.12837 0.23268 79 2PY 0.00000 0.00000 -0.17355 0.12923 -0.31600 80 2PZ 0.15481 -0.02922 0.00000 0.00000 0.00000 81 3S 0.00000 0.00000 1.71799 -0.80808 1.97656 82 3PX 0.00000 0.00000 -1.07644 0.35950 -1.20002 83 3PY 0.00000 0.00000 1.33246 -0.55926 2.13012 84 3PZ -0.46662 -0.12869 0.00000 0.00000 0.00000 85 4XX 0.00000 0.00000 0.01988 -0.00530 0.00938 86 4YY 0.00000 0.00000 -0.00287 0.03927 0.02039 87 4ZZ 0.00000 0.00000 0.00179 -0.01304 0.00043 88 4XY 0.00000 0.00000 0.03616 -0.03096 0.02979 89 4XZ -0.00529 -0.00621 0.00000 0.00000 0.00000 90 4YZ 0.00454 -0.02100 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00382 -0.00339 0.00108 92 2S 0.00000 0.00000 -0.15505 0.22184 0.07417 93 2PX 0.00000 0.00000 0.18498 -0.16802 0.05329 94 2PY 0.00000 0.00000 0.14912 -0.12027 0.20638 95 2PZ -0.17063 -0.01838 0.00000 0.00000 0.00000 96 3S 0.00000 0.00000 -1.19505 -0.72904 -1.93363 97 3PX 0.00000 0.00000 -1.09061 0.91224 -0.78543 98 3PY 0.00000 0.00000 -1.28603 0.26985 -2.01172 99 3PZ 0.51548 0.42782 0.00000 0.00000 0.00000 100 4XX 0.00000 0.00000 -0.05830 0.03079 -0.03967 101 4YY 0.00000 0.00000 -0.00834 0.00241 0.00166 102 4ZZ 0.00000 0.00000 0.00608 0.00338 0.01116 103 4XY 0.00000 0.00000 -0.00463 0.03040 -0.00802 104 4XZ 0.00601 -0.00815 0.00000 0.00000 0.00000 105 4YZ -0.00358 -0.04413 0.00000 0.00000 0.00000 106 8 H 1S 0.00000 0.00000 -0.00505 -0.03121 0.02604 107 2S 0.00000 0.00000 -0.79109 0.34452 -1.21406 108 9 H 1S 0.00000 0.00000 -0.15084 0.16419 -0.16306 109 2S 0.00000 0.00000 0.84480 -0.46815 1.21328 110 10 H 1S 0.00000 0.00000 0.02727 -0.00027 0.15374 111 2S 0.00000 0.00000 -0.68984 0.00231 -1.31481 112 11 H 1S 0.00000 0.00000 -0.15084 -0.16362 -0.16364 113 2S 0.00000 0.00000 0.84480 0.46390 1.21492 114 12 H 1S 0.00000 0.00000 -0.00505 0.03112 0.02615 115 2S 0.00000 0.00000 -0.79110 -0.34028 -1.21527 116 13 C 1S 0.00000 0.00000 -0.00173 0.00595 -0.00342 117 2S 0.00000 0.00000 0.15710 0.18396 -0.10579 118 2PX 0.00000 0.00000 0.05221 0.21915 0.12171 119 2PY 0.00000 0.00000 -0.09043 -0.13235 0.21913 120 2PZ -0.45960 0.46964 0.00000 0.00000 0.00000 121 3S 0.00000 0.00000 0.47021 0.63011 -0.36232 122 3PX 0.00000 0.00000 -0.88764 -1.96874 -0.35357 123 3PY 0.00000 0.00000 1.53743 1.92732 -1.96599 124 3PZ 1.18995 -1.36642 0.00000 0.00000 0.00000 125 4XX 0.00000 0.00000 0.00717 0.03495 -0.02771 126 4YY 0.00000 0.00000 0.05558 0.05807 -0.02579 127 4ZZ 0.00000 0.00000 -0.01412 -0.02519 0.01449 128 4XY 0.00000 0.00000 -0.04841 -0.01436 0.01333 129 4XZ 0.00708 0.02036 0.00000 0.00000 0.00000 130 4YZ -0.01625 -0.03527 0.00000 0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00382 0.00263 0.00239 132 2S 0.00000 0.00000 -0.15505 -0.04668 -0.22921 133 2PX 0.00000 0.00000 -0.22164 -0.27194 -0.06026 134 2PY 0.00000 0.00000 0.08564 -0.00671 0.10246 135 2PZ 0.41487 -0.01838 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 -1.19505 -1.31005 1.59818 137 3PX 0.00000 0.00000 1.65904 2.19380 -0.47006 138 3PY 0.00000 0.00000 -0.30148 -0.04552 -0.73016 139 3PZ -1.08421 0.42782 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 -0.02430 -0.02887 -0.02063 141 4YY 0.00000 0.00000 -0.04234 -0.02065 0.01088 142 4ZZ 0.00000 0.00000 0.00608 0.00797 -0.00850 143 4XY 0.00000 0.00000 0.02730 0.03606 0.01312 144 4XZ 0.00379 0.04229 0.00000 0.00000 0.00000 145 4YZ -0.00373 0.01500 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 -0.01334 -0.01839 -0.00247 147 2S 0.00000 0.00000 -0.07398 -0.13107 -0.10038 148 2PX 0.00000 0.00000 0.06170 0.16011 -0.03733 149 2PY 0.00000 0.00000 0.24024 0.39923 -0.02752 150 2PZ -0.29917 -0.02922 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 1.71799 2.11579 -0.28846 152 3PX 0.00000 0.00000 -0.61572 -1.23025 0.35859 153 3PY 0.00000 0.00000 -1.59845 -2.11787 0.54036 154 3PZ 0.90005 -0.12869 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.02994 0.03217 -0.02424 156 4YY 0.00000 0.00000 -0.01292 -0.02337 -0.02006 157 4ZZ 0.00000 0.00000 0.00179 0.00689 0.01108 158 4XY 0.00000 0.00000 -0.02945 -0.02701 -0.02801 159 4XZ 0.00384 0.02130 0.00000 0.00000 0.00000 160 4YZ 0.01032 0.00512 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00894 0.01329 -0.00764 162 2S 0.00000 0.00000 0.07870 -0.01482 0.00852 163 2PX 0.00000 0.00000 0.11984 0.20012 -0.07892 164 2PY 0.00000 0.00000 -0.20757 -0.31055 0.19944 165 2PZ 0.22266 -0.06235 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 -1.36546 -1.70380 0.97971 167 3PX 0.00000 0.00000 -0.85369 -1.31204 0.40348 168 3PY 0.00000 0.00000 1.47863 1.92227 -1.30796 169 3PZ -0.76272 0.17869 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 -0.00717 -0.03629 0.00107 171 4YY 0.00000 0.00000 -0.02856 -0.01769 0.02997 172 4ZZ 0.00000 0.00000 0.01227 0.00684 -0.00393 173 4XY 0.00000 0.00000 0.02139 0.00421 0.01077 174 4XZ -0.00263 -0.00890 0.00000 0.00000 0.00000 175 4YZ 0.00467 0.01542 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 -0.01334 -0.00712 0.01714 177 2S 0.00000 0.00000 -0.07398 0.02082 0.16377 178 2PX 0.00000 0.00000 -0.23890 -0.25092 0.34663 179 2PY 0.00000 0.00000 0.06669 0.01462 -0.06203 180 2PZ -0.29644 -0.02922 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 1.71799 1.31362 -1.68351 182 3PX 0.00000 0.00000 1.69216 1.79146 -1.79122 183 3PY 0.00000 0.00000 -0.26599 0.03817 0.01469 184 3PZ 0.89200 -0.12870 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 -0.02429 0.02143 0.04689 186 4YY 0.00000 0.00000 0.04131 0.02128 -0.03221 187 4ZZ 0.00000 0.00000 0.00179 -0.00611 -0.01152 188 4XY 0.00000 0.00000 0.00670 0.02108 -0.00423 189 4XZ -0.01093 -0.01509 0.00000 0.00000 0.00000 190 4YZ 0.00206 -0.01588 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00382 -0.00074 -0.00348 192 2S 0.00000 0.00000 -0.15505 0.17461 0.15564 193 2PX 0.00000 0.00000 0.03665 0.12197 -0.09307 194 2PY 0.00000 0.00000 0.23476 0.02740 -0.25267 195 2PZ 0.40314 -0.01838 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 -1.19505 -2.04025 0.32831 197 3PX 0.00000 0.00000 -0.56843 -1.28158 0.47764 198 3PY 0.00000 0.00000 -1.58751 -1.00345 1.64056 199 3PZ -1.06611 0.42783 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 -0.01735 -0.00891 -0.01021 201 4YY 0.00000 0.00000 -0.04928 -0.00757 0.05792 202 4ZZ 0.00000 0.00000 0.00608 0.01136 -0.00262 203 4XY 0.00000 0.00000 0.02266 0.01495 -0.00740 204 4XZ 0.00230 -0.03414 0.00000 0.00000 0.00000 205 4YZ -0.00524 -0.02912 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.00000 -0.00505 0.00708 -0.04003 207 2S 0.00000 0.00000 -0.79110 -0.88231 0.90232 208 20 H 1S 0.00000 0.00000 -0.15084 -0.05991 0.22351 209 2S 0.00000 0.00000 0.84480 0.82020 -1.00921 210 21 H 1S 0.00000 0.00000 0.02727 0.13327 -0.07663 211 2S 0.00000 0.00000 -0.68984 -1.13982 0.65541 212 22 H 1S 0.00000 0.00000 -0.15084 -0.22331 -0.06066 213 2S 0.00000 0.00000 0.84480 1.28481 -0.20121 214 23 H 1S 0.00000 0.00000 -0.00505 0.03816 0.01401 215 2S 0.00000 0.00000 -0.79109 -1.22367 0.30867 216 24 C 1S 0.00000 0.00000 -0.00173 -0.00594 -0.00344 217 2S 0.00000 0.00000 0.15710 -0.18359 -0.10642 218 2PX 0.00000 0.00000 0.05221 -0.21958 0.12094 219 2PY 0.00000 0.00000 0.09043 -0.13159 -0.21959 220 2PZ 0.19852 0.46964 0.00000 0.00000 0.00000 221 3S 0.00000 0.00000 0.47021 -0.62884 -0.36453 222 3PX 0.00000 0.00000 -0.88763 1.96996 -0.34669 223 3PY 0.00000 0.00000 -1.53743 1.92044 1.97271 224 3PZ -0.51399 -1.36642 0.00000 0.00000 0.00000 225 4XX 0.00000 0.00000 0.00717 -0.03486 -0.02783 226 4YY 0.00000 0.00000 0.05558 -0.05798 -0.02599 227 4ZZ 0.00000 0.00000 -0.01412 0.02514 0.01457 228 4XY 0.00000 0.00000 0.04841 -0.01431 -0.01338 229 4XZ -0.02370 0.02036 0.00000 0.00000 0.00000 230 4YZ 0.00490 0.03527 0.00000 0.00000 0.00000 231 25 C 1S 0.00000 0.00000 0.00382 0.00075 -0.00348 232 2S 0.00000 0.00000 -0.15505 -0.17516 0.15503 233 2PX 0.00000 0.00000 0.03665 -0.12164 -0.09349 234 2PY 0.00000 0.00000 -0.23476 0.02651 0.25276 235 2PZ -0.24424 -0.01838 0.00000 0.00000 0.00000 236 3S 0.00000 0.00000 -1.19505 2.03909 0.33545 237 3PX 0.00000 0.00000 -0.56843 1.27990 0.48212 238 3PY 0.00000 0.00000 1.58751 -0.99770 -1.64406 239 3PZ 0.56873 0.42782 0.00000 0.00000 0.00000 240 4XX 0.00000 0.00000 -0.01736 0.00895 -0.01018 241 4YY 0.00000 0.00000 -0.04928 0.00737 0.05794 242 4ZZ 0.00000 0.00000 0.00608 -0.01135 -0.00265 243 4XY 0.00000 0.00000 -0.02266 0.01492 0.00745 244 4XZ 0.00477 -0.03414 0.00000 0.00000 0.00000 245 4YZ -0.00173 0.02912 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 -0.01334 0.00706 0.01716 247 2S 0.00000 0.00000 -0.07398 -0.02139 0.16370 248 2PX 0.00000 0.00000 -0.23890 0.24970 0.34751 249 2PY 0.00000 0.00000 -0.06669 0.01440 0.06208 250 2PZ 0.14435 -0.02922 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 1.71799 -1.30771 -1.68810 252 3PX 0.00000 0.00000 1.69216 -1.78517 -1.79749 253 3PY 0.00000 0.00000 0.26599 0.03821 -0.01456 254 3PZ -0.43343 -0.12869 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 -0.02429 -0.02160 0.04682 256 4YY 0.00000 0.00000 0.04131 -0.02117 -0.03229 257 4ZZ 0.00000 0.00000 0.00179 0.00615 -0.01150 258 4XY 0.00000 0.00000 -0.00670 0.02107 0.00430 259 4XZ 0.00429 -0.01509 0.00000 0.00000 0.00000 260 4YZ -0.00048 0.01588 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00894 -0.01327 -0.00769 262 2S 0.00000 0.00000 0.07870 0.01479 0.00857 263 2PX 0.00000 0.00000 0.11984 -0.19985 -0.07963 264 2PY 0.00000 0.00000 0.20757 -0.30985 -0.20053 265 2PZ -0.09617 -0.06235 0.00000 0.00000 0.00000 266 3S 0.00000 0.00000 -1.36546 1.70035 0.98568 267 3PX 0.00000 0.00000 -0.85369 1.31062 0.40808 268 3PY 0.00000 0.00000 -1.47863 1.91767 1.31469 269 3PZ 0.32945 0.17869 0.00000 0.00000 0.00000 270 4XX 0.00000 0.00000 -0.00717 0.03628 0.00120 271 4YY 0.00000 0.00000 -0.02856 0.01759 0.03003 272 4ZZ 0.00000 0.00000 0.01227 -0.00683 -0.00396 273 4XY 0.00000 0.00000 -0.02139 0.00425 -0.01076 274 4XZ 0.00170 -0.00890 0.00000 0.00000 0.00000 275 4YZ 0.00169 -0.01542 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 -0.01334 0.01840 -0.00240 277 2S 0.00000 0.00000 -0.07398 0.13142 -0.09992 278 2PX 0.00000 0.00000 0.06170 -0.15998 -0.03789 279 2PY 0.00000 0.00000 -0.24024 0.39914 0.02892 280 2PZ 0.11291 -0.02922 0.00000 0.00000 0.00000 281 3S 0.00000 0.00000 1.71799 -2.11477 -0.29587 282 3PX 0.00000 0.00000 -0.61572 1.22900 0.36291 283 3PY 0.00000 0.00000 1.59845 -2.11596 -0.54777 284 3PZ -0.34063 -0.12870 0.00000 0.00000 0.00000 285 4XX 0.00000 0.00000 0.02994 -0.03208 -0.02435 286 4YY 0.00000 0.00000 -0.01292 0.02344 -0.01998 287 4ZZ 0.00000 0.00000 0.00179 -0.00693 0.01105 288 4XY 0.00000 0.00000 0.02945 -0.02711 0.02792 289 4XZ -0.00069 0.02130 0.00000 0.00000 0.00000 290 4YZ 0.00552 -0.00512 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00382 -0.00264 0.00238 292 2S 0.00000 0.00000 -0.15505 0.04748 -0.22904 293 2PX 0.00000 0.00000 -0.22164 0.27215 -0.05931 294 2PY 0.00000 0.00000 -0.08564 -0.00635 -0.10248 295 2PZ -0.10909 -0.01838 0.00000 0.00000 0.00000 296 3S 0.00000 0.00000 -1.19505 1.30445 1.60275 297 3PX 0.00000 0.00000 1.65904 -2.19215 -0.47774 298 3PY 0.00000 0.00000 0.30147 -0.04807 0.73000 299 3PZ 0.36008 0.42783 0.00000 0.00000 0.00000 300 4XX 0.00000 0.00000 -0.02430 0.02895 -0.02053 301 4YY 0.00000 0.00000 -0.04234 0.02061 0.01095 302 4ZZ 0.00000 0.00000 0.00608 -0.00795 -0.00853 303 4XY 0.00000 0.00000 -0.02730 0.03611 -0.01299 304 4XZ 0.00079 0.04229 0.00000 0.00000 0.00000 305 4YZ -0.00686 -0.01500 0.00000 0.00000 0.00000 306 30 H 1S 0.00000 0.00000 -0.00505 -0.03821 0.01388 307 2S 0.00000 0.00000 -0.79110 1.22259 0.31294 308 31 H 1S 0.00000 0.00000 -0.15084 0.22352 -0.05988 309 2S 0.00000 0.00000 0.84480 -1.28410 -0.20571 310 32 H 1S 0.00000 0.00000 0.02727 -0.13301 -0.07710 311 2S 0.00000 0.00000 -0.68984 1.13751 0.65940 312 33 H 1S 0.00000 0.00000 -0.15084 0.05912 0.22372 313 2S 0.00000 0.00000 0.84480 -0.81666 -1.01207 314 34 H 1S 0.00000 0.00000 -0.00505 -0.00695 -0.04005 315 2S 0.00000 0.00000 -0.79109 0.87915 0.90539 151 152 153 154 155 (A')--V (E')--V (E')--V (A')--V (E')--V Eigenvalues -- 0.71668 0.71699 0.71699 0.72227 0.72288 1 1 C 1S 0.00000 0.00000 -0.00000 -0.00185 0.00000 2 2S 0.00000 0.00000 -0.00000 -0.22828 0.00000 3 2PX 0.00000 0.00248 -0.20369 0.00000 0.00025 4 2PY -0.00000 -0.20369 -0.00248 0.00000 -0.05221 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.00000 -0.00000 -0.00000 -0.45153 0.00000 7 3PX -0.00000 -0.02508 2.05538 -0.00000 -0.00911 8 3PY 0.00000 2.05538 0.02508 0.00000 1.88862 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00000 -0.00029 0.02375 -0.05628 -0.00011 11 4YY 0.00000 0.00029 -0.02375 -0.05628 0.00011 12 4ZZ -0.00000 -0.00000 0.00000 0.04201 -0.00000 13 4XY -0.00000 -0.02742 -0.00033 -0.00000 -0.02565 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00009 0.00698 -0.00344 -0.00003 17 2S 0.00000 -0.00318 0.26069 -0.21572 -0.00157 18 2PX 0.00000 0.00219 -0.17979 -0.02233 0.00042 19 2PY -0.05284 0.03635 0.00044 0.00000 0.23422 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S -0.00000 0.00527 -0.43116 1.08108 0.00668 22 3PX -0.00000 -0.02360 1.93476 -0.13972 -0.00667 23 3PY -0.49943 -1.28146 -0.01564 -0.00001 -1.85922 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX 0.00000 -0.00032 0.02605 -0.04670 -0.00018 26 4YY -0.00000 -0.00052 0.04255 0.01527 -0.00009 27 4ZZ -0.00000 0.00022 -0.01799 0.00162 0.00002 28 4XY -0.06194 -0.03581 -0.00044 -0.00000 0.00253 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.01330 -0.01063 0.00204 -0.00933 0.00956 32 2S -0.20577 -0.20757 0.13149 0.08665 -0.19294 33 2PX 0.07931 0.06697 0.00380 -0.14617 0.19440 34 2PY 0.13464 0.10662 -0.09757 0.01821 -0.18046 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.56172 1.01486 -0.89143 -0.21785 0.50438 37 3PX -0.23685 -0.34012 -0.33889 0.60647 -1.37271 38 3PY -1.06452 -1.22846 0.93239 0.18613 0.07964 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX -0.00159 -0.00021 -0.00559 0.01309 -0.03713 41 4YY -0.03439 -0.01072 0.02145 -0.02664 0.02629 42 4ZZ 0.00841 -0.00362 -0.00500 0.02158 -0.01486 43 4XY -0.02030 -0.02720 -0.00597 0.02417 0.00951 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.02322 0.02971 -0.00486 0.00228 -0.00827 47 2S -0.15001 -0.20972 -0.05410 0.04740 -0.18446 48 2PX -0.11695 -0.12545 0.10785 -0.02048 0.11367 49 2PY -0.33007 -0.49841 0.07153 0.17843 0.02771 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.04565 -0.05331 0.59792 0.31750 0.87945 52 3PX 0.19426 0.14250 -0.50468 0.19180 -0.81893 53 3PY 1.36076 1.99307 -0.51295 -1.08888 -0.04309 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX -0.01874 -0.03588 0.00367 -0.01938 0.00354 56 4YY 0.02453 0.03364 -0.00776 0.06123 -0.03014 57 4ZZ -0.02793 -0.03613 0.00236 -0.01159 0.00347 58 4XY 0.04249 0.06437 0.00148 -0.00201 -0.00087 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S -0.00000 0.00000 -0.00024 0.01894 0.00010 62 2S -0.00000 0.00103 -0.08462 -0.05404 -0.00029 63 2PX 0.00000 0.00031 -0.02601 -0.50212 -0.00307 64 2PY -0.02314 -0.08122 -0.00099 -0.00000 -0.04057 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00000 0.00343 -0.28215 -1.08770 -0.00578 67 3PX -0.00000 -0.00562 0.46281 1.98172 0.01193 68 3PY 0.54175 0.95967 0.01171 0.00000 0.36287 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.00000 0.00032 -0.02661 0.05969 0.00031 71 4YY 0.00000 0.00004 -0.00308 -0.07200 -0.00043 72 4ZZ 0.00000 -0.00007 0.00613 -0.02197 -0.00011 73 4XY -0.03490 -0.06077 -0.00074 -0.00000 0.00836 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.02322 -0.02958 -0.00558 0.00228 0.00829 77 2S 0.15001 0.21098 -0.04897 0.04740 0.18515 78 2PX 0.11695 0.12279 0.11088 -0.02048 -0.11425 79 2PY -0.33007 -0.49652 -0.08367 -0.17843 0.02560 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S -0.04565 0.03873 0.59903 0.31749 -0.87372 82 3PX -0.19427 -0.13016 -0.50801 0.19180 0.82036 83 3PY 1.36076 1.97998 0.56142 1.08889 -0.03140 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.01874 0.03578 0.00455 -0.01938 -0.00362 86 4YY -0.02453 -0.03344 -0.00858 0.06123 0.03087 87 4ZZ 0.02793 0.03606 0.00324 -0.01159 -0.00368 88 4XY 0.04249 0.06439 0.00009 0.00202 -0.00083 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.01330 0.01058 0.00230 -0.00933 -0.00960 92 2S 0.20577 0.20431 0.13652 0.08665 0.19275 93 2PX -0.07931 -0.06704 0.00217 -0.14617 -0.19487 94 2PY 0.13464 0.10421 0.10014 -0.01820 -0.18071 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.56172 -0.99282 -0.91593 -0.21786 -0.50531 97 3PX 0.23685 0.34828 -0.33048 0.60647 1.37631 98 3PY -1.06452 -1.20535 -0.96209 -0.18613 0.08312 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.00159 0.00035 -0.00559 0.01309 0.03714 101 4YY 0.03439 0.01019 0.02171 -0.02664 -0.02655 102 4ZZ -0.00841 0.00374 -0.00491 0.02158 0.01502 103 4XY -0.02030 -0.02734 0.00530 -0.02417 0.00926 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.07472 0.02005 0.05741 -0.08968 -0.13773 107 2S -0.73308 -0.50369 -0.79855 0.27226 0.37377 108 9 H 1S -0.26439 -0.33918 -0.05270 0.00947 0.08377 109 2S 1.07255 1.47456 0.37454 0.36444 -0.19200 110 10 H 1S -0.00000 -0.00010 0.00794 0.28286 0.00147 111 2S 0.00000 0.00225 -0.18555 -1.37272 -0.00815 112 11 H 1S 0.26439 0.34036 -0.04441 0.00947 -0.08349 113 2S -1.07255 -1.48325 0.33846 0.36443 0.19558 114 12 H 1S -0.07472 -0.02144 0.05690 -0.08968 0.13688 115 2S 0.73308 0.52302 -0.78602 0.27227 -0.36503 116 13 C 1S 0.00000 0.00609 -0.00342 -0.00344 0.00529 117 2S 0.00000 0.22736 -0.12759 -0.21572 0.28348 118 2PX 0.04576 0.09381 -0.01654 0.01116 0.13817 119 2PY 0.02642 -0.12690 0.09206 -0.01934 -0.00706 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S -0.00000 -0.37603 0.21102 1.08108 -1.20282 122 3PX 0.43252 -1.38683 -0.49440 0.06987 -1.39952 123 3PY 0.24971 1.14769 -1.37887 -0.12100 0.58036 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.04646 0.04666 0.00462 -0.00022 0.01901 126 4YY 0.04646 0.01317 -0.03819 -0.03120 0.02886 127 4ZZ -0.00000 -0.01569 0.00881 0.00162 -0.00373 128 4XY 0.03097 -0.00157 -0.01965 0.03098 -0.00735 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.01330 -0.00330 -0.01032 -0.00933 0.00842 132 2S 0.20577 0.01607 -0.24519 0.08665 -0.07797 133 2PX -0.07695 -0.04768 0.09303 0.08885 -0.16644 134 2PY -0.13600 0.01335 0.11950 -0.11749 0.06361 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -0.56172 -0.29681 1.31777 -0.21786 0.33419 137 3PX 0.80348 0.42980 -1.25242 -0.14204 0.80993 138 3PY 0.73738 -0.28341 -0.88056 0.61828 -0.69406 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.01097 0.02272 0.00163 -0.03483 0.03557 141 4YY 0.02501 -0.01403 -0.01882 0.02128 -0.01879 142 4ZZ -0.00841 -0.00612 -0.00079 0.02158 -0.02115 143 4XY 0.02655 0.00023 -0.02160 -0.00778 0.01888 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S -0.02322 0.00996 0.02841 0.00228 -0.00661 147 2S 0.15001 -0.14790 -0.15823 0.04740 -0.15366 148 2PX 0.22737 -0.16956 -0.32773 0.16477 -0.20771 149 2PY 0.26631 -0.05791 -0.37602 0.07148 0.00556 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.04565 0.49941 -0.33305 0.31749 -0.08148 152 3PX -1.08132 0.62373 1.54473 -1.03891 1.16266 153 3PY -0.84862 -0.07275 1.31531 -0.37834 0.05326 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.01815 -0.02060 -0.02523 0.04259 -0.06033 156 4YY -0.02394 0.01594 0.02522 -0.00073 -0.01121 157 4ZZ 0.02793 -0.01522 -0.03285 -0.01159 0.02075 158 4XY -0.04288 0.02768 0.06116 0.03930 -0.04378 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.00000 -0.00021 0.00012 0.01894 -0.01738 162 2S -0.00000 -0.07380 0.04141 -0.05404 0.05248 163 2PX 0.02004 -0.02308 -0.06771 0.25106 -0.29346 164 2PY 0.01157 -0.03952 -0.02439 -0.43485 0.46806 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 -0.24606 0.13810 -1.08770 1.04043 167 3PX -0.46917 0.20496 0.83809 -0.99086 1.23037 168 3PY -0.27088 0.58439 0.22229 1.71622 -1.77123 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX -0.02617 0.01449 0.04413 -0.03908 0.04098 171 4YY 0.02617 -0.04038 -0.02960 0.02677 -0.01976 172 4ZZ 0.00000 0.00535 -0.00300 -0.02197 0.01975 173 4XY 0.01745 -0.00461 -0.03226 -0.06584 0.06904 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.02322 -0.01907 -0.02330 0.00228 0.00160 177 2S -0.15001 0.05801 0.20868 0.04740 0.02960 178 2PX 0.34432 -0.34753 -0.37019 -0.14429 0.17844 179 2PY 0.06375 -0.02037 -0.15054 -0.10695 0.09801 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.04565 0.54446 -0.25279 0.31750 -0.95076 182 3PX -1.27559 1.50190 1.20822 0.84710 -1.06587 183 3PY -0.51215 0.28016 0.84644 0.71055 -0.29483 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.04558 -0.03555 -0.05400 0.03957 -0.03389 186 4YY -0.03978 0.03314 0.05798 0.00229 -0.01095 187 4ZZ -0.02793 0.02011 0.03011 -0.01159 0.01721 188 4XY 0.00039 -0.00688 0.00100 0.04131 -0.02997 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S -0.01330 0.00709 0.00819 -0.00933 -0.00109 192 2S -0.20577 0.21766 0.11402 0.08665 0.11326 193 2PX -0.15626 0.13444 0.06766 0.05732 -0.03045 194 2PY 0.00136 0.04276 -0.03010 -0.13569 -0.08074 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.56172 -1.27943 -0.43318 -0.21785 -0.16643 197 3PX 1.04033 -1.16952 -0.74960 -0.46442 -0.41550 198 3PY 0.32714 -0.81774 0.10299 0.43215 0.17233 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX -0.04141 0.02309 0.01957 0.00142 -0.00847 201 4YY 0.00543 -0.00389 -0.01804 -0.01497 0.03587 202 4ZZ 0.00841 -0.00252 0.00564 0.02158 -0.00634 203 4XY -0.00625 0.01012 -0.01548 -0.03195 0.00976 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.07472 0.06000 -0.00988 -0.08968 0.00863 207 2S 0.73308 -0.94223 -0.05994 0.27227 -0.60414 208 20 H 1S 0.26439 -0.20864 -0.27256 0.00947 0.01625 209 2S -1.07255 1.03474 1.11530 0.36443 -0.41896 210 21 H 1S -0.00000 0.00692 -0.00389 0.28286 -0.26480 211 2S 0.00000 -0.16182 0.09083 -1.37272 1.46765 212 22 H 1S -0.26439 0.12395 0.32008 0.00947 -0.06668 213 2S 1.07255 -0.41292 -1.46428 0.36444 -0.22678 214 23 H 1S 0.07472 0.03970 -0.04607 -0.08968 0.14478 215 2S -0.73308 -0.43972 0.83548 0.27226 -0.97046 216 24 C 1S 0.00000 -0.00600 -0.00356 -0.00344 -0.00526 217 2S 0.00000 -0.22418 -0.13310 -0.21572 -0.28190 218 2PX -0.04576 -0.09338 -0.01882 0.01117 -0.13966 219 2PY 0.02642 -0.12461 -0.09513 0.01934 -0.00572 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.00000 0.37076 0.22014 1.08108 1.19614 222 3PX -0.43252 1.39849 -0.46042 0.06986 1.40964 223 3PY 0.24972 1.11371 1.40645 0.12101 0.56682 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.04646 -0.04676 0.00348 -0.00022 -0.01888 226 4YY -0.04646 -0.01224 -0.03850 -0.03120 -0.02873 227 4ZZ -0.00000 0.01547 0.00919 0.00162 0.00370 228 4XY 0.03097 -0.00205 0.01961 -0.03098 -0.00729 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.01330 -0.00729 0.00801 -0.00933 0.00119 232 2S 0.20577 -0.22038 0.10868 0.08665 -0.11478 233 2PX 0.15626 -0.13605 0.06437 0.05732 0.03094 234 2PY 0.00136 0.04201 0.03113 0.13569 -0.08317 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -0.56172 1.28963 -0.40184 -0.21786 0.17112 237 3PX -1.04033 1.18747 -0.72085 -0.46443 0.42006 238 3PY 0.32714 -0.81498 -0.12290 -0.43215 0.18504 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.04141 -0.02356 0.01900 0.00142 0.00861 241 4YY -0.00543 0.00433 -0.01794 -0.01497 -0.03599 242 4ZZ -0.00841 0.00238 0.00570 0.02158 0.00614 243 4XY -0.00625 0.00974 0.01573 0.03195 0.00940 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S -0.02322 0.01963 -0.02283 0.00228 -0.00168 247 2S 0.15001 -0.06308 0.20720 0.04740 -0.03149 248 2PX -0.34432 0.35646 -0.36161 -0.14429 -0.17833 249 2PY 0.06375 -0.02403 0.15000 0.10695 0.09652 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.04565 -0.53814 -0.26598 0.31749 0.95521 252 3PX 1.27558 -1.53094 1.17124 0.84711 1.06484 253 3PY -0.51214 0.30073 -0.83936 -0.71055 -0.28551 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX -0.04558 0.03686 -0.05311 0.03957 0.03345 256 4YY 0.03978 -0.03454 0.05715 0.00229 0.01084 257 4ZZ 0.02793 -0.02084 0.02961 -0.01159 -0.01708 258 4XY 0.00039 -0.00685 -0.00116 -0.04131 -0.02962 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S -0.00000 0.00020 0.00012 0.01894 0.01728 262 2S -0.00000 0.07276 0.04320 -0.05404 -0.05219 263 2PX -0.02004 0.02473 -0.06712 0.25106 0.29222 264 2PY 0.01157 -0.04011 0.02342 0.43485 0.46523 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.00000 0.24263 0.14405 -1.08770 -1.03466 267 3PX 0.46917 -0.22533 0.83282 -0.99086 -1.22703 268 3PY -0.27087 0.58966 -0.20800 -1.71622 -1.75938 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX 0.02617 -0.01556 0.04377 -0.03908 -0.04069 271 4YY -0.02617 0.04109 -0.02861 0.02677 0.01958 272 4ZZ 0.00000 -0.00527 -0.00313 -0.02197 -0.01964 273 4XY 0.01745 -0.00539 0.03214 0.06584 0.06870 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.02322 -0.01065 0.02816 0.00228 0.00666 277 2S -0.15001 0.15172 -0.15458 0.04740 0.15486 278 2PX -0.22737 0.17751 -0.32349 0.16476 0.20694 279 2PY 0.26631 -0.06706 0.37449 -0.07148 0.00677 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.04565 -0.49116 -0.34512 0.31750 0.07130 282 3PX 1.08133 -0.66122 1.52904 -1.03890 -1.16042 283 3PY -0.84862 -0.04066 -1.31667 0.37833 0.04489 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.01815 0.02121 -0.02472 0.04259 0.06023 286 4YY 0.02394 -0.01655 0.02483 -0.00073 0.01121 287 4ZZ -0.02793 0.01602 -0.03247 -0.01159 -0.02068 288 4XY -0.04288 0.02916 -0.06047 -0.03930 -0.04373 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.01330 0.00355 -0.01023 -0.00933 -0.00848 292 2S -0.20577 -0.01009 -0.24551 0.08665 0.07968 293 2PX 0.07695 0.04540 0.09416 0.08885 0.16833 294 2PY -0.13600 0.01626 -0.11914 0.11749 0.06413 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S 0.56172 0.26457 1.32460 -0.21785 -0.33794 297 3PX -0.80348 -0.39913 -1.26253 -0.14204 -0.81383 298 3PY 0.73738 -0.30482 0.87338 -0.61828 -0.70298 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX -0.01097 -0.02276 0.00108 -0.03483 -0.03541 301 4YY -0.02501 0.01449 -0.01847 0.02128 0.01884 302 4ZZ 0.00841 0.00614 -0.00064 0.02158 0.02120 303 4XY 0.02655 -0.00030 0.02160 0.00778 0.01918 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.07472 -0.03856 -0.04702 -0.08968 -0.14550 307 2S 0.73308 0.41920 0.84596 0.27227 0.96917 308 31 H 1S 0.26439 -0.13172 0.31696 0.00947 0.06724 309 2S -1.07255 0.44851 -1.45376 0.36443 0.22338 310 32 H 1S -0.00000 -0.00683 -0.00405 0.28286 0.26333 311 2S 0.00000 0.15957 0.09473 -1.37272 -1.45950 312 33 H 1S -0.26439 0.21523 -0.26739 0.00947 -0.01709 313 2S 1.07255 -1.06164 1.08974 0.36444 0.41877 314 34 H 1S 0.07472 -0.05974 -0.01135 -0.08968 -0.00706 315 2S -0.73308 0.94341 -0.03693 0.27226 0.59669 156 157 158 159 160 (E')--V (E')--V (E')--V (E')--V (E')--V Eigenvalues -- 0.72288 0.76971 0.76971 0.77666 0.77666 1 1 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 3 2PX 0.05221 -0.08541 0.00016 -0.04345 0.00002 4 2PY 0.00025 0.00016 0.08541 0.00002 0.04345 5 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 6 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 7 3PX -1.88862 -0.79415 0.00149 -0.50159 0.00024 8 3PY -0.00911 0.00149 0.79415 0.00024 0.50159 9 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 10 4XX -0.02222 0.03666 -0.00007 0.02189 -0.00001 11 4YY 0.02222 -0.03666 0.00007 -0.02189 0.00001 12 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 13 4XY 0.00012 0.00008 0.04233 0.00001 0.02528 14 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 16 2 C 1S -0.00609 0.01130 -0.00002 -0.00394 0.00000 17 2S -0.32642 0.76236 -0.00144 0.03474 -0.00001 18 2PX 0.08659 -0.05130 0.00010 -0.10771 0.00005 19 2PY -0.00113 0.00036 0.19241 0.00010 0.21664 20 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 21 3S 1.38504 -1.67448 0.00317 1.43204 -0.00069 22 3PX -1.38453 -1.14304 0.00215 0.52637 -0.00026 23 3PY 0.00897 -0.00207 -1.09453 -0.00059 -1.23468 24 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 25 4XX -0.03674 0.07262 -0.00014 0.03697 -0.00002 26 4YY -0.01838 0.06269 -0.00012 0.02228 -0.00001 27 4ZZ 0.00429 -0.02400 0.00005 -0.02507 0.00001 28 4XY -0.00001 0.00003 0.01694 0.00000 0.00905 29 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 31 3 C 1S -0.00427 -0.01570 0.00110 0.00708 0.00634 32 2S -0.01939 0.30039 0.13276 0.15270 -0.11240 33 2PX -0.04908 -0.05688 -0.04925 -0.07750 0.07305 34 2PY 0.02712 0.21578 -0.03672 0.03748 -0.17405 35 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 36 3S -0.09902 0.33160 0.03470 -0.51429 0.52301 37 3PX 0.38031 0.18037 -0.54924 0.15564 -0.92532 38 3PY -0.36199 -0.98179 -0.09424 0.83313 0.38573 39 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 40 4XX 0.00126 -0.00399 -0.01772 0.00323 -0.03597 41 4YY -0.02666 0.05982 0.05647 0.01950 0.04845 42 4ZZ 0.01590 -0.00251 -0.01149 0.00037 -0.01926 43 4XY 0.02574 0.02272 0.00777 -0.00031 -0.00414 44 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 46 4 C 1S 0.00292 0.00468 -0.00376 -0.00664 -0.00558 47 2S 0.07232 -0.35630 -0.19182 0.28863 -0.29674 48 2PX -0.06062 0.13829 0.06491 0.19366 0.04414 49 2PY 0.21902 -0.20863 -0.14161 0.33771 -0.09490 50 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 51 3S 0.59008 0.02869 0.38637 -0.68722 0.84296 52 3PX 0.15226 -0.13136 -0.61829 -0.37911 -0.59861 53 3PY -1.21121 0.95907 0.57631 -0.95134 0.28549 54 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 55 4XX -0.00874 -0.03323 -0.02369 0.03188 -0.02526 56 4YY 0.07587 -0.03065 -0.01353 -0.02481 -0.01876 57 4ZZ -0.02188 -0.00208 0.00135 0.03486 -0.00024 58 4XY -0.00356 0.01638 0.00776 -0.03415 0.00998 59 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 61 5 C 1S 0.02001 0.00712 -0.00001 -0.00822 0.00000 62 2S -0.06044 -0.48013 0.00091 0.30966 -0.00015 63 2PX -0.63572 -0.07943 0.00015 0.39778 -0.00019 64 2PY 0.00020 -0.00017 -0.08962 -0.00001 -0.01826 65 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 66 3S -1.19805 1.81829 -0.00344 -1.19036 0.00057 67 3PX 2.47469 -0.28336 0.00053 -0.57389 0.00027 68 3PY -0.00175 0.00126 0.67571 0.00017 0.37176 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 70 4XX 0.06489 0.01845 -0.00003 -0.06751 0.00003 71 4YY -0.08933 -0.03589 0.00007 0.06088 -0.00003 72 4ZZ -0.02274 -0.02621 0.00005 0.04107 -0.00002 73 4XY -0.00004 -0.00004 -0.02188 -0.00000 -0.00282 74 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 76 6 C 1S 0.00284 0.00469 0.00375 -0.00664 0.00558 77 2S 0.07054 -0.35557 0.19317 0.28892 0.29646 78 2PX -0.05952 0.13805 -0.06544 0.19362 -0.04433 79 2PY -0.21928 0.20810 -0.14239 -0.33780 -0.09457 80 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 81 3S 0.59853 0.02722 -0.38649 -0.68803 -0.84231 82 3PX 0.14436 -0.12906 0.61879 -0.37854 0.59898 83 3PY 1.21155 -0.95690 0.57992 0.95161 0.28456 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 85 4XX -0.00870 -0.03314 0.02381 0.03190 0.02523 86 4YY 0.07558 -0.03060 0.01364 -0.02480 0.01878 87 4ZZ -0.02184 -0.00208 -0.00134 0.03486 0.00021 88 4XY 0.00357 -0.01635 0.00782 0.03415 0.00995 89 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 91 7 C 1S -0.00418 -0.01570 -0.00105 0.00707 -0.00635 92 2S -0.02125 0.29989 -0.13390 0.15282 0.11225 93 2PX -0.04720 -0.05670 0.04946 -0.07758 -0.07297 94 2PY -0.02538 -0.21591 -0.03591 -0.03765 -0.17401 95 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 96 3S -0.09414 0.33143 -0.03593 -0.51480 -0.52251 97 3PX 0.36706 0.18243 0.54857 0.15653 0.92518 98 3PY 0.36122 0.98141 -0.09795 -0.83276 0.38654 99 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 100 4XX 0.00091 -0.00393 0.01773 0.00327 0.03597 101 4YY -0.02640 0.05961 -0.05670 0.01945 -0.04846 102 4ZZ 0.01576 -0.00247 0.01150 0.00039 0.01926 103 4XY -0.02583 -0.02269 0.00786 0.00031 -0.00414 104 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 106 8 H 1S -0.08766 -0.06286 -0.11502 -0.00508 -0.18508 107 2S 0.90480 0.16103 0.42910 -0.78496 1.02983 108 9 H 1S 0.02864 0.07675 0.00455 -0.20300 0.00328 109 2S 0.37271 -0.54701 0.22610 1.00697 0.13717 110 10 H 1S 0.30491 0.20713 -0.00039 -0.21999 0.00011 111 2S -1.68999 -0.35594 0.00068 0.89401 -0.00043 112 11 H 1S 0.02944 0.07673 -0.00484 -0.20300 -0.00308 113 2S 0.37086 -0.54787 -0.22404 1.00684 -0.13814 114 12 H 1S -0.08899 -0.06244 0.11525 -0.00491 0.18508 115 2S 0.90835 0.15943 -0.42971 -0.78594 -1.02908 116 13 C 1S 0.00302 -0.00567 -0.00978 0.00197 0.00341 117 2S 0.16185 -0.38243 -0.65951 -0.01739 -0.03008 118 2PX -0.15469 -0.15702 0.06140 -0.18938 0.04726 119 2PY -0.13888 -0.06094 0.08669 -0.04710 0.13497 120 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 121 3S -0.68674 0.83998 1.44856 -0.71662 -1.23984 122 3PX 1.05505 0.53331 -0.96991 1.05746 -0.30722 123 3PY 1.40182 0.97000 0.58182 0.30637 -0.70359 124 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 125 4XX 0.01304 -0.02171 -0.06275 -0.00711 -0.02586 126 4YY 0.01429 -0.04617 -0.05431 -0.02254 -0.02543 127 4ZZ -0.00213 0.01204 0.02076 0.01255 0.02170 128 4XY -0.00565 -0.00484 0.00854 -0.00024 0.00863 129 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 131 14 C 1S -0.00623 0.00694 0.01412 -0.00904 -0.00295 132 2S 0.17755 -0.26591 -0.19276 0.02080 -0.18847 133 2PX 0.19712 -0.10215 -0.18967 0.12641 -0.15542 134 2PY -0.05381 0.02321 -0.08136 0.04480 0.02997 135 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 136 3S -0.39054 -0.19683 -0.26907 -0.19510 0.70709 137 3PX -0.41013 0.30649 0.90979 -1.01198 -0.15812 138 3PY 0.92760 0.62020 0.02612 0.25054 -0.78197 139 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 140 4XX 0.01629 -0.04124 -0.00703 -0.03420 0.00169 141 4YY 0.00563 -0.02035 -0.02171 0.01202 -0.01512 142 4ZZ 0.00513 0.01119 -0.00361 0.01649 -0.00997 143 4XY -0.03122 -0.05719 -0.01676 -0.03874 0.01320 144 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 146 15 C 1S 0.00576 0.00090 -0.00594 0.00816 0.00296 147 2S 0.12507 0.34507 0.21135 0.11228 -0.39844 148 2PX -0.07955 0.25975 0.13783 -0.00774 -0.22154 149 2PY -0.12582 0.00483 -0.02069 -0.16059 -0.29593 150 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 151 3S -1.05593 -0.34832 0.16968 -0.38544 1.01701 152 3PX 0.22903 -1.14950 -0.36775 -0.15536 0.82276 153 3PY 0.86924 0.02964 -0.44052 0.72783 0.50774 154 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 155 4XX -0.00987 0.04085 0.02664 0.01663 -0.02691 156 4YY 0.00003 0.02346 0.00983 0.01794 -0.00124 157 4ZZ 0.00774 -0.00012 0.00248 -0.01725 -0.03029 158 4XY -0.00488 -0.01251 -0.00368 0.01561 0.04344 159 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 161 16 C 1S -0.00992 -0.00357 -0.00616 0.00411 0.00711 162 2S 0.02997 0.24085 0.41535 -0.15496 -0.26810 163 2PX -0.12709 0.04722 -0.07329 0.11322 0.16428 164 2PY 0.29059 0.07328 0.03703 -0.16448 -0.30282 165 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 166 3S 0.59402 -0.91212 -1.57297 0.59568 1.03059 167 3PX 0.34060 -0.57731 0.17097 -0.42233 -0.08733 168 3PY -1.22019 -0.16919 0.38177 0.08777 0.52331 169 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 170 4XX 0.03062 -0.00301 0.02753 -0.01623 -0.02386 171 4YY -0.01851 0.01176 -0.01244 0.01955 0.02960 172 4ZZ 0.01127 0.01315 0.02267 -0.02055 -0.03555 173 4XY 0.03460 0.02309 0.01802 -0.03090 -0.05629 174 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 176 17 C 1S -0.00862 -0.00560 -0.00217 -0.00151 0.00854 177 2S -0.19591 0.01202 0.40447 -0.40130 -0.10159 178 2PX 0.00968 0.02233 -0.14168 0.24670 0.30708 179 2PY 0.15426 -0.00204 -0.25757 0.07477 -0.04185 180 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 181 3S 0.46659 0.32026 -0.21803 1.07364 0.17367 182 3PX -0.09948 0.21794 0.75740 -0.46163 -0.90370 183 3PY -0.96428 -0.41661 0.92561 -0.64625 0.20296 184 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 185 4XX -0.04540 0.00064 0.02159 0.00696 0.03784 186 4YY -0.01121 -0.00092 0.05234 -0.04861 -0.02195 187 4ZZ 0.01394 0.00221 0.00113 -0.01764 -0.03007 188 4XY -0.03625 0.00449 0.00537 0.00413 0.01063 189 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 191 18 C 1S 0.01042 0.00880 0.01304 0.00195 -0.00930 192 2S -0.15740 -0.03522 -0.32652 -0.17369 -0.07605 193 2PX 0.05064 0.12808 0.10899 0.09576 -0.06255 194 2PY 0.25197 0.05754 0.14824 0.17308 -0.00078 195 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 196 3S 0.48631 -0.13575 -0.30452 0.71009 0.18388 197 3PX 0.47300 -0.07153 -0.83636 0.51104 0.62793 198 3PY -1.31920 -0.69467 -0.34613 -0.72013 0.74113 199 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 200 4XX 0.01540 0.00744 -0.07462 0.01339 -0.02528 201 4YY -0.01209 -0.00179 0.00690 -0.01395 -0.00064 202 4ZZ -0.02082 -0.00869 0.00792 -0.01687 0.00931 203 4XY 0.03676 0.01849 -0.03440 0.03420 -0.02932 204 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 206 19 H 1S 0.16303 0.13103 -0.00355 0.16274 -0.08829 207 2S -0.77030 -0.45185 0.07679 -0.49824 1.19519 208 20 H 1S -0.08703 -0.04255 -0.06403 0.09883 0.17735 209 2S -0.01605 0.07991 0.58648 -0.62305 -0.80288 210 21 H 1S -0.15118 -0.10390 -0.17918 0.11008 0.19046 211 2S 0.83794 0.17856 0.30791 -0.44738 -0.77402 212 22 H 1S 0.05823 -0.03444 -0.06874 0.10434 0.17417 213 2S -0.35263 0.46931 0.36067 -0.38470 -0.94065 214 23 H 1S -0.07544 -0.06818 0.11195 -0.15774 0.09694 215 2S -0.12870 0.29110 -0.35400 1.28434 0.16488 216 24 C 1S 0.00307 -0.00563 0.00980 0.00197 -0.00341 217 2S 0.16457 -0.37994 0.66095 -0.01736 0.03010 218 2PX -0.15335 -0.15725 -0.06081 -0.18943 -0.04707 219 2PY 0.13894 0.06127 0.08646 0.04723 0.13492 220 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 221 3S -0.69831 0.83450 -1.45173 -0.71542 1.24053 222 3PX 1.04151 0.53697 0.96789 1.05775 0.30620 223 3PY -1.40734 -0.96780 0.58548 -0.30705 -0.70330 224 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 225 4XX 0.01322 -0.02147 0.06284 -0.00708 0.02587 226 4YY 0.01457 -0.04597 0.05448 -0.02252 0.02545 227 4ZZ -0.00216 0.01196 -0.02081 0.01252 -0.02172 228 4XY 0.00572 0.00487 0.00852 0.00025 0.00863 229 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 231 25 C 1S 0.01041 0.00876 -0.01307 0.00196 0.00930 232 2S -0.15630 -0.03399 0.32666 -0.17362 0.07622 233 2PX 0.05034 0.12766 -0.10947 0.09582 0.06246 234 2PY -0.25118 -0.05698 0.14846 -0.17308 -0.00062 235 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 236 3S 0.48468 -0.13460 0.30499 0.70991 -0.18458 237 3PX 0.46897 -0.06836 0.83662 0.51044 -0.62843 238 3PY 1.31747 0.69337 -0.34874 0.72085 0.74045 239 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 240 4XX 0.01532 0.00772 0.07459 0.01341 0.02527 241 4YY -0.01174 -0.00181 -0.00689 -0.01395 0.00066 242 4ZZ -0.02088 -0.00872 -0.00789 -0.01688 -0.00929 243 4XY -0.03685 -0.01862 -0.03433 -0.03423 -0.02928 244 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 246 26 C 1S -0.00860 -0.00559 0.00219 -0.00152 -0.00854 247 2S -0.19561 0.01050 -0.40452 -0.40120 0.10198 248 2PX 0.01140 0.02286 0.14159 0.24641 -0.30732 249 2PY -0.15520 0.00107 -0.25758 -0.07480 -0.04178 250 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 251 3S 0.45740 0.32110 0.21682 1.07348 -0.17470 252 3PX -0.10974 0.21509 -0.75820 -0.46075 0.90415 253 3PY 0.96707 0.42009 0.92407 0.64644 0.20235 254 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 255 4XX -0.04573 0.00055 -0.02159 0.00692 -0.03785 256 4YY -0.01131 -0.00112 -0.05234 -0.04859 0.02200 257 4ZZ 0.01410 0.00220 -0.00113 -0.01761 0.03008 258 4XY 0.03654 -0.00447 0.00539 -0.00412 0.01064 259 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 261 27 C 1S -0.01009 -0.00355 0.00617 0.00410 -0.00712 262 2S 0.03047 0.23928 -0.41626 -0.15470 0.26825 263 2PX -0.12991 0.04750 0.07312 0.11306 -0.16439 264 2PY -0.29509 -0.07313 0.03730 0.16419 -0.30298 265 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 266 3S 0.60403 -0.90617 1.57641 0.59468 -1.03117 267 3PX 0.35245 -0.57794 -0.16882 -0.42225 0.08772 268 3PY 1.23721 0.17060 0.38113 -0.08728 0.52340 269 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 270 4XX 0.03102 -0.00311 -0.02752 -0.01621 0.02388 271 4YY -0.01870 0.01180 0.01240 0.01952 -0.02962 272 4ZZ 0.01146 0.01306 -0.02272 -0.02052 0.03557 273 4XY -0.03527 -0.02303 0.01810 0.03085 -0.05632 274 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 276 28 C 1S 0.00570 0.00092 0.00593 0.00815 -0.00296 277 2S 0.12359 0.34427 -0.21265 0.11267 0.39833 278 2PX -0.08156 0.25923 -0.13881 -0.00753 0.22155 279 2PY 0.12576 -0.00491 -0.02067 0.16030 -0.29609 280 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 281 3S -1.05667 -0.34895 -0.16834 -0.38642 -1.01663 282 3PX 0.24024 -1.14809 0.37207 -0.15615 -0.82262 283 3PY -0.86973 -0.03128 -0.44041 -0.72733 0.50844 284 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 285 4XX -0.01045 0.04075 -0.02680 0.01665 0.02690 286 4YY -0.00008 0.02342 -0.00992 0.01794 0.00123 287 4ZZ 0.00794 -0.00013 -0.00247 -0.01722 0.03031 288 4XY 0.00530 0.01250 -0.00373 -0.01557 0.04346 289 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 291 29 C 1S -0.00615 0.00689 -0.01415 -0.00903 0.00296 292 2S 0.17679 -0.26517 0.19376 0.02099 0.18844 293 2PX 0.19551 -0.10144 0.19005 0.12656 0.15530 294 2PY 0.05319 -0.02352 -0.08128 -0.04477 0.03002 295 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 296 3S -0.38729 -0.19585 0.26982 -0.19580 -0.70689 297 3PX -0.40231 0.30307 -0.91095 -1.01182 0.15909 298 3PY -0.92086 -0.62009 0.02846 -0.25129 -0.78173 299 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 300 4XX 0.01663 -0.04121 0.00718 -0.03420 -0.00166 301 4YY 0.00545 -0.02027 0.02179 0.01203 0.01511 302 4ZZ 0.00492 0.01120 0.00357 0.01650 0.00995 303 4XY 0.03104 0.05712 -0.01698 0.03875 0.01316 304 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 306 30 H 1S -0.07404 -0.06859 -0.11170 -0.15783 -0.09679 307 2S -0.13805 0.29243 0.35292 1.28418 -0.16611 308 31 H 1S 0.05759 -0.03418 0.06887 0.10417 -0.17427 309 2S -0.35481 0.46795 -0.36245 -0.38379 0.94102 310 32 H 1S -0.15373 -0.10323 0.17957 0.10990 -0.19057 311 2S 0.85205 0.17738 -0.30859 -0.44663 0.77445 312 33 H 1S -0.08687 -0.04231 0.06419 0.09866 -0.17744 313 2S -0.02008 0.07770 -0.58678 -0.62228 0.80348 314 34 H 1S 0.16311 0.13104 0.00307 0.16282 0.08814 315 2S -0.77609 -0.45212 -0.07509 -0.49938 -1.19471 161 162 163 164 165 (A')--V (A')--V (E')--V (E')--V (A')--V Eigenvalues -- 0.78052 0.80126 0.80645 0.80645 0.81086 1 1 C 1S -0.02034 0.00000 0.00000 -0.00000 -0.02314 2 2S -0.72205 0.00002 -0.00000 -0.00000 -0.91535 3 2PX -0.00000 -0.00000 -0.17751 -0.00009 0.00000 4 2PY -0.00000 -0.00000 0.00009 -0.17751 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 2.53882 -0.00006 -0.00000 0.00000 3.39696 7 3PX -0.00000 0.00000 0.73691 0.00035 -0.00000 8 3PY -0.00000 0.00000 -0.00035 0.73691 -0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.07753 0.00000 -0.00819 -0.00000 -0.05669 11 4YY -0.07753 0.00000 0.00819 0.00000 -0.05669 12 4ZZ 0.03637 0.00000 -0.00000 -0.00000 0.00447 13 4XY 0.00000 0.00000 -0.00000 0.00946 -0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.00402 -0.00000 0.00349 0.00000 0.00819 17 2S -0.26574 -0.00000 0.05062 0.00003 0.06110 18 2PX -0.15128 0.00000 -0.02984 -0.00001 -0.06652 19 2PY 0.00000 0.19840 0.00005 -0.09881 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S 1.47417 0.00001 -0.22855 -0.00012 -0.25151 22 3PX 1.31276 -0.00002 0.48889 0.00022 1.13044 23 3PY -0.00001 -0.65842 0.00018 -0.38867 -0.00002 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX -0.04002 -0.00000 0.00196 0.00000 -0.00570 26 4YY 0.01525 -0.00000 0.02332 0.00001 0.02622 27 4ZZ -0.00436 0.00000 -0.01184 -0.00001 -0.01234 28 4XY 0.00000 0.04441 -0.00000 0.00374 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00886 -0.00060 0.00479 0.01040 0.00561 32 2S 0.22269 0.45242 0.10612 0.42381 0.28537 33 2PX -0.09953 -0.11139 0.04567 0.08178 0.10756 34 2PY -0.10670 0.11008 -0.06865 0.03037 -0.19394 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -1.24279 -0.67410 -0.51100 -1.99089 -1.45890 37 3PX 0.05895 -0.20948 -0.17219 -1.08415 -0.73971 38 3PY 0.94398 -0.33160 0.17608 -0.58593 0.42424 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX 0.01556 0.01066 0.00296 -0.00145 -0.00721 41 4YY 0.00376 0.07075 0.02442 0.06551 0.05135 42 4ZZ 0.00570 -0.00950 -0.01016 -0.00685 -0.01421 43 4XY -0.00928 0.02075 -0.01174 -0.03072 -0.02733 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00624 0.00159 -0.00030 0.00511 -0.00504 47 2S 0.25471 0.03640 -0.05580 0.49914 -0.23141 48 2PX 0.10296 0.15821 0.06458 0.40529 0.12183 49 2PY 0.27037 -0.22848 -0.01026 -0.07483 -0.12455 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S -0.17300 -0.47025 0.23148 -1.83226 1.02984 52 3PX -0.39371 -0.89444 -0.33215 -2.75003 -0.94778 53 3PY -0.94303 1.00447 0.02426 1.09360 0.26316 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.02904 -0.00387 0.00323 0.05932 0.00424 56 4YY -0.00453 -0.00437 -0.00767 0.01117 -0.02855 57 4ZZ 0.02038 -0.00120 -0.00267 0.00091 -0.00538 58 4XY -0.01933 0.01326 0.01074 0.06074 0.02552 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S -0.00707 0.00000 -0.00372 -0.00000 -0.00886 62 2S 0.21009 0.00001 -0.21238 -0.00010 -0.51780 63 2PX 0.19787 0.00000 -0.07434 -0.00003 -0.15130 64 2PY -0.00000 -0.25416 0.00024 -0.51711 -0.00001 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -1.05872 -0.00004 0.60481 0.00030 1.56061 67 3PX 0.04399 -0.00001 0.21640 0.00010 0.44291 68 3PY 0.00000 1.41709 -0.00172 3.66342 0.00008 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.05791 0.00000 -0.01999 -0.00001 -0.05483 71 4YY 0.03860 0.00000 -0.01002 -0.00000 -0.02124 72 4ZZ 0.03138 -0.00000 -0.00247 -0.00000 -0.00089 73 4XY -0.00000 -0.05995 0.00004 -0.07799 -0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00624 -0.00159 -0.00030 -0.00511 -0.00504 77 2S 0.25471 -0.03639 -0.05532 -0.49920 -0.23143 78 2PX 0.10296 -0.15822 0.06496 -0.40522 0.12181 79 2PY -0.27037 -0.22849 0.01033 -0.07482 0.12454 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S -0.17301 0.47021 0.22975 1.83248 1.02990 82 3PX -0.39371 0.89449 -0.33474 2.74970 -0.94767 83 3PY 0.94304 1.00448 -0.02529 1.09356 -0.26310 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.02904 0.00387 0.00328 -0.05932 0.00424 86 4YY -0.00453 0.00438 -0.00766 -0.01118 -0.02855 87 4ZZ 0.02038 0.00120 -0.00267 -0.00091 -0.00538 88 4XY 0.01933 0.01326 -0.01079 0.06073 -0.02552 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00886 0.00060 0.00480 -0.01040 0.00561 92 2S 0.22269 -0.45244 0.10652 -0.42370 0.28534 93 2PX -0.09953 0.11139 0.04574 -0.08173 0.10756 94 2PY 0.10670 0.11007 0.06862 0.03043 0.19395 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -1.24280 0.67418 -0.51288 1.99039 -1.45882 97 3PX 0.05896 0.20952 -0.17320 1.08398 -0.73966 98 3PY -0.94398 -0.33159 -0.17553 -0.58608 -0.42429 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.01556 -0.01066 0.00296 0.00146 -0.00721 101 4YY 0.00376 -0.07075 0.02448 -0.06549 0.05134 102 4ZZ 0.00570 0.00950 -0.01016 0.00684 -0.01421 103 4XY 0.00928 0.02074 0.01177 -0.03071 0.02733 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.07815 0.00654 0.08032 -0.09240 0.21388 107 2S -0.27592 0.20183 -0.18235 -0.17844 -0.38846 108 9 H 1S -0.15932 0.01164 0.00057 0.01101 0.03032 109 2S 0.80943 0.24943 0.03008 -0.42401 -0.09823 110 10 H 1S -0.18434 -0.00000 0.02653 0.00001 0.03915 111 2S 0.41717 0.00001 -0.24935 -0.00012 -0.52582 112 11 H 1S -0.15932 -0.01164 0.00058 -0.01101 0.03032 113 2S 0.80942 -0.24943 0.02968 0.42404 -0.09823 114 12 H 1S 0.07815 -0.00656 0.08023 0.09248 0.21388 115 2S -0.27592 -0.20182 -0.18253 0.17827 -0.38843 116 13 C 1S -0.00402 -0.00000 -0.00175 0.00303 0.00819 117 2S -0.26574 -0.00000 -0.02534 0.04382 0.06110 118 2PX 0.07564 -0.17182 -0.08156 -0.02990 0.03326 119 2PY -0.13101 -0.09920 -0.02984 -0.04710 -0.05761 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 1.47417 0.00001 0.11438 -0.19787 -0.25151 122 3PX -0.65637 0.57021 -0.16911 -0.38007 -0.56520 123 3PY 1.13688 0.32919 -0.38012 0.26933 0.97900 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX 0.00143 0.03331 -0.01143 0.01416 0.01824 126 4YY -0.02621 -0.03331 -0.00122 0.00772 0.00228 127 4ZZ -0.00436 0.00000 0.00592 -0.01025 -0.01234 128 4XY 0.02763 -0.02221 -0.00373 0.01019 0.01596 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00886 0.00060 0.00661 0.00936 0.00561 132 2S 0.22269 -0.45244 0.31368 0.30410 0.28534 133 2PX -0.04264 -0.15102 0.02858 -0.07853 -0.22174 134 2PY -0.13955 0.04143 0.07182 0.04759 -0.00383 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -1.24280 0.67418 -1.46729 -1.43936 -1.45882 137 3PX 0.78804 0.18240 -0.08949 0.22386 0.73727 138 3PY 0.52305 0.34724 -1.03565 -0.66979 -0.42842 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.01367 -0.04017 0.04821 0.06008 0.05720 141 4YY 0.00565 -0.04124 -0.00647 -0.00430 -0.01307 142 4ZZ 0.00570 0.00950 -0.00084 -0.01222 -0.01421 143 4XY -0.01054 -0.04042 0.01325 0.01328 0.01561 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S -0.00624 -0.00159 0.00457 0.00230 -0.00504 147 2S 0.25471 -0.03639 0.45998 0.20169 -0.23143 148 2PX 0.18267 0.27699 -0.21087 -0.16958 -0.16876 149 2PY 0.22435 -0.02278 0.24598 0.20101 0.04322 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.17301 0.47021 -1.70185 -0.71728 1.02990 152 3PX -0.61985 -1.31715 1.91619 1.32486 0.70169 153 3PY -0.81248 0.27241 -1.45013 -1.15737 -0.68916 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.01837 0.01420 -0.01283 -0.02244 -0.03949 156 4YY 0.00615 -0.00595 0.07607 0.05390 0.01518 157 4ZZ 0.02038 0.00120 0.00213 -0.00186 -0.00538 158 4XY -0.02645 -0.00638 0.00549 0.00309 -0.00364 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.00707 0.00000 0.00186 -0.00322 -0.00886 162 2S 0.21009 0.00001 0.10628 -0.18387 -0.51780 163 2PX -0.09894 0.22010 -0.40633 -0.19192 0.07566 164 2PY 0.17136 0.12708 -0.19164 -0.18512 -0.13102 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -1.05872 -0.00004 -0.30267 0.52363 1.56061 167 3PX -0.02200 -1.22723 2.80096 1.49392 -0.22152 168 3PY 0.03809 -0.70855 1.49210 1.07886 0.38353 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.01447 -0.04496 0.05690 0.01844 -0.02964 171 4YY -0.03378 0.04496 -0.04188 -0.04442 -0.04644 172 4ZZ 0.03138 -0.00000 0.00124 -0.00214 -0.00089 173 4XY 0.04825 0.02997 -0.03626 -0.01519 0.01680 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.00624 0.00159 -0.00427 -0.00281 -0.00504 177 2S 0.25471 0.03640 -0.40437 -0.29789 -0.23141 178 2PX -0.28562 0.11877 0.13108 0.04865 0.04695 179 2PY -0.04602 0.25126 -0.36690 -0.14132 0.16778 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -0.17300 -0.47025 1.47104 1.11660 1.02984 182 3PX 1.01355 -0.42268 -0.44314 -0.08834 0.24598 183 3PY 0.13055 -1.27684 2.68596 1.20458 -0.95239 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.01063 0.00570 -0.06111 -0.03169 -0.00121 186 4YY 0.03515 -0.01394 0.00228 -0.00740 -0.02310 187 4ZZ 0.02038 -0.00120 0.00055 -0.00277 -0.00538 188 4XY -0.00712 -0.00688 0.05256 0.01786 -0.02916 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00886 -0.00060 -0.01141 -0.00105 0.00561 192 2S 0.22269 0.45242 -0.42009 -0.12001 0.28537 193 2PX 0.14217 -0.03964 0.03987 0.06531 0.11418 194 2PY -0.03285 -0.15151 -0.08512 0.03616 0.19012 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -1.24279 -0.67410 1.97966 0.55290 -1.45890 197 3PX -0.84699 0.39192 -0.87570 -0.58226 0.00245 198 3PY -0.42094 -0.01562 0.67798 0.11758 -0.85273 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX -0.00024 0.07128 -0.02740 -0.00399 0.01621 201 4YY 0.01957 0.01012 -0.04176 -0.00433 0.02792 202 4ZZ 0.00570 -0.00950 0.01101 -0.00537 -0.01421 203 4XY -0.00126 0.01967 -0.05060 -0.01005 0.04294 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.07815 -0.00656 -0.12021 0.02325 0.21388 207 2S -0.27592 -0.20182 -0.06313 -0.24721 -0.38843 208 20 H 1S -0.15932 -0.01164 0.00924 0.00600 0.03032 209 2S 0.80942 -0.24943 -0.38207 -0.18632 -0.09823 210 21 H 1S -0.18434 -0.00000 -0.01328 0.02297 0.03915 211 2S 0.41717 0.00001 0.12478 -0.21588 -0.52582 212 22 H 1S -0.15932 0.01164 -0.00982 -0.00501 0.03032 213 2S 0.80943 0.24943 0.35216 0.23806 -0.09823 214 23 H 1S 0.07815 0.00654 0.03986 0.11576 0.21388 215 2S -0.27592 0.20183 0.24571 -0.06870 -0.38846 216 24 C 1S -0.00402 -0.00000 -0.00175 -0.00303 0.00819 217 2S -0.26574 -0.00000 -0.02528 -0.04385 0.06110 218 2PX 0.07564 0.17182 -0.08159 0.02983 0.03326 219 2PY 0.13101 -0.09920 0.02989 -0.04707 0.05761 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S 1.47417 0.00001 0.11417 0.19799 -0.25151 222 3PX -0.65638 -0.57020 -0.16945 0.37992 -0.56524 223 3PY -1.13688 0.32922 0.37987 0.26968 -0.97898 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.00143 -0.03331 -0.01141 -0.01417 0.01824 226 4YY -0.02621 0.03331 -0.00121 -0.00773 0.00228 227 4ZZ -0.00436 0.00000 0.00591 0.01026 -0.01234 228 4XY -0.02763 -0.02221 0.00372 0.01019 -0.01596 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.00886 0.00060 -0.01141 0.00104 0.00561 232 2S 0.22269 -0.45244 -0.42020 0.11961 0.28534 233 2PX 0.14217 0.03963 0.03993 -0.06527 0.11419 234 2PY 0.03285 -0.15150 0.08509 0.03624 -0.19012 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -1.24280 0.67418 1.98017 -0.55103 -1.45882 237 3PX -0.84699 -0.39192 -0.87623 0.58143 0.00238 238 3PY 0.42094 -0.01565 -0.67808 0.11695 0.85271 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX -0.00025 -0.07129 -0.02741 0.00396 0.01621 241 4YY 0.01957 -0.01012 -0.04176 0.00429 0.02792 242 4ZZ 0.00570 0.00950 0.01100 0.00538 -0.01421 243 4XY 0.00126 0.01967 0.05061 -0.01000 -0.04294 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S -0.00624 -0.00159 -0.00428 0.00281 -0.00504 247 2S 0.25471 -0.03639 -0.40466 0.29751 -0.23143 248 2PX -0.28563 -0.11876 0.13112 -0.04853 0.04695 249 2PY 0.04602 0.25127 0.36703 -0.14098 -0.16776 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.17301 0.47021 1.47210 -1.11521 1.02990 252 3PX 1.01355 0.42266 -0.44322 0.08792 0.24599 253 3PY -0.13056 -1.27689 -2.68707 1.20204 0.95226 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX -0.01063 -0.00570 -0.06114 0.03163 -0.00122 256 4YY 0.03515 0.01394 0.00227 0.00740 -0.02310 257 4ZZ 0.02038 0.00120 0.00055 0.00277 -0.00538 258 4XY 0.00712 -0.00689 -0.05257 0.01781 0.02915 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S -0.00707 0.00000 0.00186 0.00322 -0.00886 262 2S 0.21009 0.00001 0.10610 0.18398 -0.51780 263 2PX -0.09894 -0.22011 -0.40651 0.19154 0.07564 264 2PY -0.17136 0.12708 0.19181 -0.18494 0.13103 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -1.05872 -0.00004 -0.30214 -0.52393 1.56061 267 3PX -0.02199 1.22724 2.80237 -1.49129 -0.22139 268 3PY -0.03809 -0.70853 -1.49311 1.07745 -0.38361 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX 0.01447 0.04496 0.05692 -0.01838 -0.02964 271 4YY -0.03378 -0.04496 -0.04193 0.04438 -0.04644 272 4ZZ 0.03138 -0.00000 0.00123 0.00214 -0.00089 273 4XY -0.04825 0.02997 0.03627 -0.01516 -0.01679 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.00624 0.00159 0.00457 -0.00229 -0.00504 277 2S 0.25471 0.03640 0.46017 -0.20125 -0.23141 278 2PX 0.18266 -0.27698 -0.21103 0.16938 -0.16878 279 2PY -0.22435 -0.02277 -0.24617 0.20078 -0.04323 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.17300 -0.47025 -1.70253 0.71566 1.02984 282 3PX -0.61984 1.31712 1.91745 -1.32307 0.70180 283 3PY 0.81248 0.27237 1.45122 -1.15601 0.68922 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX 0.01837 -0.01419 -0.01285 0.02243 -0.03950 286 4YY 0.00615 0.00595 0.07612 -0.05383 0.01518 287 4ZZ 0.02038 -0.00120 0.00212 0.00186 -0.00538 288 4XY 0.02645 -0.00638 -0.00549 0.00308 0.00364 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00886 -0.00060 0.00661 -0.00935 0.00561 292 2S 0.22269 0.45242 0.31397 -0.30381 0.28537 293 2PX -0.04263 0.15103 0.02851 0.07856 -0.22173 294 2PY 0.13955 0.04142 -0.07187 0.04752 0.00382 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -1.24279 -0.67410 -1.46866 1.43799 -1.45890 297 3PX 0.78804 -0.18243 -0.08929 -0.22395 0.73726 298 3PY -0.52304 0.34722 1.03629 -0.66883 0.42849 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.01367 0.04017 0.04826 -0.06003 0.05720 301 4YY 0.00566 0.04124 -0.00648 0.00429 -0.01307 302 4ZZ 0.00570 -0.00950 -0.00085 0.01222 -0.01421 303 4XY 0.01054 -0.04042 -0.01326 0.01327 -0.01562 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.07815 -0.00656 0.03997 -0.11573 0.21388 307 2S -0.27592 -0.20182 0.24565 0.06894 -0.38843 308 31 H 1S -0.15932 -0.01164 -0.00982 0.00500 0.03032 309 2S 0.80942 -0.24943 0.35239 -0.23772 -0.09823 310 32 H 1S -0.18434 -0.00000 -0.01326 -0.02299 0.03915 311 2S 0.41717 0.00001 0.12457 0.21600 -0.52582 312 33 H 1S -0.15932 0.01164 0.00925 -0.00599 0.03032 313 2S 0.80943 0.24943 -0.38224 0.18595 -0.09823 314 34 H 1S 0.07815 0.00654 -0.12018 -0.02336 0.21388 315 2S -0.27592 0.20183 -0.06336 0.24714 -0.38846 166 167 168 169 170 (A')--V (A')--V (E')--V (E')--V (A')--V Eigenvalues -- 0.81835 0.86868 0.86935 0.86935 0.93796 1 1 C 1S 0.00000 -0.04637 -0.00000 0.00000 -0.00000 2 2S 0.00002 -0.43837 -0.00000 0.00000 -0.00000 3 2PX 0.00000 0.00000 -0.25195 0.00360 0.00000 4 2PY 0.00000 -0.00000 -0.00360 -0.25195 -0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.00009 4.41479 0.00000 -0.00000 -0.00000 7 3PX -0.00000 0.00000 0.01091 -0.00016 0.00000 8 3PY -0.00000 -0.00000 0.00016 0.01091 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00000 -0.03412 -0.04164 0.00059 -0.00000 11 4YY 0.00000 -0.03412 0.04164 -0.00059 -0.00000 12 4ZZ -0.00000 0.02951 0.00000 -0.00000 0.00000 13 4XY 0.00000 0.00000 0.00069 0.04809 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.00000 -0.01284 -0.00018 0.00000 0.00000 17 2S 0.00000 -0.23937 -0.25580 0.00366 0.00000 18 2PX 0.00000 -0.26117 0.09756 -0.00139 0.00000 19 2PY -0.14020 0.00000 -0.00257 -0.18004 -0.23704 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S -0.00000 1.60352 -0.64687 0.00922 -0.00000 22 3PX -0.00004 2.56281 -0.51727 0.00738 -0.00001 23 3PY -0.54170 -0.00002 0.01924 1.34709 2.00255 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX 0.00000 -0.04220 -0.04688 0.00067 0.00000 26 4YY -0.00000 -0.02275 -0.00047 0.00001 0.00000 27 4ZZ -0.00000 0.03572 0.00421 -0.00006 -0.00000 28 4XY -0.05863 -0.00000 0.00055 0.03856 0.03946 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.00194 -0.00416 0.01901 0.00965 -0.00395 32 2S 0.03077 -0.27112 0.48990 0.17922 0.17721 33 2PX 0.17232 -0.08055 0.16708 -0.17404 -0.13857 34 2PY 0.11872 -0.28758 0.08751 -0.16637 -0.00629 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -1.15008 -0.16173 -2.21046 -0.25138 0.17857 37 3PX -1.24271 0.06978 -1.09763 1.20765 2.12604 38 3PY -1.03873 1.73194 -1.00969 0.91777 0.42443 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX -0.00482 -0.02066 0.01882 0.00296 0.07168 41 4YY -0.02493 -0.05041 0.04906 0.04918 -0.05607 42 4ZZ 0.01607 0.00835 -0.00579 -0.01775 -0.00001 43 4XY -0.01515 -0.01769 -0.02153 -0.02394 0.02841 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00660 -0.00944 0.00153 -0.00829 0.01529 47 2S 0.44053 -0.09309 0.11499 -0.23882 0.41100 48 2PX 0.21699 -0.22355 0.21098 -0.09259 -0.15579 49 2PY 0.05932 -0.07970 0.01195 0.02480 -0.09116 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S -1.14774 0.92816 0.31287 0.48072 -1.15121 52 3PX -1.87352 0.55610 -1.54668 0.98315 2.25002 53 3PY 0.50156 -0.68896 0.54046 -0.45991 -0.12559 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.06336 -0.03006 0.06381 -0.03553 0.02965 56 4YY 0.01185 0.03678 -0.04166 -0.00543 0.03411 57 4ZZ -0.00184 -0.01316 0.00486 0.00500 -0.02187 58 4XY 0.03892 0.00318 0.01672 -0.01440 -0.02898 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.01188 -0.02333 0.00033 0.00000 62 2S 0.00001 0.47158 -0.77732 0.01109 0.00001 63 2PX 0.00000 -0.03650 -0.03795 0.00054 0.00000 64 2PY -0.29954 -0.00000 0.00231 0.16178 0.05003 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.00002 -2.31525 3.08802 -0.04406 -0.00003 67 3PX -0.00001 0.50161 0.17050 -0.00244 -0.00000 68 3PY 2.36716 0.00001 -0.01812 -1.26857 -1.67507 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX 0.00000 0.05531 -0.13177 0.00188 0.00000 71 4YY 0.00000 -0.00181 0.00350 -0.00005 -0.00000 72 4ZZ -0.00000 -0.00247 0.01861 -0.00027 -0.00000 73 4XY -0.03217 0.00000 0.00037 0.02576 -0.02912 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00660 -0.00944 0.00177 0.00824 -0.01529 77 2S -0.44052 -0.09309 0.12177 0.23544 -0.41101 78 2PX -0.21699 -0.22355 0.21354 0.08654 0.15579 79 2PY 0.05931 0.07970 -0.01123 0.02513 -0.09116 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 1.14769 0.92816 0.29899 -0.48945 1.15122 82 3PX 1.87355 0.55612 -1.57413 -0.93862 -2.25000 83 3PY 0.50157 0.68896 -0.55338 -0.44431 -0.12558 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX -0.06336 -0.03006 0.06480 0.03370 -0.02965 86 4YY -0.01185 0.03678 -0.04149 0.00661 -0.03411 87 4ZZ 0.00184 -0.01316 0.00471 -0.00513 0.02187 88 4XY 0.03893 -0.00318 -0.01713 -0.01391 -0.02898 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00194 -0.00416 0.01873 -0.01019 0.00395 92 2S -0.03078 -0.27111 0.48458 -0.19313 -0.17721 93 2PX -0.17233 -0.08055 0.17198 0.16920 0.13857 94 2PY 0.11871 0.28758 -0.09222 -0.16380 -0.00629 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 1.15013 -0.16174 -2.20237 0.31436 -0.17855 97 3PX 1.24273 0.06981 -1.13167 -1.17585 -2.12603 98 3PY -1.03870 -1.73196 1.03550 0.88859 0.42443 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.00482 -0.02066 0.01873 -0.00350 -0.07168 101 4YY 0.02493 -0.05041 0.04764 -0.05056 0.05607 102 4ZZ -0.01607 0.00835 -0.00528 0.01791 0.00001 103 4XY -0.01515 0.01769 0.02084 -0.02454 0.02841 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.06477 0.13398 0.08267 -0.19876 0.28509 107 2S -1.08882 -0.96099 1.20104 0.65006 -0.98983 108 9 H 1S -0.04023 0.06016 -0.02648 0.06939 0.10675 109 2S -0.41253 -0.10836 0.21250 0.08737 0.31896 110 10 H 1S -0.00000 0.01910 -0.17535 0.00250 0.00000 111 2S 0.00001 0.04342 -0.38588 0.00551 0.00000 112 11 H 1S 0.04023 0.06016 -0.02845 -0.06861 -0.10675 113 2S 0.41253 -0.10835 0.20992 -0.09340 -0.31896 114 12 H 1S -0.06478 0.13398 0.08832 0.19632 -0.28509 115 2S 1.08884 -0.96098 1.18198 -0.68408 0.98983 116 13 C 1S -0.00000 -0.01284 0.00009 -0.00015 0.00000 117 2S 0.00000 -0.23937 0.12473 -0.22335 0.00000 118 2PX 0.12141 0.13058 -0.11236 -0.11862 0.20528 119 2PY 0.07010 -0.22618 -0.11980 0.02987 0.11852 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S -0.00000 1.60352 0.31545 -0.56482 -0.00000 122 3PX 0.46915 -1.28139 0.89253 0.79470 -1.73426 123 3PY 0.27082 2.21947 0.80657 -0.06270 -1.00128 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.04397 -0.02761 -0.01936 -0.02464 0.02960 126 4YY 0.04397 -0.03733 0.04245 -0.01670 -0.02959 127 4ZZ -0.00000 0.03572 -0.00205 0.00367 -0.00000 128 4XY 0.02931 0.00972 0.00552 0.02966 -0.01973 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00194 -0.00416 -0.00054 0.02131 0.00395 132 2S -0.03078 -0.27111 -0.07503 0.51622 -0.17721 133 2PX -0.01664 -0.20878 -0.04652 -0.03393 -0.06384 134 2PY -0.20859 -0.21355 -0.29536 0.05470 0.12315 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 1.15013 -0.16174 0.82894 -2.06448 -0.17855 137 3PX 0.27818 1.46501 0.32275 -0.19579 0.69545 138 3PY 1.59559 0.92644 2.01556 -0.56584 -2.05341 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00854 -0.02970 0.02152 0.07713 0.04544 141 4YY 0.02121 -0.04136 -0.00788 0.00737 -0.06105 142 4ZZ -0.01607 0.00835 -0.01287 -0.01353 0.00001 143 4XY 0.01763 -0.02372 0.00773 0.00912 0.04967 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S -0.00660 -0.00944 -0.00802 -0.00259 -0.01529 147 2S -0.44052 -0.09309 -0.26478 -0.01227 -0.41101 148 2PX 0.05713 0.04276 0.10484 -0.05153 0.00105 149 2PY -0.21758 -0.23345 -0.14930 0.13383 0.18050 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 1.14769 0.92816 0.27438 0.50366 1.15122 152 3PX -1.37115 -0.87472 -1.37282 0.66961 1.23376 153 3PY 1.37175 0.13714 1.05485 -0.64562 -1.88577 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00447 0.01768 0.01133 -0.02552 -0.05474 156 4YY -0.07967 -0.01096 -0.05789 0.02555 -0.00903 157 4ZZ 0.00184 -0.01316 0.00209 0.00665 0.02187 158 4XY 0.00629 0.03501 0.02799 -0.03532 0.01226 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.01188 0.01138 -0.02037 0.00000 162 2S 0.00001 0.47158 0.37906 -0.67873 0.00001 163 2PX 0.25940 0.01825 0.11309 0.08489 -0.04333 164 2PY 0.14977 -0.03161 0.08666 0.01075 -0.02502 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.00002 -2.31525 -1.50585 2.69633 -0.00003 167 3PX -2.05001 -0.25082 -0.91770 -0.61015 1.45065 168 3PY -1.18358 0.43440 -0.62584 -0.18037 0.83753 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX -0.02413 0.01247 -0.00209 -0.03589 -0.02184 171 4YY 0.02413 0.04103 0.06464 -0.07610 0.02184 172 4ZZ -0.00000 -0.00247 -0.00908 0.01625 -0.00000 173 4XY 0.01608 -0.02856 -0.02173 0.06534 0.01456 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00660 -0.00944 0.00641 0.00547 0.01529 177 2S 0.44053 -0.09309 0.14933 0.21899 0.41100 178 2PX -0.15987 0.18079 0.03642 -0.11273 0.15684 179 2PY 0.15826 -0.15375 -0.00819 0.19935 -0.08934 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -1.14774 0.92816 -0.57275 0.03059 -1.15121 182 3PX 0.50239 0.31861 -0.07186 0.31103 -1.01624 183 3PY -1.87330 0.82607 -0.13166 -1.93473 2.01137 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.05392 0.02246 0.02195 0.00949 0.01126 186 4YY 0.02129 -0.01573 0.00245 0.03017 0.05250 187 4ZZ -0.00184 -0.01316 -0.00676 0.00171 -0.02187 188 4XY -0.04521 0.03183 0.01128 -0.06404 0.01672 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S -0.00194 -0.00416 -0.01786 0.01164 -0.00395 192 2S 0.03077 -0.27112 -0.40016 0.33465 0.17721 193 2PX -0.18897 0.28933 -0.12048 -0.25353 0.07473 194 2PY 0.08988 0.07403 0.00802 0.12119 -0.11686 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -1.15008 -0.16173 1.32293 -1.78862 0.17857 197 3PX 1.52092 -1.53479 0.49963 1.93188 -1.43059 198 3PY -0.55685 -0.80553 -0.28546 -0.67950 1.62899 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX -0.03127 -0.05624 -0.02971 0.01212 -0.00282 201 4YY 0.00151 -0.01483 -0.04939 0.02059 0.01843 202 4ZZ 0.01607 0.00835 0.01827 0.00386 -0.00001 203 4XY -0.00248 -0.00603 -0.04332 0.00488 -0.07808 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.06478 0.13398 -0.21418 -0.02168 -0.28509 207 2S 1.08884 -0.96098 0.00144 1.36566 0.98983 208 20 H 1S 0.04023 0.06016 0.07364 0.00966 -0.10675 209 2S 0.41253 -0.10835 -0.02407 0.22850 -0.31896 210 21 H 1S -0.00000 0.01910 0.08551 -0.15310 0.00000 211 2S 0.00001 0.04342 0.18817 -0.33694 0.00000 212 22 H 1S -0.04023 0.06016 -0.04685 -0.05763 0.10675 213 2S -0.41253 -0.10836 -0.18192 0.14035 0.31896 214 23 H 1S 0.06477 0.13398 0.13080 0.17098 0.28509 215 2S -1.08882 -0.96099 -1.16349 0.71510 -0.98983 216 24 C 1S -0.00000 -0.01284 0.00009 0.00015 0.00000 217 2S 0.00000 -0.23937 0.13106 0.21970 0.00000 218 2PX -0.12142 0.13058 -0.10892 0.12178 -0.20528 219 2PY 0.07010 0.22618 0.12060 0.02644 0.11852 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.00000 1.60352 0.33142 0.55560 -0.00000 222 3PX -0.46911 -1.28142 0.86947 -0.81988 1.73427 223 3PY 0.27088 -2.21945 -0.80801 -0.03965 -1.00127 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.04397 -0.02761 -0.01865 0.02519 -0.02959 226 4YY -0.04397 -0.03734 0.04291 0.01548 0.02960 227 4ZZ -0.00000 0.03572 -0.00216 -0.00361 -0.00000 228 4XY 0.02931 -0.00972 -0.00467 0.02981 -0.01973 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.00194 -0.00416 -0.01818 -0.01112 0.00395 232 2S -0.03078 -0.27111 -0.40955 -0.32309 -0.17721 233 2PX 0.18897 0.28933 -0.11319 0.25687 -0.07473 234 2PY 0.08989 -0.07403 -0.00456 0.12137 -0.11686 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S 1.15013 -0.16174 1.37343 1.75012 -0.17855 237 3PX -1.52091 -1.53483 0.44429 -1.94539 1.43058 238 3PY -0.55689 0.80552 0.26597 -0.68738 1.62898 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.03127 -0.05624 -0.03004 -0.01127 0.00282 241 4YY -0.00151 -0.01483 -0.04995 -0.01918 -0.01843 242 4ZZ -0.01607 0.00835 0.01815 -0.00438 0.00001 243 4XY -0.00248 0.00603 0.04344 0.00364 -0.07808 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S -0.00660 -0.00944 0.00625 -0.00566 -0.01529 247 2S -0.44052 -0.09309 0.14301 -0.22317 -0.41101 248 2PX 0.15986 0.18080 0.03963 0.11165 -0.15684 249 2PY 0.15827 0.15375 0.01387 0.19904 -0.08934 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 1.14769 0.92816 -0.57337 -0.01421 1.15122 252 3PX -0.50240 0.31860 -0.08071 -0.30885 1.01625 253 3PY -1.87332 -0.82610 0.07639 -1.93773 2.01135 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX -0.05392 0.02246 0.02166 -0.01011 -0.01126 256 4YY -0.02129 -0.01573 0.00159 -0.03023 -0.05250 257 4ZZ 0.00184 -0.01316 -0.00680 -0.00151 0.02187 258 4XY -0.04522 -0.03183 -0.01310 -0.06369 0.01672 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.01188 0.01195 0.02004 0.00000 262 2S 0.00001 0.47158 0.39827 0.66764 0.00001 263 2PX -0.25941 0.01825 0.11062 -0.08808 0.04333 264 2PY 0.14977 0.03161 -0.08632 0.01322 -0.02502 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.00002 -2.31525 -1.58216 -2.65227 -0.00003 267 3PX 2.05002 -0.25080 -0.89990 0.63612 -1.45065 268 3PY -1.18357 -0.43441 0.62043 -0.19817 0.83754 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX 0.02413 0.01247 -0.00106 0.03594 0.02184 271 4YY -0.02413 0.04103 0.06678 0.07423 -0.02184 272 4ZZ -0.00000 -0.00247 -0.00953 -0.01598 -0.00000 273 4XY 0.01608 0.02856 0.02359 0.06469 0.01456 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00660 -0.00944 -0.00795 0.00282 0.01529 277 2S 0.44053 -0.09309 -0.26432 0.01983 0.41100 278 2PX -0.05713 0.04276 0.10626 0.04851 -0.00105 279 2PY -0.21758 0.23345 0.15305 0.12952 0.18050 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -1.14774 0.92816 0.25988 -0.51131 -1.15121 282 3PX 1.37113 -0.87471 -1.39135 -0.63015 -1.23378 283 3PY 1.37173 -0.13711 -1.07283 -0.61525 -1.88578 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.00447 0.01768 0.01205 0.02519 0.05474 286 4YY 0.07967 -0.01096 -0.05860 -0.02388 0.00903 287 4ZZ -0.00184 -0.01316 0.00190 -0.00670 -0.02187 288 4XY 0.00629 -0.03501 -0.02899 -0.03450 0.01226 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.00194 -0.00416 -0.00115 -0.02129 -0.00395 292 2S 0.03077 -0.27112 -0.08974 -0.51388 0.17721 293 2PX 0.01665 -0.20878 -0.04553 0.03525 0.06384 294 2PY -0.20860 0.21355 0.29679 0.04625 0.12315 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -1.15008 -0.16173 0.88753 2.04000 0.17857 297 3PX -0.27822 1.46501 0.32820 0.18649 -0.69545 298 3PY 1.59558 -0.92640 -2.03085 -0.50807 -2.05342 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX -0.00854 -0.02970 0.01931 -0.07772 -0.04544 301 4YY -0.02121 -0.04136 -0.00809 -0.00714 0.06105 302 4ZZ 0.01607 0.00835 -0.01248 0.01389 -0.00001 303 4XY 0.01763 0.02372 -0.00747 0.00934 0.04967 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.06478 0.13398 0.12586 -0.17465 -0.28509 307 2S 1.08884 -0.96098 -1.18342 -0.68159 0.98983 308 31 H 1S 0.04023 0.06016 -0.04519 0.05894 -0.10675 309 2S 0.41253 -0.10835 -0.18585 -0.13509 -0.31896 310 32 H 1S -0.00000 0.01910 0.08984 0.15060 0.00000 311 2S 0.00001 0.04342 0.19771 0.33143 0.00000 312 33 H 1S -0.04023 0.06016 0.07333 -0.01176 0.10675 313 2S -0.41253 -0.10836 -0.03058 -0.22772 0.31896 314 34 H 1S 0.06477 0.13398 -0.21347 0.02779 0.28509 315 2S -1.08882 -0.96099 -0.03755 -1.36516 -0.98983 171 172 173 174 175 (E')--V (E')--V (E')--V (E')--V (A')--V Eigenvalues -- 0.94182 0.94182 0.95636 0.95636 0.96618 1 1 C 1S 0.00000 -0.00000 0.00000 0.00000 -0.00934 2 2S -0.00000 -0.00000 -0.00000 -0.00000 0.36226 3 2PX -0.00048 0.50255 -0.11110 -0.00144 -0.00000 4 2PY 0.50255 0.00048 0.00144 -0.11110 0.00000 5 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.00000 0.00000 -0.00000 -0.00000 1.47658 7 3PX 0.00077 -0.81977 0.69226 0.00897 0.00000 8 3PY -0.81977 -0.00077 -0.00897 0.69226 -0.00000 9 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.00004 0.04393 -0.04579 -0.00059 0.03610 11 4YY 0.00004 -0.04393 0.04579 0.00059 0.03610 12 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00602 13 4XY -0.05072 -0.00005 -0.00069 0.05287 0.00000 14 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00001 -0.00629 -0.00705 -0.00009 -0.01863 17 2S 0.00010 -0.11476 -0.25779 -0.00335 -0.42347 18 2PX -0.00005 0.05236 -0.10469 -0.00136 -0.24831 19 2PY 0.34444 0.00032 -0.00218 0.16765 -0.00000 20 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 21 3S 0.00090 -0.94374 -0.12529 -0.00162 0.57020 22 3PX 0.00037 -0.39994 -0.05914 -0.00076 1.39935 23 3PY -1.37623 -0.00129 0.01962 -1.51216 0.00001 24 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX -0.00003 0.02784 -0.06657 -0.00086 -0.02835 26 4YY 0.00008 -0.08612 -0.00645 -0.00008 -0.06449 27 4ZZ -0.00003 0.03242 0.01921 0.00025 0.04556 28 4XY -0.00800 -0.00001 0.00103 -0.07939 -0.00000 29 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.01484 0.00956 0.00389 -0.01322 0.01173 32 2S -0.20886 0.02836 0.23322 -0.44607 0.05407 33 2PX 0.07493 0.18887 -0.19426 0.01284 -0.03472 34 2PY 0.12088 0.18185 0.17945 0.22653 0.12400 35 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 1.29053 -1.10692 -0.54656 0.26745 -1.50499 37 3PX -0.54489 -1.44354 0.62540 -1.03477 -0.59300 38 3PY -0.37315 -0.98089 -0.84013 -1.31908 -0.16868 39 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX 0.01553 -0.00618 0.03693 -0.08038 0.00723 41 4YY -0.05053 -0.01508 -0.01151 -0.02011 -0.02941 42 4ZZ 0.01198 0.01901 0.00695 0.04033 0.01454 43 4XY 0.05133 -0.02546 0.00436 -0.02196 -0.04450 44 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.01199 0.00119 0.00760 -0.00526 0.00098 47 2S 0.26681 0.22813 0.20809 -0.19611 0.31539 48 2PX 0.03537 0.06694 -0.04203 0.15272 -0.05180 49 2PY -0.08864 -0.11509 -0.00804 0.23425 -0.14508 50 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 51 3S -0.76544 0.27776 -0.74855 -0.28529 0.02803 52 3PX -0.13793 -1.41295 0.17259 -1.92033 -0.92919 53 3PY 0.41129 0.75670 0.47597 -0.13482 0.58680 54 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.01683 0.05585 0.01170 -0.04751 0.03640 56 4YY 0.01502 -0.02579 0.02195 -0.00384 0.01412 57 4ZZ -0.00636 0.00605 -0.01176 0.03335 -0.00958 58 4XY -0.00409 0.00123 -0.00933 0.03774 -0.00099 59 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00002 -0.02188 -0.00079 -0.00001 -0.01536 62 2S 0.00057 -0.61280 -0.03179 -0.00042 -0.36764 63 2PX 0.00007 -0.08144 -0.07403 -0.00096 -0.17067 64 2PY -0.10539 -0.00010 0.00007 -0.00562 0.00000 65 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.00283 3.03106 0.84810 0.01103 2.26461 67 3PX -0.00029 0.31683 0.06650 0.00087 0.70618 68 3PY 0.58940 0.00055 -0.02367 1.82465 -0.00001 69 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX 0.00011 -0.12207 -0.00091 -0.00001 -0.08886 71 4YY -0.00002 0.02532 0.02311 0.00030 0.04361 72 4ZZ -0.00002 0.01775 -0.02307 -0.00030 -0.00706 73 4XY -0.03925 -0.00004 -0.00046 0.03561 -0.00000 74 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.01200 0.00117 0.00746 0.00545 0.00098 77 2S -0.26723 0.22762 0.20294 0.20145 0.31538 78 2PX -0.03549 0.06688 -0.03806 -0.15376 -0.05180 79 2PY -0.08885 0.11492 0.00196 0.23438 0.14508 80 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.76489 0.27922 -0.75571 0.26578 0.02805 82 3PX 0.14058 -1.41272 0.12274 1.92413 -0.92923 83 3PY 0.41270 -0.75592 -0.47232 -0.14713 -0.58680 84 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX -0.01693 0.05582 0.01046 0.04780 0.03640 86 4YY -0.01497 -0.02582 0.02184 0.00441 0.01412 87 4ZZ 0.00635 0.00606 -0.01089 -0.03364 -0.00958 88 4XY -0.00409 -0.00124 0.00835 0.03796 0.00098 89 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.01483 0.00958 0.00355 0.01331 0.01173 92 2S 0.20881 0.02875 0.22156 0.45197 0.05407 93 2PX -0.07529 0.18873 -0.19386 -0.01787 -0.03472 94 2PY 0.12122 -0.18163 -0.18526 0.22180 -0.12400 95 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -1.28848 -1.10936 -0.53942 -0.28156 -1.50500 97 3PX 0.54763 -1.44253 0.59835 1.05062 -0.59304 98 3PY -0.37497 0.98018 0.87405 -1.29684 0.16868 99 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX -0.01552 -0.00621 0.03483 0.08131 0.00723 101 4YY 0.05056 -0.01498 -0.01203 0.01981 -0.02941 102 4ZZ -0.01202 0.01899 0.00799 -0.04014 0.01454 103 4XY 0.05128 0.02556 -0.00379 -0.02206 0.04451 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.28672 -0.08722 -0.05420 -0.23201 0.04399 107 2S 0.06956 0.62977 1.07381 -0.02163 0.12721 108 9 H 1S -0.04208 0.04793 -0.05437 -0.24881 0.02672 109 2S 0.04123 0.04177 -0.12438 -0.50449 -0.02826 110 10 H 1S 0.00026 -0.27578 -0.10759 -0.00140 -0.32347 111 2S 0.00037 -0.40010 -0.14152 -0.00184 -0.52722 112 11 H 1S 0.04199 0.04801 -0.06080 0.24731 0.02672 113 2S -0.04131 0.04169 -0.13743 0.50109 -0.02826 114 12 H 1S -0.28656 -0.08777 -0.06020 0.23052 0.04398 115 2S -0.07070 0.62966 1.07289 0.04947 0.12724 116 13 C 1S -0.00545 0.00314 0.00361 -0.00606 -0.01863 117 2S -0.09944 0.05729 0.13179 -0.22158 -0.42347 118 2PX 0.12622 0.27154 0.09803 0.11922 0.12416 119 2PY 0.12526 0.12660 0.11840 -0.03508 -0.21504 120 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 121 3S -0.81775 0.47109 0.06405 -0.10769 0.57020 122 3PX -0.42168 -1.13255 -1.14074 -0.64408 -0.69968 123 3PY -0.64361 -0.42335 -0.62370 -0.43056 1.21187 124 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.04694 0.03397 0.06216 0.01198 -0.05545 126 4YY -0.00356 -0.00487 -0.02483 -0.07474 -0.03739 127 4ZZ 0.02809 -0.01618 -0.00982 0.01651 0.04556 128 4XY -0.05137 0.02498 -0.04949 0.00555 -0.01807 129 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00089 -0.01763 -0.01330 -0.00358 0.01173 132 2S -0.07950 -0.19521 -0.50220 -0.03411 0.05407 133 2PX 0.08816 0.02685 0.02992 0.31446 0.12474 134 2PY 0.28310 -0.01817 0.14708 -0.00199 0.03193 135 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -0.31649 1.67053 0.51355 -0.32637 -1.50500 137 3PX -0.13596 0.01970 0.01036 -1.21352 0.15044 138 3PY -1.83720 0.29659 -1.39009 -0.70885 -0.59793 139 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX -0.03073 -0.06598 -0.01456 -0.01205 0.01313 141 4YY -0.00515 0.04623 -0.08441 -0.01876 -0.03531 142 4ZZ 0.02245 0.00092 0.03077 0.02699 0.01454 143 4XY -0.01856 0.00218 0.02785 -0.00879 -0.04057 144 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00701 0.00980 -0.00845 0.00373 0.00098 147 2S 0.33074 0.11761 -0.27593 0.07503 0.31538 148 2PX -0.16250 -0.01553 0.10054 0.07806 -0.09974 149 2PY -0.00645 -0.01208 0.23378 0.09578 -0.11740 150 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.14063 -0.80202 0.14769 -0.78736 0.02805 152 3PX 1.39252 -0.31010 0.54899 0.71842 0.97280 153 3PY -0.68991 0.49601 -1.67804 -0.57339 -0.51133 154 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00377 0.01922 -0.05050 0.00001 0.02043 156 4YY 0.03816 -0.00658 -0.01087 0.00186 0.03009 157 4ZZ 0.00207 -0.00853 0.03458 0.00739 -0.00958 158 4XY -0.03633 0.01748 0.03447 0.02165 -0.01163 159 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.01896 0.01092 0.00040 -0.00068 -0.01536 162 2S -0.53099 0.30590 0.01626 -0.02732 -0.36764 163 2PX -0.01028 -0.09942 -0.02310 0.02933 0.08534 164 2PY -0.08742 -0.01045 0.03036 -0.05654 -0.14781 165 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 2.62638 -1.51308 -0.43360 0.72896 2.26461 167 3PX 0.11754 0.52137 1.37524 0.77927 -0.35308 168 3PY 0.38487 0.11838 0.75473 0.51591 0.61157 169 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00471 0.03126 -0.03170 0.00105 0.01049 171 4YY -0.08854 0.01703 0.02035 0.01803 -0.05574 172 4ZZ 0.01538 -0.00886 0.01180 -0.01983 -0.00706 173 4XY 0.05406 -0.05379 0.00916 0.01942 0.06623 174 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.00496 -0.01098 0.00075 0.00921 0.00098 177 2S 0.06417 -0.34513 0.06579 0.27827 0.31539 178 2PX 0.02779 -0.08426 0.22783 0.16384 0.15154 179 2PY 0.06257 -0.12266 0.00308 -0.03561 0.02768 180 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.62327 0.52401 0.62134 -0.50562 0.02803 182 3PX 0.18791 0.22317 -0.68339 -0.97018 -0.04358 183 3PY -1.22483 1.08254 1.42612 0.72116 -1.09810 184 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.01006 -0.00852 -0.01792 0.00396 0.01895 186 4YY 0.02017 -0.03410 0.04557 0.05086 0.03157 187 4ZZ 0.00842 0.00249 -0.02300 -0.02685 -0.00958 188 4XY -0.03646 0.01973 -0.00747 0.00700 -0.01065 189 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.01570 0.00808 0.00950 0.00998 0.01173 192 2S 0.12899 0.16669 0.26970 0.42501 0.05407 193 2PX -0.14710 0.24907 0.20459 0.05084 -0.09003 194 2PY 0.06068 -0.04017 0.21744 -0.17233 -0.09207 195 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -1.60388 -0.56417 0.04166 -0.60706 -1.50499 197 3PX 1.06293 -1.30143 -1.64481 -0.47058 0.44258 198 3PY -0.51526 0.62694 -0.27594 0.95113 -0.42922 199 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX -0.02991 0.01209 0.04279 0.02918 -0.05363 201 4YY 0.02900 0.02885 0.03153 0.04309 0.03145 202 4ZZ 0.01047 -0.01988 -0.03840 -0.01415 0.01454 203 4XY 0.03652 0.04669 -0.02241 -0.04342 0.00393 204 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.06727 0.29205 -0.16954 -0.16739 0.04398 207 2S 0.58065 -0.25360 -0.57929 0.90442 0.12724 208 20 H 1S 0.02058 -0.06037 -0.18378 -0.17631 0.02672 209 2S 0.05676 0.01493 -0.36525 -0.36956 -0.02826 210 21 H 1S -0.23896 0.13767 0.05500 -0.09247 -0.32347 211 2S -0.34668 0.19973 0.07235 -0.12164 -0.52722 212 22 H 1S 0.06255 0.01248 0.24266 0.07732 0.02672 213 2S 0.01556 -0.05659 0.49909 0.14452 -0.02826 214 23 H 1S -0.21890 -0.20470 0.22802 0.06906 0.04399 215 2S 0.51062 -0.37512 -0.51818 0.94076 0.12721 216 24 C 1S 0.00544 0.00315 0.00345 0.00616 -0.01863 217 2S 0.09934 0.05747 0.12599 0.22492 -0.42347 218 2PX -0.12673 0.27130 0.10109 -0.11663 0.12415 219 2PY 0.12550 -0.12636 -0.11745 -0.03814 0.21504 220 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 221 3S 0.81685 0.47265 0.06124 0.10931 0.57020 222 3PX 0.42381 -1.13176 -1.15707 0.61427 -0.69967 223 3PY -0.64441 0.42214 0.63465 -0.41423 -1.21188 224 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.04688 0.03406 0.06245 -0.01036 -0.05545 226 4YY 0.00357 -0.00487 -0.02676 0.07407 -0.03739 227 4ZZ -0.02806 -0.01624 -0.00939 -0.01676 0.04556 228 4XY -0.05132 -0.02507 0.04933 0.00683 0.01807 229 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S -0.01571 0.00805 0.00975 -0.00973 0.01173 232 2S -0.12931 0.16646 0.28064 -0.41787 0.05407 233 2PX 0.14663 0.24934 0.20584 -0.04551 -0.09003 234 2PY 0.06060 0.04029 -0.21290 -0.17791 0.09206 235 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 236 3S 1.60497 -0.56118 0.02587 0.60793 -1.50500 237 3PX -1.06050 -1.30342 -1.65645 0.42776 0.44260 238 3PY -0.51407 -0.62794 0.25119 0.95796 0.42925 239 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.02989 0.01215 0.04353 -0.02805 -0.05363 241 4YY -0.02905 0.02879 0.03263 -0.04226 0.03145 242 4ZZ -0.01043 -0.01990 -0.03876 0.01315 0.01454 243 4XY 0.03661 -0.04662 0.02352 -0.04282 -0.00394 244 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00499 -0.01097 0.00099 -0.00918 0.00098 247 2S -0.06351 -0.34524 0.07299 -0.27647 0.31538 248 2PX -0.02763 -0.08431 0.23200 -0.15788 0.15154 249 2PY 0.06234 0.12278 -0.00216 -0.03568 -0.02768 250 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.62426 0.52280 0.60803 0.52158 0.02805 252 3PX -0.18834 0.22280 -0.70832 0.95213 -0.04357 253 3PY -1.22281 -1.08485 -1.44432 0.68392 1.09813 254 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.01008 -0.00850 -0.01781 -0.00442 0.01895 256 4YY -0.02011 -0.03414 0.04688 -0.04966 0.03157 257 4ZZ -0.00843 0.00247 -0.02369 0.02625 -0.00958 258 4XY -0.03642 -0.01980 0.00728 0.00719 0.01065 259 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.01894 0.01096 0.00038 0.00069 -0.01536 262 2S 0.53041 0.30689 0.01553 0.02774 -0.36764 263 2PX 0.01046 -0.09939 -0.02233 -0.02992 0.08534 264 2PY -0.08744 0.01029 -0.02888 -0.05731 0.14781 265 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -2.62356 -1.51797 -0.41450 -0.73999 2.26461 267 3PX -0.11851 0.52115 1.39498 -0.74333 -0.35310 268 3PY 0.38508 -0.11767 -0.76787 0.49617 -0.61156 269 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX -0.00477 0.03125 -0.03166 -0.00187 0.01049 271 4YY 0.08851 0.01720 0.02081 -0.01750 -0.05574 272 4ZZ -0.01537 -0.00889 0.01128 0.02013 -0.00706 273 4XY 0.05396 0.05390 -0.00967 0.01918 -0.06623 274 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.00703 0.00979 -0.00835 -0.00395 0.00098 277 2S -0.33097 0.11700 -0.27388 -0.08216 0.31539 278 2PX 0.16253 -0.01522 0.10253 -0.07542 -0.09974 279 2PY -0.00647 0.01207 -0.23618 0.08969 0.11740 280 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.14217 -0.80177 0.12721 0.79091 0.02803 282 3PX -1.39193 -0.31270 0.56745 -0.70395 0.97278 283 3PY -0.68896 -0.49730 1.69236 -0.52968 0.51131 284 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.00381 0.01921 -0.05049 -0.00132 0.02043 286 4YY -0.03815 -0.00665 -0.01081 -0.00214 0.03009 287 4ZZ -0.00206 -0.00854 0.03476 -0.00649 -0.00958 288 4XY -0.03629 -0.01755 -0.03502 0.02075 0.01163 289 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.00085 -0.01763 -0.01339 0.00324 0.01173 292 2S 0.07987 -0.19506 -0.50292 0.02107 0.05407 293 2PX -0.08822 0.02669 0.03807 -0.31358 0.12474 294 2PY 0.28306 0.01871 -0.14698 -0.00580 -0.03193 295 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 296 3S 0.31335 1.67109 0.50490 0.33961 -1.50499 297 3PX 0.13595 0.01994 -0.02111 1.21339 0.15042 298 3PY -1.83662 -0.30004 1.40803 -0.67257 0.59790 299 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.03085 -0.06592 -0.01487 0.01166 0.01313 301 4YY 0.00506 0.04624 -0.08487 0.01657 -0.03531 302 4ZZ -0.02245 0.00087 0.03146 -0.02618 0.01454 303 4XY -0.01856 -0.00221 -0.02761 -0.00951 0.04057 304 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.21929 -0.20428 0.22974 -0.06313 0.04398 307 2S -0.50995 -0.37605 -0.49360 -0.95389 0.12724 308 31 H 1S -0.06257 0.01236 0.24458 -0.07100 0.02672 309 2S -0.01545 -0.05662 0.50267 -0.13153 -0.02826 310 32 H 1S 0.23870 0.13811 0.05258 0.09387 -0.32347 311 2S 0.34631 0.20037 0.06917 0.12348 -0.52722 312 33 H 1S -0.02047 -0.06041 -0.18829 0.17149 0.02672 313 2S -0.05679 0.01482 -0.37471 0.35996 -0.02826 314 34 H 1S -0.06782 0.29192 -0.17382 0.16294 0.04399 315 2S -0.58017 -0.25464 -0.55563 -0.91914 0.12721 176 177 178 179 180 (E')--V (E')--V (E')--V (E')--V (E')--V Eigenvalues -- 1.02186 1.02186 1.02497 1.02497 1.05475 1 1 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 2 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 3 2PX -0.02501 0.00653 -0.18418 -0.01319 -0.00863 4 2PY 0.00653 0.02501 0.01319 -0.18418 -0.00002 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 7 3PX 1.74636 -0.45563 2.28178 0.16334 -1.31405 8 3PY -0.45563 -1.74636 -0.16334 2.28178 -0.00399 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.03131 0.00817 0.03090 0.00221 -0.03777 11 4YY 0.03131 -0.00817 -0.03090 -0.00221 0.03777 12 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 13 4XY -0.00943 -0.03615 0.00255 -0.03568 0.00013 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.00991 0.00259 -0.01747 -0.00125 -0.00091 17 2S -0.07974 0.02080 -0.57868 -0.04143 0.04395 18 2PX 0.17681 -0.04614 -0.35642 -0.02552 0.25320 19 2PY -0.03294 -0.12626 0.00754 -0.10537 0.00002 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S 1.15715 -0.30190 1.81538 0.12995 0.62288 22 3PX 2.10231 -0.54849 3.42332 0.24506 -1.50310 23 3PY 0.35371 1.35569 0.00413 -0.05799 0.00469 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX -0.01295 0.00338 -0.00647 -0.00046 -0.03586 26 4YY 0.00585 -0.00153 -0.07010 -0.00502 0.04689 27 4ZZ 0.01951 -0.00509 0.02761 0.00198 -0.00879 28 4XY 0.01148 0.04401 -0.00019 0.00264 0.00008 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.00316 0.01383 0.00985 -0.01364 -0.00233 32 2S -0.13747 0.04524 0.04232 -0.32591 0.00093 33 2PX 0.32215 0.07449 -0.10753 -0.11780 0.06994 34 2PY -0.44708 -0.24259 -0.18065 -0.11673 -0.07727 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.03103 0.08839 -1.53795 1.54007 0.45656 37 3PX -1.04853 0.09745 -0.35327 1.04441 0.37860 38 3PY 3.08288 1.40743 1.64327 0.32376 -0.05505 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX -0.04513 0.02001 -0.03119 0.00835 0.01214 41 4YY -0.00267 0.03996 0.04350 -0.04592 -0.01809 42 4ZZ 0.01740 -0.04583 -0.01760 0.00037 0.00284 43 4XY -0.02030 -0.02234 -0.08346 0.01455 0.04124 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.01297 0.00537 -0.01689 0.01459 0.00813 47 2S -0.27904 0.16582 -0.08169 0.44400 0.06402 48 2PX 0.10909 -0.03829 -0.07524 -0.11475 0.02769 49 2PY -0.08599 -0.15385 -0.17836 0.03339 0.13861 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 1.10101 -0.17047 1.16280 -1.47421 -0.66628 52 3PX -0.58942 0.36156 -0.71420 1.24308 0.52673 53 3PY -0.68972 0.25586 0.10520 -0.36773 -0.64117 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX -0.01096 0.03002 -0.02496 -0.00014 0.01587 56 4YY -0.05828 0.02522 0.00613 0.05733 0.00750 57 4ZZ 0.04420 -0.03415 0.00587 -0.01071 -0.00693 58 4XY 0.02240 -0.00183 -0.01900 0.00110 0.03735 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S -0.00931 0.00243 -0.00210 -0.00015 0.00038 62 2S -0.22032 0.05748 0.11224 0.00804 -0.14165 63 2PX 0.12259 -0.03199 -0.19367 -0.01387 0.17885 64 2PY -0.02045 -0.07838 -0.00206 0.02885 -0.00028 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.41187 0.10747 0.16136 0.01156 -0.72991 67 3PX -0.29319 0.07651 0.88108 0.06308 -0.48348 68 3PY -0.03808 -0.14596 0.04764 -0.66546 0.00011 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.04436 0.01157 -0.04118 -0.00295 0.02733 71 4YY -0.04106 0.01071 0.04523 0.00324 -0.05351 72 4ZZ 0.06249 -0.01630 -0.00948 -0.00068 0.01767 73 4XY -0.00798 -0.03057 0.00141 -0.01971 -0.00013 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.01394 0.00166 -0.01464 -0.01685 0.00799 77 2S -0.32450 -0.00835 -0.01760 -0.45110 0.06068 78 2PX 0.11389 -0.01990 -0.09082 0.10286 0.02796 79 2PY -0.00013 -0.17625 0.17179 0.05846 -0.13837 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 1.04402 -0.38917 0.94092 1.62480 -0.64874 82 3PX -0.69096 -0.02751 -0.52983 -1.33213 0.52025 83 3PY 0.72678 -0.11373 -0.05174 -0.37898 0.63542 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX -0.02423 -0.02084 -0.02472 -0.00341 0.01611 86 4YY -0.06318 0.00647 0.01423 -0.05587 0.00682 87 4ZZ 0.05525 0.00820 0.00429 0.01144 -0.00686 88 4XY -0.02044 0.00935 0.01865 0.00379 -0.03714 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.00951 -0.01052 0.00781 0.01491 -0.00222 92 2S -0.14203 0.02768 -0.00454 0.32862 0.00487 93 2PX 0.24470 -0.22239 -0.12321 0.10128 0.07086 94 2PY 0.27156 -0.43009 0.19545 -0.08981 0.07542 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.01618 -0.09229 -1.30286 -1.74345 0.44186 97 3PX -0.96252 0.42724 -0.20088 -1.08407 0.36793 98 3PY -2.00226 2.73418 -1.67269 0.08643 0.06898 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX -0.04915 0.00459 -0.02968 -0.01270 0.01241 101 4YY -0.02185 -0.03356 0.03651 0.05165 -0.01808 102 4ZZ 0.03758 0.03149 -0.01737 -0.00288 0.00291 103 4XY 0.00680 -0.02941 0.08054 0.02629 -0.04122 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.15655 -0.09641 0.41590 0.09515 -0.15312 107 2S -2.68574 3.02833 -2.09979 -0.70606 1.21146 108 9 H 1S 0.12639 0.08009 -0.06447 -0.02825 0.10909 109 2S 0.36383 -0.03323 -0.00945 -0.08325 0.17501 110 10 H 1S 0.18146 -0.04735 -0.14813 -0.01061 0.12329 111 2S 0.20010 -0.05221 -0.38442 -0.02752 0.25563 112 11 H 1S 0.07116 -0.13163 -0.06783 0.01877 0.11027 113 2S 0.33369 -0.14876 -0.02121 0.08104 0.17796 114 12 H 1S 0.18369 0.00764 0.42521 -0.03493 -0.15269 115 2S -3.82292 -1.33017 -2.17891 0.39982 1.19966 116 13 C 1S 0.00720 0.00729 0.00982 -0.01450 0.00045 117 2S 0.05788 0.05865 0.32522 -0.48044 -0.02186 118 2PX 0.14461 -0.01435 -0.17592 0.09667 0.06660 119 2PY -0.06472 -0.15846 0.12973 -0.28587 -0.10696 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S -0.84003 -0.85117 -1.02023 1.50719 -0.30980 122 3PX -0.10052 1.62552 0.92024 -1.44929 0.79017 123 3PY -1.82029 -0.84714 -1.69021 2.44509 1.31946 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX 0.02344 -0.02481 0.02881 -0.04610 -0.03107 126 4YY -0.01829 0.03003 0.01422 -0.01746 0.02558 127 4ZZ -0.01416 -0.01435 -0.01552 0.02292 0.00437 128 4XY -0.02301 0.00906 0.01898 -0.02567 -0.00855 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S -0.00436 0.01350 -0.01682 -0.00069 -0.01473 132 2S 0.09499 0.10916 -0.28232 -0.16824 -0.56374 133 2PX 0.59763 0.06780 0.03033 -0.10680 -0.11228 134 2PY -0.01862 -0.07716 -0.01263 -0.24335 -0.25730 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -0.07183 0.06016 2.16130 -0.25658 1.87812 137 3PX -3.34327 -0.62774 -1.17911 1.10791 1.08327 138 3PY -0.94729 0.35343 0.51929 1.06466 2.17486 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX -0.02812 0.04345 -0.08806 0.04196 0.00791 141 4YY 0.03853 0.03252 0.05092 -0.05552 -0.04491 142 4ZZ 0.00848 -0.04829 0.01117 -0.01360 -0.01196 143 4XY -0.00891 -0.00669 -0.01289 -0.01573 0.01630 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00841 0.01125 0.02191 -0.00425 0.01589 147 2S 0.15502 0.28520 0.39946 0.21031 0.44671 148 2PX 0.16922 -0.03207 0.14006 -0.03849 -0.00356 149 2PY 0.01205 -0.12092 0.03044 -0.17243 -0.06245 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.85904 -0.70956 -1.87758 0.00246 -2.18176 152 3PX 0.23918 0.18977 -1.01593 -0.22891 -0.77118 153 3PY 0.50950 0.81641 1.05148 0.10711 0.32633 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.04015 0.05623 0.02532 0.03596 0.05139 156 4YY -0.00889 0.02665 0.03126 -0.01541 -0.00024 157 4ZZ -0.02052 -0.05195 -0.01205 -0.00200 -0.00550 158 4XY 0.01240 0.00352 0.01928 0.02285 0.07303 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00676 0.00685 0.00118 -0.00174 -0.00019 162 2S 0.15994 0.16206 -0.06308 0.09318 0.07045 163 2PX 0.09443 -0.00419 -0.03368 0.09443 -0.02486 164 2PY -0.04825 -0.10654 0.10624 -0.13114 -0.11707 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.29900 0.30295 -0.09069 0.13396 0.36304 167 3PX -0.01345 -0.19959 -0.23088 -0.68963 -0.09440 168 3PY 0.23802 0.13378 -0.70508 0.44650 0.22316 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.01354 0.04745 -0.00101 0.02792 0.04527 171 4YY 0.04847 0.01538 -0.00127 -0.02456 -0.03226 172 4ZZ -0.04537 -0.04597 0.00533 -0.00787 -0.00879 173 4XY 0.01004 -0.01231 -0.03246 0.03033 0.00096 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.01113 0.00855 -0.00419 -0.02192 -0.02391 177 2S 0.28312 0.15875 -0.34367 -0.29274 -0.50873 178 2PX 0.12200 -0.09345 -0.12069 0.15212 0.07728 179 2PY -0.03083 -0.14094 0.08851 0.07884 0.07305 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -0.69813 -0.86827 0.69531 1.74412 2.83581 182 3PX -0.79446 -0.57133 0.12948 0.38190 -0.39248 183 3PY 0.24317 0.05081 -0.75599 -1.21140 -1.59947 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.03652 0.01315 -0.02997 -0.03566 -0.10454 186 4YY 0.04594 0.01919 -0.01014 -0.00924 0.03036 187 4ZZ -0.05167 -0.02120 0.00634 0.01044 0.01236 188 4XY 0.01615 0.03094 -0.03693 0.00760 -0.03941 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.01355 -0.00418 0.00689 0.01536 0.01699 192 2S 0.10791 0.09643 0.26109 0.19961 0.56085 193 2PX 0.03664 -0.28223 -0.24366 0.10206 -0.30973 194 2PY -0.09035 -0.52811 0.03921 0.01941 -0.06720 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.06103 -0.07106 -0.56476 -2.10194 -2.32496 197 3PX -0.02498 2.49193 1.31830 -0.67819 2.55734 198 3PY 0.68840 2.43098 -0.07933 -1.34781 -0.50170 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.03003 0.01558 0.03745 -0.02199 -0.00084 201 4YY 0.04580 -0.00417 -0.01107 0.05144 0.04362 202 4ZZ -0.04839 0.00785 0.00848 -0.01543 0.00910 203 4XY 0.00262 -0.03775 -0.00974 0.08568 0.00105 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.08523 -0.16291 -0.18235 0.38571 0.01394 207 2S 0.75950 3.97583 0.74320 -2.08690 1.08995 208 20 H 1S -0.14958 0.00419 0.01766 -0.06813 -0.22331 209 2S -0.29568 -0.21461 -0.05958 -0.05889 -0.50901 210 21 H 1S -0.13174 -0.13348 0.08325 -0.12298 -0.06132 211 2S -0.14526 -0.14718 0.21605 -0.31915 -0.12714 212 22 H 1S 0.00616 -0.14950 0.05670 -0.04171 0.11420 213 2S -0.21069 -0.29847 0.07682 0.03344 0.33345 214 23 H 1S -0.16177 -0.08737 -0.29035 0.31261 0.13816 215 2S 3.96548 0.81175 1.66136 -1.46544 -2.28920 216 24 C 1S 0.00272 -0.00988 0.00765 0.01575 0.00046 217 2S 0.02186 -0.07945 0.25346 0.52187 -0.02209 218 2PX 0.13319 -0.05813 -0.16035 -0.12075 0.06726 219 2PY -0.02095 -0.16989 -0.08768 -0.30144 0.10813 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.31712 1.15307 -0.79515 -1.63714 -0.31308 222 3PX -0.88185 -1.36919 0.70443 1.56561 0.78216 223 3PY 1.17442 -1.62848 1.32469 2.66089 -1.32395 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.03257 0.01019 0.02195 0.04974 -0.03114 226 4YY -0.03063 -0.01726 0.01158 0.01931 0.02560 227 4ZZ -0.00535 0.01944 -0.01209 -0.02490 0.00442 228 4XY 0.02450 -0.00334 -0.01512 -0.02811 0.00881 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.01387 -0.00298 0.00901 -0.01422 0.01695 232 2S 0.04704 -0.13684 0.28686 -0.16038 0.55887 233 2PX 0.16986 0.22835 -0.22665 -0.13573 -0.30886 234 2PY -0.17918 -0.50493 -0.04156 0.01362 0.06766 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S 0.08802 0.03213 -0.85844 2.00003 -2.31997 237 3PX -1.23926 -2.16204 1.20831 0.85909 2.54935 238 3PY 0.58701 2.45744 0.27047 -1.32276 0.50241 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.01859 -0.02826 0.03394 0.02710 -0.00098 241 4YY 0.04200 -0.01874 -0.00363 -0.05249 0.04365 242 4ZZ -0.04606 0.01680 0.00619 0.01648 0.00905 243 4XY -0.02073 -0.03165 -0.00257 0.08620 -0.00129 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00554 -0.01290 -0.00727 0.02110 -0.02388 247 2S 0.16948 -0.27685 -0.38186 0.24079 -0.50739 248 2PX 0.15210 0.02193 -0.09779 -0.16777 0.07795 249 2PY -0.04196 -0.13804 -0.09884 0.06542 -0.07311 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.18498 1.09873 0.93666 -1.62726 2.83050 252 3PX -0.41406 0.88665 0.18254 -0.35955 -0.39315 253 3PY -0.18738 0.16317 0.92085 -1.09135 1.59929 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.02544 -0.02932 -0.03474 0.03102 -0.10444 256 4YY 0.03071 -0.03919 -0.01135 0.00770 0.03035 257 4ZZ -0.03473 0.04375 0.00776 -0.00943 0.01237 258 4XY 0.00103 0.03488 0.03547 0.01278 0.03911 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00255 -0.00928 0.00092 0.00189 -0.00019 262 2S 0.06038 -0.21954 -0.04916 -0.10122 0.07120 263 2PX 0.08444 -0.04248 -0.01988 -0.09827 -0.02414 264 2PY -0.00996 -0.11653 -0.08647 -0.14494 0.11774 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.11286 -0.41042 -0.07067 -0.14552 0.36687 267 3PX 0.08579 0.18072 -0.32677 0.64972 -0.09577 268 3PY -0.14230 0.23302 0.63427 0.54239 -0.22532 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX -0.01137 -0.04802 0.00298 -0.02778 0.04535 271 4YY 0.03478 -0.03710 -0.00475 0.02413 -0.03219 272 4ZZ -0.01713 0.06227 0.00415 0.00855 -0.00888 273 4XY -0.01478 -0.00584 0.02781 0.03465 -0.00124 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00184 -0.01392 0.02108 0.00733 0.01578 277 2S -0.00408 -0.32457 0.42536 -0.15126 0.44471 278 2PX 0.16332 -0.05469 0.13315 0.05805 -0.00429 279 2PY -0.06959 -0.09962 -0.00557 -0.17501 0.06288 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.40288 1.03874 -1.85811 -0.26991 -2.16953 282 3PX 0.11597 -0.28246 -1.03817 0.08185 -0.76279 283 3PY -0.04570 0.96124 -1.05604 -0.04376 -0.32426 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX 0.00756 -0.06868 0.03019 -0.03199 0.05134 286 4YY -0.02078 -0.01891 0.02875 0.01970 -0.00053 287 4ZZ 0.00748 0.05535 -0.01221 0.00027 -0.00544 288 4XY -0.00910 0.00913 -0.02234 0.01987 -0.07267 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.01039 -0.00965 -0.01674 -0.00171 -0.01466 292 2S 0.02955 -0.14167 -0.30341 0.12630 -0.56178 293 2PX 0.48833 -0.35113 0.01481 0.11002 -0.11118 294 2PY -0.02145 -0.07642 0.04717 -0.23907 0.25656 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -0.09206 -0.01732 2.10271 0.56187 1.86840 297 3PX -2.61043 2.18112 -1.00930 -1.26451 1.08116 298 3PY 0.99922 -0.15447 -0.66565 0.97979 -2.16521 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX -0.04576 -0.02418 -0.08118 -0.05408 0.00817 301 4YY 0.01773 -0.04719 0.04249 0.06220 -0.04500 302 4ZZ 0.03099 0.03799 0.00912 0.01505 -0.01194 303 4XY 0.00451 -0.01019 0.01500 -0.01373 -0.01621 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.09847 0.15526 -0.24286 -0.35078 0.13875 307 2S 3.06342 -2.64566 1.43571 1.68708 -2.28961 308 31 H 1S 0.07842 0.12744 0.05017 0.04936 0.11303 309 2S -0.03802 0.36337 0.08079 -0.02215 0.33105 310 32 H 1S -0.04973 0.18083 0.06488 0.13359 -0.06197 311 2S -0.05483 0.19939 0.16837 0.34668 -0.12849 312 33 H 1S -0.13256 0.06941 0.00777 0.06995 -0.22329 313 2S -0.15313 0.33170 -0.06737 0.04981 -0.50846 314 34 H 1S 0.00522 0.18378 -0.12555 -0.40775 0.01496 315 2S -1.27974 -3.84008 0.43843 2.17150 1.07773 181 182 183 184 185 (E')--V (A')--V (A')--V (E")--V (E")--V Eigenvalues -- 1.05475 1.06899 1.08028 1.10845 1.10845 1 1 C 1S -0.00000 0.00000 -0.03206 0.00000 0.00000 2 2S -0.00000 0.00001 -0.13217 0.00000 0.00000 3 2PX 0.00002 0.00000 0.00000 0.00000 0.00000 4 2PY -0.00863 -0.00000 0.00000 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 6 3S 0.00000 -0.00005 2.15839 0.00000 0.00000 7 3PX 0.00399 -0.00000 0.00000 0.00000 0.00000 8 3PY -1.31405 0.00000 0.00000 0.00000 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00011 0.00000 -0.04203 0.00000 0.00000 11 4YY -0.00011 0.00000 -0.04203 0.00000 0.00000 12 4ZZ 0.00000 -0.00000 0.06581 0.00000 0.00000 13 4XY 0.04362 0.00000 -0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 -0.23219 -0.00082 15 4YZ 0.00000 0.00000 0.00000 -0.00082 0.23219 16 2 C 1S 0.00000 0.00000 -0.01338 0.00000 0.00000 17 2S -0.00013 -0.00000 0.15243 0.00000 0.00000 18 2PX -0.00077 -0.00000 0.05541 0.00000 0.00000 19 2PY 0.00484 -0.18512 -0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 -0.07108 -0.00025 21 3S -0.00190 -0.00002 1.69014 0.00000 0.00000 22 3PX 0.00456 -0.00003 1.49724 0.00000 0.00000 23 3PY 1.54925 -0.58526 -0.00002 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.17194 0.00061 25 4XX 0.00011 0.00000 -0.03801 0.00000 0.00000 26 4YY -0.00014 -0.00000 0.03516 0.00000 0.00000 27 4ZZ 0.00003 -0.00000 0.02137 0.00000 0.00000 28 4XY 0.02772 -0.04642 -0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.20257 0.00072 30 4YZ 0.00000 0.00000 0.00000 -0.00097 0.27460 31 3 C 1S -0.01827 0.02452 -0.00769 0.00000 0.00000 32 2S -0.64815 0.51291 -0.16626 0.00000 0.00000 33 2PX -0.15200 0.22819 -0.00850 0.00000 0.00000 34 2PY -0.30391 0.10360 -0.15462 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00469 0.02890 36 3S 2.42104 -2.62914 0.06837 0.00000 0.00000 37 3PX 1.75959 -1.80463 0.30589 0.00000 0.00000 38 3PY 2.29946 -1.51523 1.90689 0.00000 0.00000 39 3PZ 0.00000 0.00000 0.00000 -0.10453 -0.04798 40 4XX -0.04363 0.03790 -0.00683 0.00000 0.00000 41 4YY -0.00232 0.01312 -0.05523 0.00000 0.00000 42 4ZZ -0.01214 -0.00764 0.03361 0.00000 0.00000 43 4XY 0.00247 -0.03430 0.02496 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 -0.02770 -0.21726 45 4YZ 0.00000 0.00000 0.00000 -0.10409 -0.11825 46 4 C 1S 0.02291 -0.02158 0.00968 0.00000 0.00000 47 2S 0.55047 -0.41572 0.27600 0.00000 0.00000 48 2PX -0.04442 -0.02701 0.05344 0.00000 0.00000 49 2PY 0.03943 -0.02396 0.01692 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00187 -0.00239 51 3S -2.88983 2.88812 -0.86491 0.00000 0.00000 52 3PX 1.06877 -0.79327 -0.04177 0.00000 0.00000 53 3PY -0.94576 0.61257 -1.25256 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.06220 0.02544 55 4XX -0.03941 0.05928 0.01202 0.00000 0.00000 56 4YY 0.11157 -0.09079 0.03403 0.00000 0.00000 57 4ZZ -0.01028 -0.00291 -0.00236 0.00000 0.00000 58 4XY 0.03357 -0.01820 0.05358 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.02819 0.21094 60 4YZ 0.00000 0.00000 0.00000 -0.02704 -0.10442 61 5 C 1S -0.00000 0.00000 -0.00852 0.00000 0.00000 62 2S 0.00043 0.00001 -0.47584 0.00000 0.00000 63 2PX -0.00054 -0.00000 0.16325 0.00000 0.00000 64 2PY -0.09228 0.07655 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00068 0.00000 66 3S 0.00221 0.00001 -0.12551 0.00000 0.00000 67 3PX 0.00147 -0.00000 0.34375 0.00000 0.00000 68 3PY 0.03438 -0.32457 -0.00001 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 -0.06897 -0.00024 70 4XX -0.00008 0.00000 -0.04274 0.00000 0.00000 71 4YY 0.00016 0.00000 -0.04215 0.00000 0.00000 72 4ZZ -0.00005 -0.00000 0.03584 0.00000 0.00000 73 4XY -0.04413 0.04845 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 -0.03424 -0.00012 75 4YZ 0.00000 0.00000 0.00000 -0.00083 0.23450 76 6 C 1S -0.02296 0.02157 0.00968 0.00000 0.00000 77 2S -0.55085 0.41571 0.27601 0.00000 0.00000 78 2PX 0.04425 0.02701 0.05344 0.00000 0.00000 79 2PY 0.04027 -0.02396 -0.01692 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00185 0.00240 81 3S 2.89383 -2.88810 -0.86500 0.00000 0.00000 82 3PX -1.07194 0.79327 -0.04175 0.00000 0.00000 83 3PY -0.94963 0.61253 1.25258 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.06238 -0.02500 85 4XX 0.03931 -0.05928 0.01202 0.00000 0.00000 86 4YY -0.11162 0.09079 0.03404 0.00000 0.00000 87 4ZZ 0.01032 0.00291 -0.00236 0.00000 0.00000 88 4XY 0.03379 -0.01820 -0.05358 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.02969 -0.21073 90 4YZ 0.00000 0.00000 0.00000 0.02778 -0.10423 91 7 C 1S 0.01829 -0.02452 -0.00769 0.00000 0.00000 92 2S 0.64814 -0.51290 -0.16628 0.00000 0.00000 93 2PX 0.15157 -0.22819 -0.00850 0.00000 0.00000 94 2PY -0.30438 0.10360 0.15463 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00489 -0.02886 96 3S -2.42377 2.62915 0.06845 0.00000 0.00000 97 3PX -1.76185 1.80463 0.30594 0.00000 0.00000 98 3PY 2.29910 -1.51517 -1.90696 0.00000 0.00000 99 3PZ 0.00000 0.00000 0.00000 -0.10486 0.04723 100 4XX 0.04356 -0.03790 -0.00683 0.00000 0.00000 101 4YY 0.00243 -0.01312 -0.05523 0.00000 0.00000 102 4ZZ 0.01213 0.00764 0.03361 0.00000 0.00000 103 4XY 0.00272 -0.03430 -0.02496 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 -0.02925 0.21706 105 4YZ 0.00000 0.00000 0.00000 0.10492 -0.11751 106 8 H 1S -0.07113 -0.01312 -0.20443 0.00000 0.00000 107 2S 1.94390 -2.01367 -0.77872 0.00000 0.00000 108 9 H 1S -0.19485 0.21637 0.32548 0.00000 0.00000 109 2S -0.48608 0.39302 0.53870 0.00000 0.00000 110 10 H 1S -0.00038 0.00000 -0.12712 0.00000 0.00000 111 2S -0.00078 0.00000 -0.14752 0.00000 0.00000 112 11 H 1S 0.19418 -0.21638 0.32548 0.00000 0.00000 113 2S 0.48501 -0.39304 0.53869 0.00000 0.00000 114 12 H 1S 0.07206 0.01313 -0.20444 0.00000 0.00000 115 2S -1.95119 2.01370 -0.77862 0.00000 0.00000 116 13 C 1S -0.00079 0.00000 -0.01338 0.00000 0.00000 117 2S 0.03813 -0.00000 0.15243 0.00000 0.00000 118 2PX -0.10775 0.16032 -0.02771 0.00000 0.00000 119 2PY 0.19144 0.09256 0.04799 0.00000 0.00000 120 2PZ 0.00000 0.00000 0.00000 0.03532 0.06168 121 3S 0.54038 -0.00002 1.69014 0.00000 0.00000 122 3PX 1.31933 0.50686 -0.74861 0.00000 0.00000 123 3PY -0.74401 0.29260 1.29666 0.00000 0.00000 124 3PZ 0.00000 0.00000 0.00000 -0.08544 -0.14921 125 4XX 0.01239 -0.03482 0.01687 0.00000 0.00000 126 4YY -0.00282 0.03482 -0.01972 0.00000 0.00000 127 4ZZ -0.00763 -0.00000 0.02137 0.00000 0.00000 128 4XY 0.04279 0.02321 0.03659 0.00000 0.00000 129 4XZ 0.00000 0.00000 0.00000 -0.15604 0.20607 130 4YZ 0.00000 0.00000 0.00000 -0.20632 -0.08401 131 14 C 1S -0.01106 -0.02452 -0.00769 0.00000 0.00000 132 2S -0.31985 -0.51290 -0.16628 0.00000 0.00000 133 2PX -0.18116 0.02438 -0.12966 0.00000 0.00000 134 2PY -0.12124 -0.24942 -0.08468 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 -0.02744 0.01019 136 3S 1.59455 2.62915 0.06845 0.00000 0.00000 137 3PX 0.34403 0.40986 1.49851 0.00000 0.00000 138 3PY 1.58376 2.32044 1.21843 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.09334 0.06720 140 4XX -0.04320 -0.04503 -0.06184 0.00000 0.00000 141 4YY 0.01530 -0.00598 -0.00021 0.00000 0.00000 142 4ZZ -0.00354 0.00764 0.03361 0.00000 0.00000 143 4XY 0.01561 0.02954 -0.01172 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.03226 0.06941 145 4YZ 0.00000 0.00000 0.00000 0.25257 -0.05600 146 15 C 1S 0.01840 0.02157 0.00968 0.00000 0.00000 147 2S 0.32798 0.41571 0.27601 0.00000 0.00000 148 2PX 0.12017 0.00725 -0.01206 0.00000 0.00000 149 2PY 0.07179 0.03537 0.05474 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00115 -0.00281 151 3S -2.00874 -2.88810 -0.86500 0.00000 0.00000 152 3PX -1.38103 -0.92710 -1.06389 0.00000 0.00000 153 3PY 0.34180 0.38073 -0.66244 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 -0.05284 -0.04153 155 4XX 0.00806 0.03962 -0.01165 0.00000 0.00000 156 4YY 0.04795 -0.00812 0.05771 0.00000 0.00000 157 4ZZ -0.01110 0.00291 -0.00236 0.00000 0.00000 158 4XY 0.05824 0.08413 0.03780 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.18887 -0.06412 160 4YZ 0.00000 0.00000 0.00000 -0.11883 0.05495 161 16 C 1S 0.00033 0.00000 -0.00852 0.00000 0.00000 162 2S -0.12288 0.00001 -0.47584 0.00000 0.00000 163 2PX -0.11733 -0.06629 -0.08163 0.00000 0.00000 164 2PY 0.11142 -0.03828 0.14138 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 -0.00034 -0.00059 166 3S -0.63323 0.00001 -0.12551 0.00000 0.00000 167 3PX 0.22453 0.28109 -0.17187 0.00000 0.00000 168 3PY -0.35470 0.16228 0.29770 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.03427 0.05985 170 4XX -0.01243 0.03634 -0.04230 0.00000 0.00000 171 4YY -0.01028 -0.03634 -0.04260 0.00000 0.00000 172 4ZZ 0.01533 -0.00000 0.03584 0.00000 0.00000 173 4XY -0.04604 -0.02422 0.00029 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 -0.18474 0.08606 175 4YZ 0.00000 0.00000 0.00000 -0.08701 0.08400 176 17 C 1S -0.00442 -0.02158 0.00968 0.00000 0.00000 177 2S -0.21979 -0.41572 0.27600 0.00000 0.00000 178 2PX -0.10998 0.03426 -0.04137 0.00000 0.00000 179 2PY -0.01016 -0.01141 0.03782 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 -0.00301 -0.00042 181 3S 0.86790 2.88812 -0.86491 0.00000 0.00000 182 3PX 0.11046 -0.13387 1.10563 0.00000 0.00000 183 3PY -0.02654 -0.99327 0.59011 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 -0.00907 -0.06659 185 4XX -0.01694 -0.06692 0.06872 0.00000 0.00000 186 4YY 0.00109 0.03541 -0.02266 0.00000 0.00000 187 4ZZ -0.00086 -0.00291 -0.00236 0.00000 0.00000 188 4XY -0.04915 -0.06594 -0.01578 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 -0.01768 -0.00055 190 4YZ 0.00000 0.00000 0.00000 0.18445 -0.15030 191 18 C 1S 0.00712 0.02452 -0.00769 0.00000 0.00000 192 2S 0.32489 0.51291 -0.16626 0.00000 0.00000 193 2PX -0.14193 -0.20382 0.13816 0.00000 0.00000 194 2PY 0.07575 0.14582 0.06995 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.02268 -0.01851 196 3S -0.81513 -2.62914 0.06837 0.00000 0.00000 197 3PX 1.31294 2.21454 -1.80436 0.00000 0.00000 198 3PY 0.12073 -0.80525 -0.68854 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.01072 0.11451 200 4XX 0.02306 -0.00641 -0.02441 0.00000 0.00000 201 4YY -0.00524 0.05742 -0.03764 0.00000 0.00000 202 4ZZ 0.00853 -0.00764 0.03361 0.00000 0.00000 203 4XY -0.04066 0.00476 -0.03668 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.13077 -0.19558 205 4YZ 0.00000 0.00000 0.00000 -0.12577 0.04022 206 19 H 1S -0.16826 0.01313 -0.20444 0.00000 0.00000 207 2S 2.01453 2.01370 -0.77862 0.00000 0.00000 208 20 H 1S -0.00159 -0.21638 0.32548 0.00000 0.00000 209 2S -0.08838 -0.39304 0.53869 0.00000 0.00000 210 21 H 1S 0.10696 0.00000 -0.12712 0.00000 0.00000 211 2S 0.22177 0.00000 -0.14752 0.00000 0.00000 212 22 H 1S 0.19190 0.21637 0.32548 0.00000 0.00000 213 2S 0.39461 0.39302 0.53870 0.00000 0.00000 214 23 H 1S -0.09704 -0.01312 -0.20443 0.00000 0.00000 215 2S 0.07721 -2.01367 -0.77872 0.00000 0.00000 216 24 C 1S 0.00079 0.00000 -0.01338 0.00000 0.00000 217 2S -0.03799 -0.00000 0.15243 0.00000 0.00000 218 2PX 0.10734 -0.16031 -0.02771 0.00000 0.00000 219 2PY 0.19079 0.09256 -0.04799 0.00000 0.00000 220 2PZ 0.00000 0.00000 0.00000 0.03576 -0.06143 221 3S -0.53848 -0.00002 1.69014 0.00000 0.00000 222 3PX -1.32408 -0.50683 -0.74864 0.00000 0.00000 223 3PY -0.73600 0.29265 -1.29664 0.00000 0.00000 224 3PZ 0.00000 0.00000 0.00000 -0.08650 0.14860 225 4XX -0.01220 0.03481 0.01687 0.00000 0.00000 226 4YY 0.00267 -0.03481 -0.01972 0.00000 0.00000 227 4ZZ 0.00760 -0.00000 0.02137 0.00000 0.00000 228 4XY 0.04274 0.02321 -0.03659 0.00000 0.00000 229 4XZ 0.00000 0.00000 0.00000 -0.15458 -0.20717 230 4YZ 0.00000 0.00000 0.00000 0.20692 -0.08254 231 25 C 1S -0.00723 -0.02452 -0.00769 0.00000 0.00000 232 2S -0.32828 -0.51290 -0.16628 0.00000 0.00000 233 2PX 0.14381 0.20381 0.13816 0.00000 0.00000 234 2PY 0.07534 0.14582 -0.06995 0.00000 0.00000 235 2PZ 0.00000 0.00000 0.00000 0.02255 0.01867 236 3S 0.82922 2.62915 0.06845 0.00000 0.00000 237 3PX -1.32842 -2.21449 -1.80445 0.00000 0.00000 238 3PY 0.11768 -0.80527 0.68853 0.00000 0.00000 239 3PZ 0.00000 0.00000 0.00000 0.01153 -0.11443 240 4XX -0.02306 0.00641 -0.02441 0.00000 0.00000 241 4YY 0.00497 -0.05742 -0.03765 0.00000 0.00000 242 4ZZ -0.00858 0.00764 0.03361 0.00000 0.00000 243 4XY -0.04065 0.00476 0.03668 0.00000 0.00000 244 4XZ 0.00000 0.00000 0.00000 0.12938 0.19650 245 4YZ 0.00000 0.00000 0.00000 0.12548 0.04111 246 26 C 1S 0.00456 0.02157 0.00968 0.00000 0.00000 247 2S 0.22287 0.41571 0.27601 0.00000 0.00000 248 2PX 0.10950 -0.03426 -0.04137 0.00000 0.00000 249 2PY -0.00972 -0.01141 -0.03782 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 -0.00301 0.00040 251 3S -0.88509 -2.88810 -0.86500 0.00000 0.00000 252 3PX -0.10807 0.13383 1.10564 0.00000 0.00000 253 3PY -0.03624 -0.99326 -0.59014 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 -0.00954 0.06652 255 4XX 0.01757 0.06692 0.06872 0.00000 0.00000 256 4YY -0.00128 -0.03541 -0.02266 0.00000 0.00000 257 4ZZ 0.00079 0.00291 -0.00236 0.00000 0.00000 258 4XY -0.04939 -0.06594 0.01578 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 -0.01769 0.00043 260 4YZ 0.00000 0.00000 0.00000 -0.18338 -0.15160 261 27 C 1S -0.00032 0.00000 -0.00852 0.00000 0.00000 262 2S 0.12245 0.00001 -0.47584 0.00000 0.00000 263 2PX 0.11748 0.06629 -0.08163 0.00000 0.00000 264 2PY 0.11071 -0.03827 -0.14138 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 -0.00034 0.00059 266 3S 0.63101 0.00001 -0.12551 0.00000 0.00000 267 3PX -0.22395 -0.28109 -0.17188 0.00000 0.00000 268 3PY -0.35333 0.16229 -0.29769 0.00000 0.00000 269 3PZ 0.00000 0.00000 0.00000 0.03470 -0.05961 270 4XX 0.01215 -0.03634 -0.04230 0.00000 0.00000 271 4YY 0.01048 0.03634 -0.04259 0.00000 0.00000 272 4ZZ -0.01527 -0.00000 0.03584 0.00000 0.00000 273 4XY -0.04603 -0.02423 -0.00029 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 -0.18413 -0.08737 275 4YZ 0.00000 0.00000 0.00000 0.08642 0.08461 276 28 C 1S -0.01850 -0.02158 0.00968 0.00000 0.00000 277 2S -0.33068 -0.41572 0.27600 0.00000 0.00000 278 2PX -0.12015 -0.00725 -0.01206 0.00000 0.00000 279 2PY 0.07141 0.03537 -0.05474 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00113 0.00281 281 3S 2.02193 2.88812 -0.86491 0.00000 0.00000 282 3PX 1.38567 0.92713 -1.06386 0.00000 0.00000 283 3PY 0.34376 0.38071 0.66245 0.00000 0.00000 284 3PZ 0.00000 0.00000 0.00000 -0.05313 0.04115 285 4XX -0.00838 -0.03962 -0.01165 0.00000 0.00000 286 4YY -0.04794 0.00812 0.05771 0.00000 0.00000 287 4ZZ 0.01114 -0.00291 -0.00236 0.00000 0.00000 288 4XY 0.05869 0.08414 -0.03779 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.18841 0.06546 290 4YZ 0.00000 0.00000 0.00000 0.11844 0.05580 291 29 C 1S 0.01115 0.02452 -0.00769 0.00000 0.00000 292 2S 0.32327 0.51291 -0.16626 0.00000 0.00000 293 2PX 0.18183 -0.02438 -0.12966 0.00000 0.00000 294 2PY -0.12280 -0.24942 0.08467 0.00000 0.00000 295 2PZ 0.00000 0.00000 0.00000 -0.02737 -0.01039 296 3S -1.60591 -2.62914 0.06837 0.00000 0.00000 297 3PX -0.35058 -0.40991 1.49847 0.00000 0.00000 298 3PY 1.59691 2.32047 -1.21835 0.00000 0.00000 299 3PZ 0.00000 0.00000 0.00000 0.09381 -0.06653 300 4XX 0.04315 0.04504 -0.06184 0.00000 0.00000 301 4YY -0.01503 0.00598 -0.00021 0.00000 0.00000 302 4ZZ 0.00361 -0.00764 0.03361 0.00000 0.00000 303 4XY 0.01571 0.02954 0.01172 0.00000 0.00000 304 4XZ 0.00000 0.00000 0.00000 0.03276 -0.06918 305 4YZ 0.00000 0.00000 0.00000 -0.25217 -0.05779 306 30 H 1S 0.09620 0.01313 -0.20444 0.00000 0.00000 307 2S -0.06334 2.01370 -0.77862 0.00000 0.00000 308 31 H 1S -0.19259 -0.21638 0.32548 0.00000 0.00000 309 2S -0.39662 -0.39304 0.53869 0.00000 0.00000 310 32 H 1S -0.10658 0.00000 -0.12712 0.00000 0.00000 311 2S -0.22099 0.00000 -0.14752 0.00000 0.00000 312 33 H 1S 0.00295 0.21637 0.32548 0.00000 0.00000 313 2S 0.09147 0.39302 0.53870 0.00000 0.00000 314 34 H 1S 0.16817 -0.01312 -0.20443 0.00000 0.00000 315 2S -2.02111 -2.01367 -0.77872 0.00000 0.00000 186 187 188 189 190 (E')--V (E')--V (A")--V (A')--V (E")--V Eigenvalues -- 1.11375 1.11375 1.11434 1.13216 1.13782 1 1 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 3 2PX -0.02067 -0.00615 0.00000 -0.00000 0.00000 4 2PY 0.00615 -0.02067 0.00000 -0.00000 0.00000 5 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 6 3S -0.00000 -0.00000 0.00000 0.00003 0.00000 7 3PX 0.85398 0.25411 0.00000 0.00000 0.00000 8 3PY -0.25411 0.85398 0.00000 0.00000 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00045 0.00013 0.00000 -0.00000 0.00000 11 4YY -0.00045 -0.00013 0.00000 -0.00000 0.00000 12 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 13 4XY 0.00016 -0.00052 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00052 15 4YZ 0.00000 0.00000 -0.00000 0.00000 0.39206 16 2 C 1S -0.00405 -0.00121 0.00000 0.00000 0.00000 17 2S 0.37647 0.11203 0.00000 -0.00000 0.00000 18 2PX -0.14468 -0.04305 0.00000 -0.00000 0.00000 19 2PY 0.05483 -0.18426 0.00000 0.12931 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00007 21 3S 1.37930 0.41040 0.00000 -0.00001 0.00000 22 3PX 2.16682 0.64476 0.00000 0.00001 0.00000 23 3PY -0.24521 0.82404 0.00000 -0.48587 0.00000 24 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00020 25 4XX 0.01657 0.00493 0.00000 -0.00000 0.00000 26 4YY 0.05674 0.01688 0.00000 0.00000 0.00000 27 4ZZ -0.01581 -0.00470 0.00000 0.00000 0.00000 28 4XY 0.00580 -0.01948 0.00000 -0.02461 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00055 30 4YZ 0.00000 0.00000 0.20955 0.00000 -0.09817 31 3 C 1S -0.01779 0.00256 0.00000 -0.00145 0.00000 32 2S -0.51545 -0.06001 0.00000 0.15054 0.00000 33 2PX -0.16048 -0.06781 0.00000 -0.17493 0.00000 34 2PY -0.13620 -0.02975 0.00000 0.39058 0.00000 35 2PZ 0.00000 0.00000 -0.00188 0.00000 0.01134 36 3S 1.00332 -0.63963 0.00000 -1.15245 0.00000 37 3PX 0.41189 0.56748 0.00000 0.72856 0.00000 38 3PY 2.32405 0.46907 0.00000 -2.28887 0.00000 39 3PZ 0.00000 0.00000 0.01068 0.00000 -0.04421 40 4XX -0.04476 -0.00984 0.00000 0.00349 0.00000 41 4YY -0.05149 -0.00586 0.00000 -0.03766 0.00000 42 4ZZ 0.02872 0.00545 0.00000 0.03554 0.00000 43 4XY 0.02371 -0.02515 0.00000 0.03072 0.00000 44 4XZ 0.00000 0.00000 -0.17962 0.00000 0.12266 45 4YZ 0.00000 0.00000 -0.08895 0.00000 0.04924 46 4 C 1S 0.00892 -0.00042 0.00000 -0.00460 0.00000 47 2S 0.40460 0.05450 0.00000 -0.13996 0.00000 48 2PX 0.06237 0.00319 0.00000 -0.05071 0.00000 49 2PY -0.10418 0.02667 0.00000 0.21552 0.00000 50 2PZ 0.00000 0.00000 0.00713 0.00000 -0.00829 51 3S -0.86749 -0.07155 0.00000 0.21455 0.00000 52 3PX -0.41939 0.03664 0.00000 0.29183 0.00000 53 3PY -1.44279 -0.60562 0.00000 -0.50337 0.00000 54 3PZ 0.00000 0.00000 -0.00598 0.00000 0.02560 55 4XX -0.01199 -0.00046 0.00000 -0.01206 0.00000 56 4YY 0.08325 0.01990 0.00000 -0.01493 0.00000 57 4ZZ -0.02074 -0.00561 0.00000 0.01539 0.00000 58 4XY 0.03444 0.01960 0.00000 0.00908 0.00000 59 4XZ 0.00000 0.00000 0.16980 0.00000 -0.11983 60 4YZ 0.00000 0.00000 -0.08464 0.00000 0.06417 61 5 C 1S -0.00320 -0.00095 0.00000 -0.00000 0.00000 62 2S -0.32905 -0.09791 0.00000 0.00000 0.00000 63 2PX 0.00699 0.00208 0.00000 0.00000 0.00000 64 2PY -0.01205 0.04049 0.00000 0.09224 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 66 3S -0.21850 -0.06502 0.00000 0.00000 0.00000 67 3PX 1.73592 0.51655 0.00000 -0.00001 0.00000 68 3PY 0.08016 -0.26939 0.00000 -0.49453 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00015 70 4XX -0.06849 -0.02038 0.00000 0.00000 0.00000 71 4YY 0.01302 0.00387 0.00000 -0.00000 0.00000 72 4ZZ 0.01140 0.00339 0.00000 0.00000 0.00000 73 4XY -0.00593 0.01992 0.00000 0.05376 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00010 75 4YZ 0.00000 0.00000 0.18791 0.00000 -0.13828 76 6 C 1S 0.00724 0.00523 0.00000 0.00460 0.00000 77 2S 0.36857 0.17556 0.00000 0.13995 0.00000 78 2PX 0.05397 0.03143 0.00000 0.05071 0.00000 79 2PY 0.07265 0.07928 0.00000 0.21552 0.00000 80 2PZ 0.00000 0.00000 -0.00713 0.00000 0.00829 81 3S -0.76550 -0.41435 0.00000 -0.21453 0.00000 82 3PX -0.33113 -0.25997 0.00000 -0.29183 0.00000 83 3PY 1.53918 0.28170 0.00000 -0.50338 0.00000 84 3PZ 0.00000 0.00000 0.00598 0.00000 -0.02535 85 4XX -0.01029 -0.00617 0.00000 0.01206 0.00000 86 4YY 0.08059 0.02885 0.00000 0.01493 0.00000 87 4ZZ -0.02043 -0.00664 0.00000 -0.01539 0.00000 88 4XY -0.03955 -0.00242 0.00000 0.00908 0.00000 89 4XZ 0.00000 0.00000 -0.16980 0.00000 0.11996 90 4YZ 0.00000 0.00000 -0.08464 0.00000 0.06433 91 7 C 1S -0.01350 -0.01187 0.00000 0.00145 0.00000 92 2S -0.46441 -0.23156 0.00000 -0.15053 0.00000 93 2PX -0.17144 -0.03096 0.00000 0.17494 0.00000 94 2PY 0.13031 0.04956 0.00000 0.39058 0.00000 95 2PZ 0.00000 0.00000 0.00188 0.00000 -0.01134 96 3S 0.49040 1.08411 0.00000 1.15243 0.00000 97 3PX 0.65515 -0.24998 0.00000 -0.72857 0.00000 98 3PY -2.20242 -0.87782 0.00000 -2.28887 0.00000 99 3PZ 0.00000 0.00000 -0.01068 0.00000 0.04386 100 4XX -0.04286 -0.01623 0.00000 -0.00349 0.00000 101 4YY -0.04632 -0.02324 0.00000 0.03766 0.00000 102 4ZZ 0.02703 0.01114 0.00000 -0.03554 0.00000 103 4XY -0.00610 -0.03403 0.00000 0.03072 0.00000 104 4XZ 0.00000 0.00000 0.17962 0.00000 -0.12279 105 4YZ 0.00000 0.00000 -0.08895 0.00000 0.04981 106 8 H 1S -0.04864 -0.10698 0.00000 0.13460 0.00000 107 2S -1.80931 -1.38664 0.00000 -3.59142 0.00000 108 9 H 1S 0.41864 0.13705 0.00000 -0.14859 0.00000 109 2S 0.67343 0.20396 0.00000 -0.01424 0.00000 110 10 H 1S -0.46595 -0.13865 0.00000 0.00000 0.00000 111 2S -0.69641 -0.20723 0.00000 0.00000 0.00000 112 11 H 1S 0.42546 0.11412 0.00000 0.14859 0.00000 113 2S 0.67538 0.19740 0.00000 0.01423 0.00000 114 12 H 1S -0.09921 0.06298 0.00000 -0.13460 0.00000 115 2S -2.27307 0.17189 0.00000 3.59142 0.00000 116 13 C 1S 0.00307 -0.00291 0.00000 0.00000 0.00000 117 2S -0.28525 0.27002 0.00000 -0.00000 0.00000 118 2PX -0.16926 -0.06902 0.00000 -0.11199 0.00000 119 2PY 0.02886 -0.15967 0.00000 -0.06466 0.00000 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.04870 121 3S -1.04507 0.98930 0.00000 -0.00001 0.00000 122 3PX 1.33275 -0.23635 0.00000 0.42077 0.00000 123 3PY -1.12631 1.65811 0.00000 0.24295 0.00000 124 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.12836 125 4XX -0.02490 0.04456 0.00000 -0.01846 0.00000 126 4YY -0.03064 0.00802 0.00000 0.01846 0.00000 127 4ZZ 0.01198 -0.01134 0.00000 0.00000 0.00000 128 4XY -0.02220 0.00703 0.00000 0.01231 0.00000 129 4XZ 0.00000 0.00000 -0.18147 0.00000 0.13967 130 4YZ 0.00000 0.00000 -0.10477 0.00000 -0.33986 131 14 C 1S 0.01702 -0.00575 0.00000 0.00145 0.00000 132 2S 0.43274 -0.28641 0.00000 -0.15053 0.00000 133 2PX 0.03733 -0.00977 0.00000 -0.42572 0.00000 134 2PY 0.15149 -0.15921 0.00000 -0.04379 0.00000 135 2PZ 0.00000 0.00000 0.00188 0.00000 0.00585 136 3S -1.18407 -0.11736 0.00000 1.15243 0.00000 137 3PX -1.55650 0.92553 0.00000 2.34651 0.00000 138 3PY -1.02692 1.33383 0.00000 0.51347 0.00000 139 3PZ 0.00000 0.00000 -0.01068 0.00000 0.09242 140 4XX 0.06573 -0.01983 0.00000 0.05041 0.00000 141 4YY 0.01305 -0.03767 0.00000 -0.01624 0.00000 142 4ZZ -0.02316 0.01784 0.00000 -0.03554 0.00000 143 4XY -0.01236 -0.00561 0.00000 0.00522 0.00000 144 4XZ 0.00000 0.00000 -0.01278 0.00000 0.13345 145 4YZ 0.00000 0.00000 0.20003 0.00000 0.19522 146 15 C 1S -0.00815 0.00366 0.00000 0.00460 0.00000 147 2S -0.33633 0.23141 0.00000 0.13995 0.00000 148 2PX 0.11802 -0.03567 0.00000 -0.21200 0.00000 149 2PY 0.00555 0.01523 0.00000 -0.06384 0.00000 150 2PZ 0.00000 0.00000 -0.00713 0.00000 -0.00474 151 3S 0.74159 -0.45576 0.00000 -0.21453 0.00000 152 3PX 0.68241 -0.95401 0.00000 0.58185 0.00000 153 3PY 0.84514 -0.73184 0.00000 -0.00104 0.00000 154 3PZ 0.00000 0.00000 0.00598 0.00000 -0.06880 155 4XX -0.02993 0.01529 0.00000 0.02102 0.00000 156 4YY -0.02485 0.03426 0.00000 0.00597 0.00000 157 4ZZ 0.01597 -0.01438 0.00000 -0.01539 0.00000 158 4XY -0.04881 0.04712 0.00000 -0.00311 0.00000 159 4XZ 0.00000 0.00000 0.15820 0.00000 0.12590 160 4YZ 0.00000 0.00000 -0.10473 0.00000 -0.04626 161 16 C 1S 0.00243 -0.00230 0.00000 -0.00000 0.00000 162 2S 0.24932 -0.23601 0.00000 0.00000 0.00000 163 2PX 0.02780 0.02406 0.00000 -0.07988 0.00000 164 2PY 0.00993 0.01968 0.00000 -0.04612 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00342 166 3S 0.16556 -0.15672 0.00000 0.00000 0.00000 167 3PX 0.49032 -0.79931 0.00000 0.42828 0.00000 168 3PY -1.23570 0.97621 0.00000 0.24726 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.09709 170 4XX -0.00514 -0.01660 0.00000 0.04032 0.00000 171 4YY 0.04717 -0.02319 0.00000 -0.04032 0.00000 172 4ZZ -0.00864 0.00818 0.00000 0.00000 0.00000 173 4XY -0.02374 0.03678 0.00000 -0.02688 0.00000 174 4XZ 0.00000 0.00000 -0.16273 0.00000 -0.09261 175 4YZ 0.00000 0.00000 -0.09395 0.00000 0.02243 176 17 C 1S -0.00410 0.00793 0.00000 -0.00460 0.00000 177 2S -0.24950 0.32314 0.00000 -0.13996 0.00000 178 2PX -0.00814 0.06347 0.00000 -0.16129 0.00000 179 2PY -0.04390 0.09717 0.00000 -0.15167 0.00000 180 2PZ 0.00000 0.00000 0.00713 0.00000 0.00353 181 3S 0.49571 -0.71549 0.00000 0.21455 0.00000 182 3PX -1.16794 1.01061 0.00000 0.29001 0.00000 183 3PY -0.46881 0.14294 0.00000 0.50441 0.00000 184 3PZ 0.00000 0.00000 -0.00598 0.00000 -0.09421 185 4XX -0.06819 0.05908 0.00000 -0.00740 0.00000 186 4YY 0.01572 -0.00710 0.00000 -0.01958 0.00000 187 4ZZ 0.01523 -0.01516 0.00000 0.01539 0.00000 188 4XY -0.01553 0.02613 0.00000 -0.00597 0.00000 189 4XZ 0.00000 0.00000 -0.01160 0.00000 -0.02718 190 4YZ 0.00000 0.00000 0.18937 0.00000 0.00348 191 18 C 1S 0.00668 -0.01668 0.00000 -0.00145 0.00000 192 2S 0.30970 -0.41639 0.00000 0.15054 0.00000 193 2PX -0.15077 0.14181 0.00000 -0.25079 0.00000 194 2PY 0.07341 -0.03945 0.00000 -0.34679 0.00000 195 2PZ 0.00000 0.00000 -0.00188 0.00000 -0.00547 196 3S 0.05228 1.18871 0.00000 -1.15245 0.00000 197 3PX 1.70685 -1.57641 0.00000 1.61794 0.00000 198 3PY 0.18017 -0.82588 0.00000 1.77539 0.00000 199 3PZ 0.00000 0.00000 0.01068 0.00000 0.13635 200 4XX 0.03829 -0.01487 0.00000 -0.00433 0.00000 201 4YY 0.02344 -0.06063 0.00000 -0.02983 0.00000 202 4ZZ -0.01908 0.02215 0.00000 0.03554 0.00000 203 4XY -0.00500 -0.02047 0.00000 -0.03594 0.00000 204 4XZ 0.00000 0.00000 0.16684 0.00000 -0.13177 205 4YZ 0.00000 0.00000 -0.11108 0.00000 -0.09930 206 19 H 1S -0.00494 -0.11741 0.00000 -0.13460 0.00000 207 2S 0.98768 -2.05448 0.00000 3.59142 0.00000 208 20 H 1S -0.31156 0.31140 0.00000 0.14859 0.00000 209 2S -0.50864 0.48620 0.00000 0.01423 0.00000 210 21 H 1S 0.35305 -0.33420 0.00000 0.00000 0.00000 211 2S 0.52767 -0.49949 0.00000 0.00000 0.00000 212 22 H 1S -0.32801 0.29403 0.00000 -0.14859 0.00000 213 2S -0.51335 0.48123 0.00000 -0.01424 0.00000 214 23 H 1S 0.11697 0.01137 0.00000 0.13460 0.00000 215 2S 2.10552 -0.87359 0.00000 -3.59142 0.00000 216 24 C 1S 0.00098 0.00411 0.00000 0.00000 0.00000 217 2S -0.09122 -0.38204 0.00000 -0.00000 0.00000 218 2PX -0.17946 -0.03475 0.00000 0.11199 0.00000 219 2PY 0.06313 -0.14948 0.00000 -0.06465 0.00000 220 2PZ 0.00000 0.00000 0.00000 0.00000 -0.04863 221 3S -0.33423 -1.39971 0.00000 -0.00001 0.00000 222 3PX 0.98672 0.92654 0.00000 -0.42078 0.00000 223 3PY 0.03657 2.00414 0.00000 0.24292 0.00000 224 3PZ 0.00000 0.00000 -0.00000 0.00000 0.12816 225 4XX 0.00351 -0.05093 0.00000 0.01846 0.00000 226 4YY -0.02127 -0.02347 0.00000 -0.01846 0.00000 227 4ZZ 0.00383 0.01604 0.00000 0.00000 0.00000 228 4XY 0.01475 0.01802 0.00000 0.01231 0.00000 229 4XZ 0.00000 0.00000 0.18147 0.00000 -0.13920 230 4YZ 0.00000 0.00000 -0.10477 0.00000 -0.33950 231 25 C 1S -0.00353 0.01762 0.00000 0.00145 0.00000 232 2S 0.03167 0.51797 0.00000 -0.15053 0.00000 233 2PX -0.04871 -0.20117 0.00000 0.25079 0.00000 234 2PY -0.03990 -0.07317 0.00000 -0.34679 0.00000 235 2PZ 0.00000 0.00000 0.00188 0.00000 0.00549 236 3S 0.69367 -0.96675 0.00000 1.15243 0.00000 237 3PX 0.56734 2.25312 0.00000 -1.61793 0.00000 238 3PY 0.30067 -0.79002 0.00000 1.77540 0.00000 239 3PZ 0.00000 0.00000 -0.01068 0.00000 -0.13628 240 4XX 0.02393 0.03339 0.00000 0.00433 0.00000 241 4YY -0.01353 0.06358 0.00000 0.02983 0.00000 242 4ZZ -0.00386 -0.02898 0.00000 -0.03554 0.00000 243 4XY 0.01538 -0.01440 0.00000 -0.03594 0.00000 244 4XZ 0.00000 0.00000 -0.16684 0.00000 0.13125 245 4YZ 0.00000 0.00000 -0.11108 0.00000 -0.09939 246 26 C 1S 0.00091 -0.00888 0.00000 0.00460 0.00000 247 2S -0.03224 -0.40697 0.00000 0.13995 0.00000 248 2PX 0.02789 -0.05759 0.00000 0.16129 0.00000 249 2PY -0.01637 0.10536 0.00000 -0.15167 0.00000 250 2PZ 0.00000 0.00000 -0.00713 0.00000 -0.00355 251 3S 0.02391 0.87012 0.00000 -0.21453 0.00000 252 3PX -0.42542 -1.48474 0.00000 -0.29002 0.00000 253 3PY 0.31441 0.37599 0.00000 0.50442 0.00000 254 3PZ 0.00000 0.00000 0.00598 0.00000 0.09415 255 4XX -0.02480 -0.08675 0.00000 0.00740 0.00000 256 4YY 0.00928 0.01454 0.00000 0.01958 0.00000 257 4ZZ 0.00447 0.02102 0.00000 -0.01539 0.00000 258 4XY -0.00129 0.03037 0.00000 -0.00597 0.00000 259 4XZ 0.00000 0.00000 0.01160 0.00000 0.02716 260 4YZ 0.00000 0.00000 0.18937 0.00000 0.00389 261 27 C 1S 0.00078 0.00325 0.00000 -0.00000 0.00000 262 2S 0.07973 0.33392 0.00000 0.00000 0.00000 263 2PX 0.03643 -0.00495 0.00000 0.07988 0.00000 264 2PY -0.01908 0.01105 0.00000 -0.04612 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00341 266 3S 0.05294 0.22174 0.00000 0.00000 0.00000 267 3PX -0.02645 0.93734 0.00000 -0.42827 0.00000 268 3PY 0.50095 1.49297 0.00000 0.24727 0.00000 269 3PZ 0.00000 0.00000 0.00000 0.00000 -0.09694 270 4XX -0.01338 0.01109 0.00000 -0.04032 0.00000 271 4YY 0.02682 0.04521 0.00000 0.04032 0.00000 272 4ZZ -0.00276 -0.01157 0.00000 0.00000 0.00000 273 4XY -0.00023 0.04377 0.00000 -0.02688 0.00000 274 4XZ 0.00000 0.00000 0.16273 0.00000 0.09283 275 4YZ 0.00000 0.00000 -0.09395 0.00000 0.02219 276 28 C 1S -0.00482 -0.00752 0.00000 -0.00460 0.00000 277 2S -0.15510 -0.37764 0.00000 -0.13996 0.00000 278 2PX 0.07932 0.09439 0.00000 0.21200 0.00000 279 2PY -0.01298 0.00971 0.00000 -0.06384 0.00000 280 2PZ 0.00000 0.00000 0.00713 0.00000 0.00476 281 3S 0.37178 0.78704 0.00000 0.21455 0.00000 282 3PX 0.04982 1.17189 0.00000 -0.58184 0.00000 283 3PY -0.30754 -1.07482 0.00000 -0.00105 0.00000 284 3PZ 0.00000 0.00000 -0.00598 0.00000 0.06862 285 4XX -0.01671 -0.02916 0.00000 -0.02102 0.00000 286 4YY -0.00208 -0.04227 0.00000 -0.00597 0.00000 287 4ZZ 0.00551 0.02077 0.00000 0.01539 0.00000 288 4XY 0.01511 0.06614 0.00000 -0.00310 0.00000 289 4XZ 0.00000 0.00000 -0.15820 0.00000 -0.12606 290 4YZ 0.00000 0.00000 -0.10473 0.00000 -0.04641 291 29 C 1S 0.01111 0.01413 0.00000 -0.00145 0.00000 292 2S 0.20575 0.47640 0.00000 0.15054 0.00000 293 2PX 0.02591 0.02859 0.00000 0.42572 0.00000 294 2PY -0.03980 -0.21613 0.00000 -0.04380 0.00000 295 2PZ 0.00000 0.00000 -0.00188 0.00000 -0.00587 296 3S -1.05560 -0.54908 0.00000 -1.15245 0.00000 297 3PX -0.79729 -1.62593 0.00000 -2.34650 0.00000 298 3PY 0.13065 1.67825 0.00000 0.51348 0.00000 299 3PZ 0.00000 0.00000 0.01068 0.00000 -0.09214 300 4XX 0.04420 0.05253 0.00000 -0.05041 0.00000 301 4YY -0.00967 0.03867 0.00000 0.01624 0.00000 302 4ZZ -0.00964 -0.02760 0.00000 0.03554 0.00000 303 4XY 0.01342 0.00206 0.00000 0.00522 0.00000 304 4XZ 0.00000 0.00000 0.01278 0.00000 -0.13319 305 4YZ 0.00000 0.00000 0.20003 0.00000 0.19532 306 30 H 1S 0.10415 0.05443 0.00000 -0.13460 0.00000 307 2S 1.28539 1.88259 0.00000 3.59142 0.00000 308 31 H 1S -0.11390 -0.42552 0.00000 0.14859 0.00000 309 2S -0.16674 -0.68360 0.00000 0.01423 0.00000 310 32 H 1S 0.11290 0.47285 0.00000 0.00000 0.00000 311 2S 0.16874 0.70672 0.00000 0.00000 0.00000 312 33 H 1S -0.09063 -0.43108 0.00000 -0.14859 0.00000 313 2S -0.16008 -0.68519 0.00000 -0.01424 0.00000 314 34 H 1S -0.06833 0.09561 0.00000 0.13460 0.00000 315 2S -0.29621 2.26023 0.00000 -3.59142 0.00000 191 192 193 194 195 (E")--V (A')--V (E')--V (E')--V (A")--V Eigenvalues -- 1.13782 1.21280 1.21764 1.21764 1.28420 1 1 C 1S 0.00000 -0.02693 0.00000 0.00000 0.00000 2 2S 0.00000 0.39985 -0.00000 -0.00000 0.00000 3 2PX 0.00000 0.00000 0.05278 0.07556 0.00000 4 2PY 0.00000 -0.00000 -0.07556 0.05278 0.00000 5 2PZ -0.00000 0.00000 0.00000 0.00000 0.08122 6 3S 0.00000 2.71443 -0.00000 -0.00000 0.00000 7 3PX 0.00000 -0.00000 -0.41661 -0.59645 0.00000 8 3PY 0.00000 -0.00000 0.59645 -0.41661 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 -0.26970 10 4XX 0.00000 -0.02992 0.00336 0.00482 0.00000 11 4YY 0.00000 -0.02992 -0.00336 -0.00482 0.00000 12 4ZZ 0.00000 0.07918 -0.00000 -0.00000 0.00000 13 4XY 0.00000 0.00000 0.00556 -0.00388 0.00000 14 4XZ -0.39206 0.00000 0.00000 0.00000 0.00000 15 4YZ -0.00052 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.03352 0.03076 0.04404 0.00000 17 2S 0.00000 -0.43111 0.57101 0.81759 0.00000 18 2PX 0.00000 -0.19549 -0.08973 -0.12848 0.00000 19 2PY 0.00000 0.00000 0.11161 -0.07795 0.00000 20 2PZ -0.05619 0.00000 0.00000 0.00000 -0.04321 21 3S 0.00000 2.38121 -3.68793 -5.28048 0.00000 22 3PX 0.00000 2.61643 -0.86434 -1.23757 0.00000 23 3PY 0.00000 -0.00002 -2.31455 1.61653 0.00000 24 3PZ 0.14810 0.00000 0.00000 0.00000 0.15639 25 4XX 0.00000 -0.07567 0.05888 0.08431 0.00000 26 4YY 0.00000 -0.03869 0.02445 0.03501 0.00000 27 4ZZ 0.00000 0.09859 -0.03883 -0.05560 0.00000 28 4XY 0.00000 -0.00000 -0.02061 0.01439 0.00000 29 4XZ 0.42018 0.00000 0.00000 0.00000 -0.02539 30 4YZ 0.00013 0.00000 0.00000 0.00000 -0.00000 31 3 C 1S 0.00000 0.01227 0.00125 0.00259 0.00000 32 2S 0.00000 0.36401 -0.28140 -0.33251 0.00000 33 2PX 0.00000 0.17123 0.36561 0.10254 0.00000 34 2PY 0.00000 -0.04183 0.15014 0.16044 0.00000 35 2PZ -0.00023 0.00000 0.00000 0.00000 0.02067 36 3S 0.00000 -1.64858 0.41951 0.04575 0.00000 37 3PX 0.00000 -0.36215 -3.46320 -0.65925 0.00000 38 3PY 0.00000 1.30388 -2.74497 -1.47276 0.00000 39 3PZ -0.13192 0.00000 0.00000 0.00000 -0.03685 40 4XX 0.00000 0.03530 0.01769 -0.01489 0.00000 41 4YY 0.00000 -0.06936 -0.02668 0.02807 0.00000 42 4ZZ 0.00000 0.04627 -0.01130 -0.02455 0.00000 43 4XY 0.00000 -0.00160 -0.01117 -0.02100 0.00000 44 4XZ -0.04760 0.00000 0.00000 0.00000 -0.12922 45 4YZ -0.21753 0.00000 0.00000 0.00000 0.10358 46 4 C 1S 0.00000 0.00124 -0.01172 -0.00684 0.00000 47 2S 0.00000 0.00656 -0.11708 -0.18315 0.00000 48 2PX 0.00000 -0.09695 -0.03494 0.00609 0.00000 49 2PY 0.00000 0.02445 -0.07142 0.04763 0.00000 50 2PZ 0.00071 0.00000 0.00000 0.00000 0.04913 51 3S 0.00000 -0.22861 2.66243 1.25983 0.00000 52 3PX 0.00000 0.31214 -1.29061 -0.40894 0.00000 53 3PY 0.00000 0.35925 1.22784 0.01586 0.00000 54 3PZ 0.09401 0.00000 0.00000 0.00000 0.03260 55 4XX 0.00000 0.02801 0.05560 -0.01045 0.00000 56 4YY 0.00000 -0.06557 -0.05607 0.00786 0.00000 57 4ZZ 0.00000 0.03976 -0.01156 -0.01165 0.00000 58 4XY 0.00000 0.01247 -0.04003 -0.02201 0.00000 59 4XZ 0.05001 0.00000 0.00000 0.00000 0.14616 60 4YZ -0.06222 0.00000 0.00000 0.00000 0.22609 61 5 C 1S 0.00000 -0.01488 0.00647 0.00926 0.00000 62 2S 0.00000 -0.33929 0.27920 0.39976 0.00000 63 2PX 0.00000 0.16493 -0.11986 -0.17162 0.00000 64 2PY 0.00000 -0.00000 0.01689 -0.01180 0.00000 65 2PZ -0.00394 0.00000 0.00000 0.00000 0.05640 66 3S 0.00000 0.73923 -0.12710 -0.18200 0.00000 67 3PX 0.00000 -1.91103 0.60374 0.86446 0.00000 68 3PY 0.00000 0.00000 0.31923 -0.22295 0.00000 69 3PZ -0.11203 0.00000 0.00000 0.00000 -0.04695 70 4XX 0.00000 -0.00049 -0.00790 -0.01131 0.00000 71 4YY 0.00000 -0.06452 0.03902 0.05587 0.00000 72 4ZZ 0.00000 0.05326 -0.01615 -0.02313 0.00000 73 4XY 0.00000 -0.00000 0.00056 -0.00039 0.00000 74 4XZ -0.07584 0.00000 0.00000 0.00000 0.27132 75 4YZ 0.00018 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00124 -0.00239 -0.01336 0.00000 77 2S 0.00000 0.00656 -0.13164 -0.17297 0.00000 78 2PX 0.00000 -0.09695 0.01775 -0.03071 0.00000 79 2PY 0.00000 -0.02445 -0.06931 0.05066 0.00000 80 2PZ 0.00069 0.00000 0.00000 0.00000 0.04913 81 3S 0.00000 -0.22862 0.26618 2.93340 0.00000 82 3PX 0.00000 0.31215 0.06040 -1.35250 0.00000 83 3PY 0.00000 -0.35924 0.40782 -1.15822 0.00000 84 3PZ 0.09408 0.00000 0.00000 0.00000 0.03260 85 4XX 0.00000 0.02801 -0.02895 0.04860 0.00000 86 4YY 0.00000 -0.06557 0.02668 -0.04993 0.00000 87 4ZZ 0.00000 0.03976 -0.00695 -0.01487 0.00000 88 4XY 0.00000 -0.01247 0.00688 0.04516 0.00000 89 4XZ 0.04969 0.00000 0.00000 0.00000 0.14616 90 4YZ 0.06205 0.00000 0.00000 0.00000 -0.22609 91 7 C 1S 0.00000 0.01227 0.00200 0.00206 0.00000 92 2S 0.00000 0.36401 -0.21530 -0.37868 0.00000 93 2PX 0.00000 0.17123 -0.02961 0.37856 0.00000 94 2PY 0.00000 0.04183 -0.09894 -0.19619 0.00000 95 2PZ -0.00020 0.00000 0.00000 0.00000 0.02067 96 3S 0.00000 -1.64859 -0.10147 0.40964 0.00000 97 3PX 0.00000 -0.36212 0.57336 -3.47845 0.00000 98 3PY 0.00000 -1.30388 0.43767 3.08420 0.00000 99 3PZ -0.13204 0.00000 0.00000 0.00000 -0.03685 100 4XX 0.00000 0.03530 -0.02007 0.01149 0.00000 101 4YY 0.00000 -0.06936 0.03554 -0.01538 0.00000 102 4ZZ 0.00000 0.04627 -0.01915 -0.01906 0.00000 103 4XY 0.00000 0.00160 0.01588 0.01771 0.00000 104 4XZ -0.04728 0.00000 0.00000 0.00000 -0.12922 105 4YZ 0.21740 0.00000 0.00000 0.00000 -0.10358 106 8 H 1S 0.00000 -0.10852 0.08468 -0.00831 0.00000 107 2S 0.00000 -0.34615 0.35930 2.02972 0.00000 108 9 H 1S 0.00000 -0.10106 0.05087 -0.24668 0.00000 109 2S 0.00000 -0.14005 0.08882 -0.39779 0.00000 110 10 H 1S 0.00000 0.42447 -0.09955 -0.14254 0.00000 111 2S 0.00000 0.67593 -0.17025 -0.24377 0.00000 112 11 H 1S 0.00000 -0.10106 -0.24911 -0.03717 0.00000 113 2S 0.00000 -0.14005 -0.40405 -0.05356 0.00000 114 12 H 1S 0.00000 -0.10852 -0.03696 0.07664 0.00000 115 2S 0.00000 -0.34617 1.78194 1.03614 0.00000 116 13 C 1S 0.00000 -0.03352 -0.05352 0.00462 0.00000 117 2S 0.00000 -0.43111 -0.99356 0.08572 0.00000 118 2PX 0.00000 0.09775 -0.08820 -0.11072 0.00000 119 2PY 0.00000 -0.16930 0.12936 -0.07948 0.00000 120 2PZ 0.02803 0.00000 0.00000 0.00000 -0.04321 121 3S 0.00000 2.38121 6.41699 -0.55361 0.00000 122 3PX 0.00000 -1.30820 -0.54180 2.50077 0.00000 123 3PY 0.00000 2.26590 1.42379 1.29399 0.00000 124 3PZ -0.07388 0.00000 0.00000 0.00000 0.15639 125 4XX 0.00000 -0.04794 -0.05914 -0.01382 0.00000 126 4YY 0.00000 -0.06643 -0.08585 0.02633 0.00000 127 4ZZ 0.00000 0.09859 0.06756 -0.00583 0.00000 128 4XY 0.00000 0.01849 0.03103 0.00994 0.00000 129 4XZ 0.17849 0.00000 0.00000 0.00000 0.01270 130 4YZ -0.13899 0.00000 0.00000 0.00000 -0.02199 131 14 C 1S 0.00000 0.01227 -0.00279 0.00070 0.00000 132 2S 0.00000 0.36401 0.43559 0.00289 0.00000 133 2PX 0.00000 -0.12184 -0.03347 0.09671 0.00000 134 2PY 0.00000 0.12737 -0.38079 -0.19233 0.00000 135 2PZ -0.00972 0.00000 0.00000 0.00000 0.02067 136 3S 0.00000 -1.64859 -0.30402 -0.29270 0.00000 137 3PX 0.00000 1.31025 1.13979 -0.11064 0.00000 138 3PY 0.00000 0.33834 3.80548 2.51777 0.00000 139 3PZ 0.10401 0.00000 0.00000 0.00000 -0.03685 140 4XX 0.00000 -0.04200 -0.02077 0.02674 0.00000 141 4YY 0.00000 0.00794 0.01641 -0.01139 0.00000 142 4ZZ 0.00000 0.04627 0.02609 -0.00706 0.00000 143 4XY 0.00000 -0.05313 0.00937 0.02835 0.00000 144 4XZ 0.09812 0.00000 0.00000 0.00000 0.15431 145 4YZ -0.03884 0.00000 0.00000 0.00000 -0.06012 146 15 C 1S 0.00000 0.00124 0.01277 0.00461 0.00000 147 2S 0.00000 0.00656 0.21562 -0.02752 0.00000 148 2PX 0.00000 0.06965 -0.00088 0.05856 0.00000 149 2PY 0.00000 -0.07174 0.01996 0.06929 0.00000 150 2PZ 0.00683 0.00000 0.00000 0.00000 0.04913 151 3S 0.00000 -0.22862 -2.67349 -1.23619 0.00000 152 3PX 0.00000 0.15503 -1.26262 -1.17167 0.00000 153 3PY 0.00000 0.44995 0.58865 0.16480 0.00000 154 3PZ -0.06899 0.00000 0.00000 0.00000 0.03260 155 4XX 0.00000 -0.05152 -0.01639 0.01124 0.00000 156 4YY 0.00000 0.01397 0.01868 -0.01255 0.00000 157 4ZZ 0.00000 0.03976 0.01635 0.00141 0.00000 158 4XY 0.00000 -0.04056 0.05003 0.05704 0.00000 159 4XZ -0.06090 0.00000 0.00000 0.00000 0.12272 160 4YZ 0.05611 0.00000 0.00000 0.00000 0.23962 161 16 C 1S 0.00000 -0.01488 -0.01125 0.00097 0.00000 162 2S 0.00000 -0.33929 -0.48581 0.04191 0.00000 163 2PX 0.00000 -0.08246 -0.10581 -0.00878 0.00000 164 2PY 0.00000 0.14283 0.17973 -0.02585 0.00000 165 2PZ 0.00197 0.00000 0.00000 0.00000 0.05640 166 3S 0.00000 0.73923 0.22117 -0.01907 0.00000 167 3PX 0.00000 0.95551 0.49627 -0.38127 0.00000 168 3PY 0.00000 -1.65500 -0.92651 -0.11549 0.00000 169 3PZ 0.05589 0.00000 0.00000 0.00000 -0.04695 170 4XX 0.00000 -0.04851 -0.04744 0.00461 0.00000 171 4YY 0.00000 -0.01650 -0.00671 0.00006 0.00000 172 4ZZ 0.00000 0.05326 0.02811 -0.00242 0.00000 173 4XY 0.00000 -0.03201 -0.04085 0.00318 0.00000 174 4XZ 0.08487 0.00000 0.00000 0.00000 -0.13566 175 4YZ 0.09269 0.00000 0.00000 0.00000 0.23497 176 17 C 1S 0.00000 0.00124 0.01179 -0.00673 0.00000 177 2S 0.00000 0.00656 0.21715 -0.00982 0.00000 178 2PX 0.00000 0.02730 -0.00130 0.09085 0.00000 179 2PY 0.00000 -0.09619 0.01333 0.01399 0.00000 180 2PZ -0.00753 0.00000 0.00000 0.00000 0.04913 181 3S 0.00000 -0.22861 -2.42226 1.67582 0.00000 182 3PX 0.00000 -0.46719 0.04384 -0.45739 0.00000 183 3PY 0.00000 0.09070 1.17938 -1.31859 0.00000 184 3PZ -0.02484 0.00000 0.00000 0.00000 0.03260 185 4XX 0.00000 -0.03282 0.04054 -0.04377 0.00000 186 4YY 0.00000 -0.00473 -0.03806 0.04466 0.00000 187 4ZZ 0.00000 0.03976 0.01587 -0.00419 0.00000 188 4XY 0.00000 -0.05302 0.00045 -0.04110 0.00000 189 4XZ -0.01068 0.00000 0.00000 0.00000 -0.26887 190 4YZ -0.15486 0.00000 0.00000 0.00000 0.01353 191 18 C 1S 0.00000 0.01227 -0.00287 -0.00022 0.00000 192 2S 0.00000 0.36401 0.42866 -0.07745 0.00000 193 2PX 0.00000 -0.04939 0.32114 -0.17581 0.00000 194 2PY 0.00000 0.16921 -0.12821 0.20491 0.00000 195 2PZ 0.00994 0.00000 0.00000 0.00000 0.02067 196 3S 0.00000 -1.64858 -0.24937 0.34043 0.00000 197 3PX 0.00000 -0.94812 -3.44444 2.75580 0.00000 198 3PY 0.00000 -0.96557 0.67009 -1.49152 0.00000 199 3PZ 0.02767 0.00000 0.00000 0.00000 -0.03685 200 4XX 0.00000 -0.04439 0.01061 -0.02154 0.00000 201 4YY 0.00000 0.01034 -0.01754 0.00717 0.00000 202 4ZZ 0.00000 0.04627 0.02691 0.00248 0.00000 203 4XY 0.00000 -0.05153 -0.01940 -0.03037 0.00000 204 4XZ -0.19614 0.00000 0.00000 0.00000 -0.02509 205 4YZ 0.03691 0.00000 0.00000 0.00000 -0.16369 206 19 H 1S 0.00000 -0.10852 -0.04790 -0.07033 0.00000 207 2S 0.00000 -0.34617 -1.78829 1.02514 0.00000 208 20 H 1S 0.00000 -0.10106 0.15675 -0.19716 0.00000 209 2S 0.00000 -0.14005 0.24841 -0.32314 0.00000 210 21 H 1S 0.00000 0.42447 0.17321 -0.01494 0.00000 211 2S 0.00000 0.67593 0.29624 -0.02555 0.00000 212 22 H 1S 0.00000 -0.10106 0.18820 0.16739 0.00000 213 2S 0.00000 -0.14005 0.30008 0.27582 0.00000 214 23 H 1S 0.00000 -0.10852 -0.03514 0.07749 0.00000 215 2S 0.00000 -0.34615 -1.93744 -0.70370 0.00000 216 24 C 1S 0.00000 -0.03352 0.02276 -0.04866 0.00000 217 2S 0.00000 -0.43111 0.42255 -0.90330 0.00000 218 2PX 0.00000 0.09775 -0.07359 -0.12093 0.00000 219 2PY 0.00000 0.16930 0.11916 -0.09409 0.00000 220 2PZ 0.02816 0.00000 0.00000 0.00000 -0.04321 221 3S 0.00000 2.38121 -2.72906 5.83408 0.00000 222 3PX 0.00000 -1.30823 2.53443 0.35227 0.00000 223 3PY 0.00000 -2.26589 -0.72471 -1.78224 0.00000 224 3PZ -0.07422 0.00000 0.00000 0.00000 0.15639 225 4XX 0.00000 -0.04794 0.00739 -0.06028 0.00000 226 4YY 0.00000 -0.06643 0.05428 -0.07154 0.00000 227 4ZZ 0.00000 0.09859 -0.02873 0.06143 0.00000 228 4XY 0.00000 -0.01849 0.00135 -0.03256 0.00000 229 4XZ 0.17886 0.00000 0.00000 0.00000 0.01270 230 4YZ 0.13988 0.00000 0.00000 0.00000 0.02199 231 25 C 1S 0.00000 0.01227 0.00078 -0.00277 0.00000 232 2S 0.00000 0.36401 -0.22030 0.37579 0.00000 233 2PX 0.00000 -0.04939 -0.27563 0.24098 0.00000 234 2PY 0.00000 -0.16920 -0.23652 0.04983 0.00000 235 2PZ 0.00993 0.00000 0.00000 0.00000 0.02067 236 3S 0.00000 -1.64859 0.40549 -0.11694 0.00000 237 3PX 0.00000 -0.94813 3.77318 -2.28509 0.00000 238 3PY 0.00000 0.96554 1.63103 -0.11562 0.00000 239 3PZ 0.02803 0.00000 0.00000 0.00000 -0.03685 240 4XX 0.00000 -0.04439 -0.02388 0.00255 0.00000 241 4YY 0.00000 0.01033 0.01277 -0.01400 0.00000 242 4ZZ 0.00000 0.04627 -0.00693 0.02612 0.00000 243 4XY 0.00000 0.05153 0.02184 0.02867 0.00000 244 4XZ -0.19648 0.00000 0.00000 0.00000 -0.02509 245 4YZ -0.03664 0.00000 0.00000 0.00000 0.16369 246 26 C 1S 0.00000 0.00124 -0.01038 0.00875 0.00000 247 2S 0.00000 0.00656 -0.08398 0.20049 0.00000 248 2PX 0.00000 0.02730 0.08574 0.03005 0.00000 249 2PY 0.00000 0.09619 -0.00855 -0.01733 0.00000 250 2PZ -0.00752 0.00000 0.00000 0.00000 0.04913 251 3S 0.00000 -0.22862 2.40731 -1.69722 0.00000 252 3PX 0.00000 -0.46718 -0.44451 -0.11631 0.00000 253 3PY 0.00000 -0.09071 1.64401 -0.65331 0.00000 254 3PZ -0.02508 0.00000 0.00000 0.00000 0.03260 255 4XX 0.00000 -0.03282 -0.05505 0.02299 0.00000 256 4YY 0.00000 -0.00473 0.05503 -0.02036 0.00000 257 4ZZ 0.00000 0.03976 -0.00940 0.01345 0.00000 258 4XY 0.00000 0.05302 0.03874 0.01372 0.00000 259 4XZ -0.01075 0.00000 0.00000 0.00000 -0.26887 260 4YZ 0.15485 0.00000 0.00000 0.00000 -0.01353 261 27 C 1S 0.00000 -0.01488 0.00478 -0.01023 0.00000 262 2S 0.00000 -0.33929 0.20661 -0.44168 0.00000 263 2PX 0.00000 -0.08246 0.02819 -0.10237 0.00000 264 2PY 0.00000 -0.14283 0.08615 -0.15985 0.00000 265 2PZ 0.00198 0.00000 0.00000 0.00000 0.05640 266 3S 0.00000 0.73923 -0.09407 0.20107 0.00000 267 3PX 0.00000 0.95552 -0.52884 0.33466 0.00000 268 3PY 0.00000 1.65500 -0.21057 0.90962 0.00000 269 3PZ 0.05614 0.00000 0.00000 0.00000 -0.04695 270 4XX 0.00000 -0.04851 0.02066 -0.04295 0.00000 271 4YY 0.00000 -0.01650 0.00237 -0.00627 0.00000 272 4ZZ 0.00000 0.05326 -0.01195 0.02556 0.00000 273 4XY 0.00000 0.03201 -0.01705 0.03726 0.00000 274 4XZ 0.08463 0.00000 0.00000 0.00000 -0.13566 275 4YZ -0.09275 0.00000 0.00000 0.00000 -0.23497 276 28 C 1S 0.00000 0.00124 -0.00006 0.01357 0.00000 277 2S 0.00000 0.00656 -0.10007 0.19296 0.00000 278 2PX 0.00000 0.06965 0.05528 0.01933 0.00000 279 2PY 0.00000 0.07174 -0.05818 -0.04259 0.00000 280 2PZ 0.00682 0.00000 0.00000 0.00000 0.04913 281 3S 0.00000 -0.22861 -0.24017 -2.93565 0.00000 282 3PX 0.00000 0.15505 -0.66535 -1.58883 0.00000 283 3PY 0.00000 -0.44994 0.04794 -0.60940 0.00000 284 3PZ -0.06917 0.00000 0.00000 0.00000 0.03260 285 4XX 0.00000 -0.05152 0.01620 -0.01151 0.00000 286 4YY 0.00000 0.01397 -0.01821 0.01322 0.00000 287 4ZZ 0.00000 0.03976 -0.00430 0.01584 0.00000 288 4XY 0.00000 0.04056 -0.03632 -0.06661 0.00000 289 4XZ -0.06057 0.00000 0.00000 0.00000 0.12272 290 4YZ -0.05599 0.00000 0.00000 0.00000 -0.23962 291 29 C 1S 0.00000 0.01227 0.00162 -0.00238 0.00000 292 2S 0.00000 0.36401 -0.14726 0.40996 0.00000 293 2PX 0.00000 -0.12184 0.10232 0.00188 0.00000 294 2PY 0.00000 -0.12738 0.04948 0.42373 0.00000 295 2PZ -0.00971 0.00000 0.00000 0.00000 0.02067 296 3S 0.00000 -1.64858 -0.17014 -0.38618 0.00000 297 3PX 0.00000 1.31027 -0.49629 1.03203 0.00000 298 3PY 0.00000 -0.33831 -1.05369 -4.43966 0.00000 299 3PZ 0.10425 0.00000 0.00000 0.00000 -0.03685 300 4XX 0.00000 -0.04200 0.03226 -0.01030 0.00000 301 4YY 0.00000 0.00794 -0.01635 0.01149 0.00000 302 4ZZ 0.00000 0.04627 -0.01561 0.02206 0.00000 303 4XY 0.00000 0.05313 -0.02339 -0.01856 0.00000 304 4XZ 0.09848 0.00000 0.00000 0.00000 0.15431 305 4YZ 0.03833 0.00000 0.00000 0.00000 0.06012 306 30 H 1S 0.00000 -0.10852 0.08486 -0.00631 0.00000 307 2S 0.00000 -0.34617 0.00635 -2.06127 0.00000 308 31 H 1S 0.00000 -0.10106 0.09237 0.23432 0.00000 309 2S 0.00000 -0.14005 0.15565 0.37670 0.00000 310 32 H 1S 0.00000 0.42447 -0.07367 0.15748 0.00000 311 2S 0.00000 0.67593 -0.12599 0.26933 0.00000 312 33 H 1S 0.00000 -0.10106 -0.23907 0.07929 0.00000 313 2S 0.00000 -0.14005 -0.38890 0.12197 0.00000 314 34 H 1S 0.00000 -0.10852 -0.04954 -0.06918 0.00000 315 2S 0.00000 -0.34615 1.57814 -1.32602 0.00000 196 197 198 199 200 (E")--V (E")--V (A')--V (E')--V (E')--V Eigenvalues -- 1.28556 1.28556 1.28837 1.31949 1.31949 1 1 C 1S 0.00000 0.00000 -0.11499 -0.00000 -0.00000 2 2S 0.00000 0.00000 -1.37831 -0.00000 -0.00000 3 2PX 0.00000 0.00000 -0.00000 0.00847 0.59444 4 2PY 0.00000 0.00000 0.00000 0.59444 -0.00847 5 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 10.29497 0.00000 0.00000 7 3PX 0.00000 0.00000 -0.00000 -0.04154 -2.91738 8 3PY 0.00000 0.00000 -0.00000 -2.91738 0.04154 9 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00000 0.00000 -0.11057 -0.00028 -0.01997 11 4YY 0.00000 0.00000 -0.11057 0.00028 0.01997 12 4ZZ 0.00000 0.00000 0.21655 0.00000 0.00000 13 4XY 0.00000 0.00000 -0.00000 0.02306 -0.00033 14 4XZ -0.13042 -0.00078 0.00000 0.00000 0.00000 15 4YZ -0.00078 0.13042 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 0.00000 0.02831 -0.00051 -0.03586 17 2S 0.00000 0.00000 0.78753 -0.00223 -0.15643 18 2PX 0.00000 0.00000 -0.29626 -0.00728 -0.51092 19 2PY 0.00000 0.00000 -0.00000 -0.39010 0.00555 20 2PZ -0.03157 -0.00019 0.00000 0.00000 0.00000 21 3S 0.00000 0.00000 -3.18354 0.04773 3.34967 22 3PX 0.00000 0.00000 3.48886 0.02407 1.68904 23 3PY 0.00000 0.00000 0.00000 3.32533 -0.04735 24 3PZ 0.03977 0.00024 0.00000 0.00000 0.00000 25 4XX 0.00000 0.00000 -0.01294 -0.00039 -0.02752 26 4YY 0.00000 0.00000 -0.02509 -0.00009 -0.00627 27 4ZZ 0.00000 0.00000 0.05165 0.00080 0.05629 28 4XY 0.00000 0.00000 -0.00000 -0.06164 0.00088 29 4XZ 0.06447 0.00039 0.00000 0.00000 0.00000 30 4YZ -0.00024 0.04097 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 0.00000 0.00623 0.00271 0.00551 32 2S 0.00000 0.00000 0.11642 -0.17797 0.04458 33 2PX 0.00000 0.00000 0.03324 0.06902 0.18230 34 2PY 0.00000 0.00000 0.16181 0.07569 -0.03292 35 2PZ 0.00697 -0.01652 0.00000 0.00000 0.00000 36 3S 0.00000 0.00000 -1.76869 -0.96971 -0.57499 37 3PX 0.00000 0.00000 -1.50576 1.34552 -0.21667 38 3PY 0.00000 0.00000 0.27044 -0.26276 1.04574 39 3PZ 0.02366 0.00792 0.00000 0.00000 0.00000 40 4XX 0.00000 0.00000 0.01958 -0.01405 0.01216 41 4YY 0.00000 0.00000 -0.03287 0.00152 -0.08285 42 4ZZ 0.00000 0.00000 0.02489 -0.00050 0.04748 43 4XY 0.00000 0.00000 -0.00622 -0.06164 0.00836 44 4XZ -0.20345 -0.00165 0.00000 0.00000 0.00000 45 4YZ 0.11575 -0.01406 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 -0.01029 0.00595 0.00764 47 2S 0.00000 0.00000 -0.18038 0.13305 0.23026 48 2PX 0.00000 0.00000 -0.02901 -0.00648 -0.14896 49 2PY 0.00000 0.00000 -0.03724 -0.04746 -0.00132 50 2PZ 0.07833 0.00825 0.00000 0.00000 0.00000 51 3S 0.00000 0.00000 2.20934 -0.78773 -1.15532 52 3PX 0.00000 0.00000 -0.78106 0.61213 0.50136 53 3PY 0.00000 0.00000 -0.23159 0.65998 0.66228 54 3PZ 0.01448 0.00054 0.00000 0.00000 0.00000 55 4XX 0.00000 0.00000 0.01519 0.01074 0.02978 56 4YY 0.00000 0.00000 -0.00865 0.01014 -0.05528 57 4ZZ 0.00000 0.00000 -0.00630 -0.01075 0.03214 58 4XY 0.00000 0.00000 -0.02323 -0.00289 0.00813 59 4XZ 0.21984 -0.01562 0.00000 0.00000 0.00000 60 4YZ 0.30716 0.02304 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.01035 -0.00030 -0.02096 62 2S 0.00000 0.00000 0.21966 -0.00618 -0.43361 63 2PX 0.00000 0.00000 -0.05597 0.00185 0.12972 64 2PY 0.00000 0.00000 0.00000 0.09220 -0.00131 65 2PZ 0.07032 0.00042 0.00000 0.00000 0.00000 66 3S 0.00000 0.00000 -0.94671 0.02259 1.58587 67 3PX 0.00000 0.00000 0.87074 -0.02992 -2.09986 68 3PY 0.00000 0.00000 0.00000 -0.21114 0.00300 69 3PZ -0.04877 -0.00029 0.00000 0.00000 0.00000 70 4XX 0.00000 0.00000 -0.02069 -0.00018 -0.01265 71 4YY 0.00000 0.00000 0.02565 -0.00074 -0.05206 72 4ZZ 0.00000 0.00000 -0.00750 0.00084 0.05890 73 4XY 0.00000 0.00000 -0.00000 -0.01566 0.00022 74 4XZ 0.36759 0.00220 0.00000 0.00000 0.00000 75 4YZ 0.00023 -0.03913 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 -0.01029 -0.00573 0.00781 77 2S 0.00000 0.00000 -0.18038 -0.12644 0.23395 78 2PX 0.00000 0.00000 -0.02901 0.00224 -0.14909 79 2PY 0.00000 0.00000 0.03724 -0.04740 0.00267 80 2PZ 0.07842 -0.00731 0.00000 0.00000 0.00000 81 3S 0.00000 0.00000 2.20934 0.75448 -1.17728 82 3PX 0.00000 0.00000 -0.78106 -0.59760 0.51859 83 3PY 0.00000 0.00000 0.23160 0.64086 -0.68082 84 3PZ 0.01449 -0.00037 0.00000 0.00000 0.00000 85 4XX 0.00000 0.00000 0.01519 -0.00989 0.03008 86 4YY 0.00000 0.00000 -0.00865 -0.01171 -0.05497 87 4ZZ 0.00000 0.00000 -0.00630 0.01166 0.03182 88 4XY 0.00000 0.00000 0.02323 -0.00312 -0.00804 89 4XZ 0.21964 0.01825 0.00000 0.00000 0.00000 90 4YZ -0.30741 0.01937 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00623 -0.00255 0.00559 92 2S 0.00000 0.00000 0.11642 0.17917 0.03949 93 2PX 0.00000 0.00000 0.03324 -0.06381 0.18420 94 2PY 0.00000 0.00000 -0.16181 0.07660 0.03075 95 2PZ 0.00677 0.01660 0.00000 0.00000 0.00000 96 3S 0.00000 0.00000 -1.76869 0.95293 -0.60237 97 3PX 0.00000 0.00000 -1.50576 -1.35113 -0.17829 98 3PY 0.00000 0.00000 -0.27045 -0.29246 -1.03781 99 3PZ 0.02375 -0.00763 0.00000 0.00000 0.00000 100 4XX 0.00000 0.00000 0.01957 0.01439 0.01176 101 4YY 0.00000 0.00000 -0.03287 -0.00388 -0.08278 102 4ZZ 0.00000 0.00000 0.02489 0.00186 0.04744 103 4XY 0.00000 0.00000 0.00622 -0.06185 -0.00660 104 4XZ -0.20346 -0.00078 0.00000 0.00000 0.00000 105 4YZ -0.11557 -0.01544 0.00000 0.00000 0.00000 106 8 H 1S 0.00000 0.00000 -0.27326 -0.33058 0.00780 107 2S 0.00000 0.00000 0.04480 -0.27051 -0.49120 108 9 H 1S 0.00000 0.00000 -0.02534 0.17031 -0.07882 109 2S 0.00000 0.00000 -0.01232 0.26871 -0.18779 110 10 H 1S 0.00000 0.00000 -0.08050 0.00523 0.36697 111 2S 0.00000 0.00000 -0.19112 0.00922 0.64703 112 11 H 1S 0.00000 0.00000 -0.02534 -0.17249 -0.07394 113 2S 0.00000 0.00000 -0.01232 -0.27395 -0.18006 114 12 H 1S 0.00000 0.00000 -0.27325 0.33067 -0.00162 115 2S 0.00000 0.00000 0.04480 0.25639 -0.49872 116 13 C 1S 0.00000 0.00000 0.02831 -0.03080 0.01837 117 2S 0.00000 0.00000 0.78753 -0.13435 0.08015 118 2PX 0.00000 0.00000 0.14813 0.04633 -0.42105 119 2PY 0.00000 0.00000 -0.25657 -0.47997 0.05916 120 2PZ 0.01562 0.02744 0.00000 0.00000 0.00000 121 3S 0.00000 0.00000 -3.18354 2.87703 -1.71617 122 3PX 0.00000 0.00000 -1.74443 0.75006 2.90618 123 3PY 0.00000 0.00000 3.02144 2.10819 0.67864 124 3PZ -0.01968 -0.03456 0.00000 0.00000 0.00000 125 4XX 0.00000 0.00000 -0.02205 0.01373 0.04564 126 4YY 0.00000 0.00000 -0.01597 -0.04276 -0.02833 127 4ZZ 0.00000 0.00000 0.05165 0.04835 -0.02884 128 4XY 0.00000 0.00000 -0.00608 -0.00667 -0.03191 129 4XZ -0.01488 0.04557 0.00000 0.00000 0.00000 130 4YZ -0.04543 -0.03838 0.00000 0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00623 0.00611 -0.00059 132 2S 0.00000 0.00000 0.11642 -0.05539 -0.17491 133 2PX 0.00000 0.00000 0.12351 -0.08561 0.08918 134 2PY 0.00000 0.00000 0.10969 0.17161 0.00895 135 2PZ 0.01099 -0.01416 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 -1.76869 -0.99813 -0.52408 137 3PX 0.00000 0.00000 0.98709 0.39114 -1.29836 138 3PY 0.00000 0.00000 -1.16880 0.82761 0.70445 139 3PZ -0.01849 -0.01675 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 -0.01510 -0.03266 0.07163 141 4YY 0.00000 0.00000 0.00180 -0.03410 -0.04522 142 4ZZ 0.00000 0.00000 0.02489 0.04016 -0.02533 143 4XY 0.00000 0.00000 -0.02933 -0.04897 0.00311 144 4XZ -0.08899 -0.18166 0.00000 0.00000 0.00000 145 4YZ 0.06531 0.09903 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 -0.01029 0.00962 0.00106 147 2S 0.00000 0.00000 -0.18038 0.26583 -0.00748 148 2PX 0.00000 0.00000 -0.01774 0.04259 -0.07070 149 2PY 0.00000 0.00000 -0.04374 -0.12579 0.04302 150 2PZ -0.04554 -0.06426 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 2.20934 -1.39679 -0.06476 152 3PX 0.00000 0.00000 0.18996 0.41416 0.05672 153 3PY 0.00000 0.00000 -0.79222 1.10272 0.33094 154 3PZ -0.00757 -0.01236 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.01474 -0.02762 0.03164 156 4YY 0.00000 0.00000 -0.00820 0.01686 -0.00049 157 4ZZ 0.00000 0.00000 -0.00630 0.02173 -0.02601 158 4XY 0.00000 0.00000 -0.02353 -0.03367 0.01869 159 4XZ -0.10063 -0.12250 0.00000 0.00000 0.00000 160 4YZ -0.16666 -0.30090 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.01035 -0.01800 0.01074 162 2S 0.00000 0.00000 0.21966 -0.37243 0.22216 163 2PX 0.00000 0.00000 0.02798 -0.01480 0.10181 164 2PY 0.00000 0.00000 -0.04847 0.12010 -0.01796 165 2PZ -0.03480 -0.06111 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 -0.94671 1.36210 -0.81250 167 3PX 0.00000 0.00000 -0.43537 0.80810 -0.69497 168 3PY 0.00000 0.00000 0.75409 -1.61603 0.84103 169 3PZ 0.02413 0.04238 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.01406 -0.03023 0.03171 171 4YY 0.00000 0.00000 -0.00911 -0.02535 0.00144 172 4ZZ 0.00000 0.00000 -0.00750 0.05059 -0.03018 173 4XY 0.00000 0.00000 0.02317 -0.02093 0.00337 174 4XZ 0.12039 0.14295 0.00000 0.00000 0.00000 175 4YZ -0.14052 -0.28633 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 -0.01029 0.00364 -0.00897 177 2S 0.00000 0.00000 -0.18038 0.13288 -0.23036 178 2PX 0.00000 0.00000 0.04676 0.04332 -0.07621 179 2PY 0.00000 0.00000 -0.00650 -0.12021 0.04849 180 2PZ -0.03202 -0.07196 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 2.20934 -0.60668 1.25985 182 3PX 0.00000 0.00000 0.59109 -0.27500 1.17217 183 3PY 0.00000 0.00000 -0.56063 -0.01082 -0.22485 184 3PZ -0.00677 -0.01281 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 -0.02011 -0.02824 0.00693 186 4YY 0.00000 0.00000 0.02665 -0.00428 -0.01226 187 4ZZ 0.00000 0.00000 -0.00630 0.03321 -0.00676 188 4XY 0.00000 0.00000 -0.00030 -0.04092 0.02231 189 4XZ 0.17745 0.33163 0.00000 0.00000 0.00000 190 4YZ -0.04010 -0.01936 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00623 0.00342 -0.00510 192 2S 0.00000 0.00000 0.11642 0.12759 0.13184 193 2PX 0.00000 0.00000 -0.15675 -0.00422 0.11797 194 2PY 0.00000 0.00000 -0.05212 0.14002 -0.10617 195 2PZ -0.01779 0.00222 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 -1.76869 -0.01311 1.12729 197 3PX 0.00000 0.00000 0.51867 -0.46788 0.78421 198 3PY 0.00000 0.00000 -1.43925 -1.26364 -0.76766 199 3PZ -0.00497 -0.02445 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 -0.02443 -0.02145 0.06850 201 4YY 0.00000 0.00000 0.01113 -0.03351 -0.02231 202 4ZZ 0.00000 0.00000 0.02489 0.04137 -0.02330 203 4XY 0.00000 0.00000 -0.02311 -0.06407 -0.00759 204 4XZ 0.01051 -0.00778 0.00000 0.00000 0.00000 205 4YZ 0.12188 0.19991 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.00000 -0.27325 -0.16674 -0.28556 207 2S 0.00000 0.00000 0.04480 -0.56010 0.02732 208 20 H 1S 0.00000 0.00000 -0.02534 0.02221 0.18635 209 2S 0.00000 0.00000 -0.01232 -0.01897 0.32728 210 21 H 1S 0.00000 0.00000 -0.08050 0.31519 -0.18801 211 2S 0.00000 0.00000 -0.19112 0.55573 -0.33150 212 22 H 1S 0.00000 0.00000 -0.02534 -0.15342 -0.10808 213 2S 0.00000 0.00000 -0.01232 -0.29699 -0.13881 214 23 H 1S 0.00000 0.00000 -0.27326 0.17205 0.28239 215 2S 0.00000 0.00000 0.04480 -0.29014 0.47987 216 24 C 1S 0.00000 0.00000 0.02831 0.03131 0.01749 217 2S 0.00000 0.00000 0.78753 0.13659 0.07628 218 2PX 0.00000 0.00000 0.14813 -0.05830 -0.41956 219 2PY 0.00000 0.00000 0.25657 -0.48146 -0.04547 220 2PZ 0.01595 -0.02725 0.00000 0.00000 0.00000 221 3S 0.00000 0.00000 -3.18354 -2.92476 -1.63349 222 3PX 0.00000 0.00000 -1.74443 -0.66701 2.92634 223 3PY 0.00000 0.00000 -3.02144 2.08804 -0.73842 224 3PZ -0.02009 0.03432 0.00000 0.00000 0.00000 225 4XX 0.00000 0.00000 -0.02205 -0.01243 0.04601 226 4YY 0.00000 0.00000 -0.01598 0.04193 -0.02954 227 4ZZ 0.00000 0.00000 0.05165 -0.04915 -0.02745 228 4XY 0.00000 0.00000 0.00608 -0.00576 0.03209 229 4XZ -0.01434 -0.04574 0.00000 0.00000 0.00000 230 4YZ 0.04589 -0.03784 0.00000 0.00000 0.00000 231 25 C 1S 0.00000 0.00000 0.00623 -0.00357 -0.00500 232 2S 0.00000 0.00000 0.11642 -0.12378 0.13542 233 2PX 0.00000 0.00000 -0.15675 0.00758 0.11781 234 2PY 0.00000 0.00000 0.05212 0.14298 0.10214 235 2PZ -0.01776 -0.00243 0.00000 0.00000 0.00000 236 3S 0.00000 0.00000 -1.76869 0.04520 1.12645 237 3PX 0.00000 0.00000 0.51867 0.49002 0.77052 238 3PY 0.00000 0.00000 1.43925 -1.24127 0.80333 239 3PZ -0.00527 0.02439 0.00000 0.00000 0.00000 240 4XX 0.00000 0.00000 -0.02443 0.02339 0.06787 241 4YY 0.00000 0.00000 0.01113 0.03286 -0.02326 242 4ZZ 0.00000 0.00000 0.02489 -0.04201 -0.02211 243 4XY 0.00000 0.00000 0.02312 -0.06382 0.00941 244 4XZ 0.01042 0.00791 0.00000 0.00000 0.00000 245 4YZ -0.12426 0.19844 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 -0.01029 -0.00390 -0.00886 247 2S 0.00000 0.00000 -0.18038 -0.13939 -0.22648 248 2PX 0.00000 0.00000 0.04676 -0.04548 -0.07495 249 2PY 0.00000 0.00000 0.00650 -0.12154 -0.04504 250 2PZ -0.03288 0.07157 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 2.20934 0.64231 1.24204 252 3PX 0.00000 0.00000 0.59110 0.30827 1.16386 253 3PY 0.00000 0.00000 0.56062 -0.00442 0.22505 254 3PZ -0.00692 0.01273 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 -0.02011 0.02843 0.00612 256 4YY 0.00000 0.00000 0.02665 0.00393 -0.01238 257 4ZZ 0.00000 0.00000 -0.00630 -0.03339 -0.00581 258 4XY 0.00000 0.00000 0.00030 -0.04154 -0.02113 259 4XZ 0.18140 -0.32949 0.00000 0.00000 0.00000 260 4YZ 0.04033 -0.01888 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.01035 0.01830 0.01022 262 2S 0.00000 0.00000 0.21966 0.37861 0.21146 263 2PX 0.00000 0.00000 0.02798 0.01769 0.10135 264 2PY 0.00000 0.00000 0.04847 0.12057 0.01453 265 2PZ -0.03552 0.06069 0.00000 0.00000 0.00000 266 3S 0.00000 0.00000 -0.94671 -1.38470 -0.77337 267 3PX 0.00000 0.00000 -0.43537 -0.82757 -0.67167 268 3PY 0.00000 0.00000 -0.75409 -1.63933 -0.79465 269 3PZ 0.02464 -0.04209 0.00000 0.00000 0.00000 270 4XX 0.00000 0.00000 0.01406 0.03112 0.03084 271 4YY 0.00000 0.00000 -0.00911 0.02538 0.00072 272 4ZZ 0.00000 0.00000 -0.00750 -0.05143 -0.02872 273 4XY 0.00000 0.00000 -0.02317 -0.02102 -0.00277 274 4XZ 0.12209 -0.14151 0.00000 0.00000 0.00000 275 4YZ 0.14394 -0.28463 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 -0.01029 -0.00959 0.00133 277 2S 0.00000 0.00000 -0.18038 -0.26594 0.00010 278 2PX 0.00000 0.00000 -0.01775 -0.04458 -0.06946 279 2PY 0.00000 0.00000 0.04374 -0.12697 -0.03942 280 2PZ -0.04631 0.06371 0.00000 0.00000 0.00000 281 3S 0.00000 0.00000 2.20934 1.39440 -0.10453 282 3PX 0.00000 0.00000 0.18997 -0.41236 0.06849 283 3PY 0.00000 0.00000 0.79221 1.09286 -0.36221 284 3PZ -0.00771 0.01227 0.00000 0.00000 0.00000 285 4XX 0.00000 0.00000 0.01474 0.02851 0.03084 286 4YY 0.00000 0.00000 -0.00820 -0.01687 -0.00001 287 4ZZ 0.00000 0.00000 -0.00630 -0.02246 -0.02538 288 4XY 0.00000 0.00000 0.02353 -0.03419 -0.01772 289 4XZ -0.10209 0.12129 0.00000 0.00000 0.00000 290 4YZ 0.17025 -0.29889 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00623 -0.00613 -0.00041 292 2S 0.00000 0.00000 0.11642 0.05038 -0.17641 293 2PX 0.00000 0.00000 0.12351 0.08811 0.08671 294 2PY 0.00000 0.00000 -0.10969 0.17128 -0.01383 295 2PZ 0.01082 0.01429 0.00000 0.00000 0.00000 296 3S 0.00000 0.00000 -1.76869 0.98281 -0.55229 297 3PX 0.00000 0.00000 0.98709 -0.42797 -1.28669 298 3PY 0.00000 0.00000 1.16881 0.80725 -0.72775 299 3PZ -0.01869 0.01653 0.00000 0.00000 0.00000 300 4XX 0.00000 0.00000 -0.01510 0.03468 0.07067 301 4YY 0.00000 0.00000 0.00180 0.03280 -0.04617 302 4ZZ 0.00000 0.00000 0.02489 -0.04086 -0.02417 303 4XY 0.00000 0.00000 0.02933 -0.04904 -0.00171 304 4XZ -0.09116 0.18058 0.00000 0.00000 0.00000 305 4YZ -0.06648 0.09824 0.00000 0.00000 0.00000 306 30 H 1S 0.00000 0.00000 -0.27325 -0.16393 0.28718 307 2S 0.00000 0.00000 0.04480 0.30371 0.47140 308 31 H 1S 0.00000 0.00000 -0.02534 0.15028 -0.11241 309 2S 0.00000 0.00000 -0.01232 0.29291 -0.14721 310 32 H 1S 0.00000 0.00000 -0.08050 -0.32042 -0.17896 311 2S 0.00000 0.00000 -0.19112 -0.56495 -0.31553 312 33 H 1S 0.00000 0.00000 -0.02534 -0.01689 0.18691 313 2S 0.00000 0.00000 -0.01232 0.02828 0.32661 314 34 H 1S 0.00000 0.00000 -0.27326 0.15854 -0.29019 315 2S 0.00000 0.00000 0.04480 0.56065 0.01133 201 202 203 204 205 (A")--V (E")--V (E")--V (A")--V (E")--V Eigenvalues -- 1.34708 1.35157 1.35157 1.35528 1.35644 1 1 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 3 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 4 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 5 2PZ 0.01889 0.00000 0.00000 -0.00000 0.00000 6 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 8 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 9 3PZ -0.20137 -0.00000 -0.00000 0.00000 -0.00000 10 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 11 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 12 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 14 4XZ 0.00000 -0.04688 -0.00001 0.00000 -0.05365 15 4YZ 0.00000 -0.00001 0.04688 -0.00000 0.00060 16 2 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 17 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 19 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 20 2PZ -0.00853 -0.00164 -0.00000 0.00000 -0.02029 21 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 23 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 24 3PZ 0.17456 0.08138 0.00001 -0.00000 0.15930 25 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 26 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 27 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 29 4XZ -0.01090 0.11630 0.00001 -0.00000 0.02606 30 4YZ -0.00000 0.00002 -0.22792 -0.24536 0.00316 31 3 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 32 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 33 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 34 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 35 2PZ -0.04589 -0.04927 0.03349 0.01522 -0.02030 36 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 38 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 39 3PZ -0.04240 -0.02851 0.04437 0.08569 -0.09243 40 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 44 4XZ 0.21776 0.20879 0.07672 0.09100 0.20132 45 4YZ -0.03521 -0.10001 0.10505 0.10448 -0.06694 46 4 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 49 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 50 2PZ -0.00559 0.00106 -0.05677 -0.06333 -0.01637 51 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 53 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 54 3PZ -0.02450 -0.01618 -0.03861 -0.05661 0.01902 55 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 59 4XZ -0.19731 -0.17870 0.03197 0.02564 -0.18094 60 4YZ 0.11013 0.14528 -0.18290 -0.22107 0.08812 61 5 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 65 2PZ 0.09087 0.10702 0.00001 -0.00000 0.08181 66 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 68 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 69 3PZ 0.02449 0.00455 0.00000 0.00000 -0.00668 70 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 74 4XZ 0.26535 0.32703 0.00004 -0.00000 0.22116 75 4YZ 0.00000 -0.00002 0.24534 0.27896 -0.00333 76 6 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 80 2PZ -0.00559 0.00105 0.05677 0.06333 -0.01777 81 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 83 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 84 3PZ -0.02450 -0.01619 0.03860 0.05661 0.01760 85 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 89 4XZ -0.19731 -0.17870 -0.03201 -0.02564 -0.18007 90 4YZ -0.11013 -0.14524 -0.18294 -0.22107 -0.08316 91 7 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 95 2PZ -0.04589 -0.04927 -0.03350 -0.01522 -0.01976 96 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 97 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 98 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 99 3PZ -0.04240 -0.02850 -0.04438 -0.08569 -0.09052 100 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 104 4XZ 0.21775 0.20880 -0.07667 -0.09100 0.20326 105 4YZ 0.03521 0.09998 0.10508 0.10448 0.06377 106 8 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 107 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 108 9 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 109 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 110 10 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 112 11 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 113 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 114 12 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 116 13 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 118 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 119 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 120 2PZ -0.00853 0.00082 0.00142 0.00000 0.01034 121 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 122 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 123 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 124 3PZ 0.17456 -0.04068 -0.07048 -0.00000 -0.08119 125 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 126 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 127 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 128 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 129 4XZ 0.00545 0.20002 -0.04832 0.21248 -0.20443 130 4YZ -0.00944 0.04835 -0.14420 0.12268 -0.13336 131 14 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 135 2PZ -0.04589 -0.00438 0.05941 -0.01522 0.03108 136 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 138 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 139 3PZ -0.04240 -0.02418 0.04687 -0.08569 0.12051 140 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 144 4XZ -0.13937 0.04989 0.19173 -0.04498 0.14896 145 4YZ 0.17097 -0.16842 -0.05384 -0.13105 0.05351 146 15 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 150 2PZ -0.00559 0.04864 -0.02929 0.06333 -0.04539 151 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 154 3PZ -0.02450 0.04153 -0.00528 0.05661 -0.06440 155 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 159 4XZ 0.19403 0.04350 -0.27352 0.20427 -0.26641 160 4YZ -0.11581 0.09627 0.03926 0.08833 -0.00869 161 16 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 165 2PZ 0.09087 -0.05350 -0.09269 -0.00000 -0.04169 166 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 169 3PZ 0.02449 -0.00227 -0.00394 0.00000 0.00340 170 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 174 4XZ -0.13268 -0.10227 0.24783 -0.24158 0.27911 175 4YZ 0.22980 -0.24782 -0.18397 -0.13948 0.03099 176 17 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 180 2PZ -0.00559 -0.04969 0.02746 -0.06333 0.06279 181 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 184 3PZ -0.02450 -0.02534 0.03332 -0.05661 0.04574 185 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 189 4XZ 0.00328 0.14157 -0.03963 0.17863 -0.15713 190 4YZ -0.22594 0.21688 0.13736 0.13274 -0.02339 191 18 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 195 2PZ -0.04589 0.05364 0.02593 0.01522 -0.01066 196 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 199 3PZ -0.04240 0.05268 0.00251 0.08569 -0.02727 200 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 204 4XZ -0.07838 -0.10312 0.08007 -0.13599 0.16622 205 4YZ 0.20619 -0.10336 -0.20685 0.02657 -0.10962 206 19 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 208 20 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 209 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 210 21 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 211 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 216 24 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 217 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 218 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 219 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 220 2PZ -0.00853 0.00082 -0.00142 0.00000 0.00995 221 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 222 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 223 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 224 3PZ 0.17456 -0.04070 0.07047 -0.00000 -0.07811 225 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 226 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 227 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 228 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 229 4XZ 0.00545 0.20001 0.04836 -0.21248 -0.20741 230 4YZ 0.00944 -0.04832 -0.14421 0.12268 0.13451 231 25 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 233 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 234 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 235 2PZ -0.04589 0.05364 -0.02592 -0.01522 -0.01132 236 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 237 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 238 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 239 3PZ -0.04240 0.05268 -0.00250 -0.08569 -0.02999 240 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 241 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 242 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 243 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 244 4XZ -0.07838 -0.10310 -0.08009 0.13599 0.16722 245 4YZ -0.20619 0.10340 -0.20683 0.02657 0.10566 246 26 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 250 2PZ -0.00559 -0.04968 -0.02747 0.06333 0.06316 251 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 254 3PZ -0.02450 -0.02534 -0.03332 0.05661 0.04680 255 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 259 4XZ 0.00328 0.14156 0.03966 -0.17863 -0.15875 260 4YZ 0.22594 -0.21691 0.13732 0.13274 0.02885 261 27 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 265 2PZ 0.09087 -0.05352 0.09267 -0.00000 -0.04012 266 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 267 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 268 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 269 3PZ 0.02449 -0.00227 0.00394 0.00000 0.00327 270 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 274 4XZ -0.13268 -0.10222 -0.24785 0.24158 0.27986 275 4YZ -0.22980 0.24786 -0.18391 -0.13948 -0.03635 276 28 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 280 2PZ -0.00559 0.04863 0.02930 -0.06333 -0.04642 281 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 282 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 283 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 284 3PZ -0.02450 0.04152 0.00529 -0.05661 -0.06476 285 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 289 4XZ 0.19403 0.04344 0.27353 -0.20427 -0.26561 290 4YZ 0.11581 -0.09628 0.03924 0.08833 0.01174 291 29 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 292 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 293 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 294 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 295 2PZ -0.04589 -0.00436 -0.05941 0.01522 0.03097 296 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 297 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 298 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 299 3PZ -0.04240 -0.02417 -0.04688 0.08569 0.11970 300 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 301 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 303 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 304 4XZ -0.13937 0.04993 -0.19172 0.04498 0.14681 305 4YZ -0.17098 0.16844 -0.05380 -0.13105 -0.05789 306 30 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 307 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 308 31 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 309 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 310 32 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 311 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 312 33 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 313 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 314 34 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 315 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 206 207 208 209 210 (E")--V (E')--V (E')--V (A")--V (E")--V Eigenvalues -- 1.35644 1.36884 1.36884 1.38838 1.38977 1 1 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 2 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 3 2PX 0.00000 0.08549 0.00234 0.00000 0.00000 4 2PY 0.00000 -0.00234 0.08549 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 6 3S 0.00000 0.00000 0.00000 0.00000 0.00000 7 3PX 0.00000 0.88151 0.02412 0.00000 0.00000 8 3PY 0.00000 -0.02412 0.88151 0.00000 0.00000 9 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00000 -0.02503 -0.00068 0.00000 0.00000 11 4YY 0.00000 0.02503 0.00068 0.00000 0.00000 12 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 13 4XY 0.00000 -0.00079 0.02890 0.00000 0.00000 14 4XZ -0.00060 0.00000 0.00000 0.00000 0.00000 15 4YZ -0.05365 0.00000 0.00000 -0.00000 -0.00737 16 2 C 1S 0.00000 -0.02308 -0.00063 0.00000 0.00000 17 2S 0.00000 -0.18591 -0.00509 0.00000 0.00000 18 2PX 0.00000 -0.41518 -0.01136 0.00000 0.00000 19 2PY 0.00000 -0.00140 0.05124 0.00000 0.00000 20 2PZ -0.00023 0.00000 0.00000 0.00000 0.00000 21 3S 0.00000 2.59681 0.07105 0.00000 0.00000 22 3PX 0.00000 3.43843 0.09408 0.00000 0.00000 23 3PY 0.00000 -0.04012 1.46646 0.00000 0.00000 24 3PZ 0.00177 0.00000 0.00000 -0.00000 -0.00001 25 4XX 0.00000 -0.01561 -0.00043 0.00000 0.00000 26 4YY 0.00000 -0.00666 -0.00018 0.00000 0.00000 27 4ZZ 0.00000 0.02636 0.00072 0.00000 0.00000 28 4XY 0.00000 -0.00004 0.00130 0.00000 0.00000 29 4XZ 0.00029 0.00000 0.00000 0.00000 0.00001 30 4YZ -0.28325 0.00000 0.00000 0.13379 -0.16170 31 3 C 1S 0.00000 0.00365 0.02741 0.00000 0.00000 32 2S 0.00000 0.09205 0.53632 0.00000 0.00000 33 2PX 0.00000 0.00052 -0.06889 0.00000 0.00000 34 2PY 0.00000 -0.04458 -0.24537 0.00000 0.00000 35 2PZ 0.02403 0.00000 0.00000 -0.06447 0.10307 36 3S 0.00000 -0.62019 -2.42683 0.00000 0.00000 37 3PX 0.00000 0.48504 0.08842 0.00000 0.00000 38 3PY 0.00000 1.78964 2.81139 0.00000 0.00000 39 3PZ 0.08485 0.00000 0.00000 0.00285 -0.03654 40 4XX 0.00000 0.01297 0.05305 0.00000 0.00000 41 4YY 0.00000 -0.01307 0.00815 0.00000 0.00000 42 4ZZ 0.00000 -0.00448 -0.02681 0.00000 0.00000 43 4XY 0.00000 -0.00180 -0.01095 0.00000 0.00000 44 4XZ 0.08936 0.00000 0.00000 0.12951 -0.19159 45 4YZ 0.14158 0.00000 0.00000 -0.26257 0.35015 46 4 C 1S 0.00000 0.00971 -0.01710 0.00000 0.00000 47 2S 0.00000 0.25700 -0.44447 0.00000 0.00000 48 2PX 0.00000 -0.11816 0.03009 0.00000 0.00000 49 2PY 0.00000 -0.02846 0.17655 0.00000 0.00000 50 2PZ -0.06305 0.00000 0.00000 -0.05571 0.08222 51 3S 0.00000 -1.44237 1.34073 0.00000 0.00000 52 3PX 0.00000 0.66372 -0.52444 0.00000 0.00000 53 3PY 0.00000 0.32016 -2.44983 0.00000 0.00000 54 3PZ -0.06380 0.00000 0.00000 0.05541 -0.06004 55 4XX 0.00000 0.01378 0.00955 0.00000 0.00000 56 4YY 0.00000 -0.00352 -0.01935 0.00000 0.00000 57 4ZZ 0.00000 -0.00457 0.00391 0.00000 0.00000 58 4XY 0.00000 0.00190 0.06730 0.00000 0.00000 59 4XZ 0.03714 0.00000 0.00000 -0.15542 0.22049 60 4YZ -0.22151 0.00000 0.00000 -0.16339 0.26061 61 5 C 1S 0.00000 -0.01633 -0.00045 0.00000 0.00000 62 2S 0.00000 -0.41171 -0.01127 0.00000 0.00000 63 2PX 0.00000 0.12747 0.00349 0.00000 0.00000 64 2PY 0.00000 0.00474 -0.17332 0.00000 0.00000 65 2PZ 0.00091 0.00000 0.00000 -0.00000 0.00000 66 3S 0.00000 1.09771 0.03004 0.00000 0.00000 67 3PX 0.00000 -1.56931 -0.04294 0.00000 0.00000 68 3PY 0.00000 0.01178 -0.43061 0.00000 0.00000 69 3PZ -0.00007 0.00000 0.00000 -0.00000 0.00000 70 4XX 0.00000 -0.00060 -0.00002 0.00000 0.00000 71 4YY 0.00000 -0.03950 -0.00108 0.00000 0.00000 72 4ZZ 0.00000 0.02372 0.00065 0.00000 0.00000 73 4XY 0.00000 -0.00244 0.08934 0.00000 0.00000 74 4XZ 0.00246 0.00000 0.00000 -0.00000 0.00000 75 4YZ 0.29892 0.00000 0.00000 -0.00363 -0.02778 76 6 C 1S 0.00000 0.00876 0.01760 0.00000 0.00000 77 2S 0.00000 0.23231 0.45786 0.00000 0.00000 78 2PX 0.00000 -0.11634 -0.03651 0.00000 0.00000 79 2PY 0.00000 0.01876 0.17784 0.00000 0.00000 80 2PZ 0.06267 0.00000 0.00000 0.05571 -0.08222 81 3S 0.00000 -1.36689 -1.41760 0.00000 0.00000 82 3PX 0.00000 0.63405 0.55995 0.00000 0.00000 83 3PY 0.00000 -0.18572 -2.46367 0.00000 0.00000 84 3PZ 0.06420 0.00000 0.00000 -0.05541 0.06004 85 4XX 0.00000 0.01428 -0.00879 0.00000 0.00000 86 4YY 0.00000 -0.00457 0.01913 0.00000 0.00000 87 4ZZ 0.00000 -0.00435 -0.00416 0.00000 0.00000 88 4XY 0.00000 -0.00558 0.06710 0.00000 0.00000 89 4XZ -0.04116 0.00000 0.00000 0.15542 -0.22048 90 4YZ -0.22342 0.00000 0.00000 -0.16339 0.26061 91 7 C 1S 0.00000 0.00515 -0.02717 0.00000 0.00000 92 2S 0.00000 0.12124 -0.53048 0.00000 0.00000 93 2PX 0.00000 -0.00324 0.06881 0.00000 0.00000 94 2PY 0.00000 0.05793 -0.24257 0.00000 0.00000 95 2PZ -0.02448 0.00000 0.00000 0.06447 -0.10308 96 3S 0.00000 -0.75196 2.38929 0.00000 0.00000 97 3PX 0.00000 0.48915 -0.06176 0.00000 0.00000 98 3PY 0.00000 -1.94070 2.70932 0.00000 0.00000 99 3PZ -0.08689 0.00000 0.00000 -0.00285 0.03655 100 4XX 0.00000 0.01585 -0.05226 0.00000 0.00000 101 4YY 0.00000 -0.01261 -0.00885 0.00000 0.00000 102 4ZZ 0.00000 -0.00594 0.02653 0.00000 0.00000 103 4XY 0.00000 0.00239 -0.01083 0.00000 0.00000 104 4XZ -0.08486 0.00000 0.00000 -0.12951 0.19159 105 4YZ 0.14303 0.00000 0.00000 -0.26257 0.35015 106 8 H 1S 0.00000 -0.08498 0.36783 0.00000 0.00000 107 2S 0.00000 -1.10576 0.45660 0.00000 0.00000 108 9 H 1S 0.00000 -0.01412 -0.39420 0.00000 0.00000 109 2S 0.00000 -0.04257 -0.76644 0.00000 0.00000 110 10 H 1S 0.00000 0.25848 0.00707 0.00000 0.00000 111 2S 0.00000 0.45579 0.01247 0.00000 0.00000 112 11 H 1S 0.00000 -0.03566 0.39283 0.00000 0.00000 113 2S 0.00000 -0.08442 0.76297 0.00000 0.00000 114 12 H 1S 0.00000 -0.06474 -0.37193 0.00000 0.00000 115 2S 0.00000 -1.07914 -0.51638 0.00000 0.00000 116 13 C 1S 0.00000 0.01208 -0.01967 0.00000 0.00000 117 2S 0.00000 0.09736 -0.15846 0.00000 0.00000 118 2PX 0.00000 -0.07089 0.20018 0.00000 0.00000 119 2PY 0.00000 0.21014 -0.29305 0.00000 0.00000 120 2PZ -0.01746 0.00000 0.00000 0.00000 -0.00692 121 3S 0.00000 -1.35994 2.21337 0.00000 0.00000 122 3PX 0.00000 1.98282 -0.80028 0.00000 0.00000 123 3PY 0.00000 -0.93448 2.92208 0.00000 0.00000 124 3PZ 0.13707 0.00000 0.00000 -0.00000 0.03565 125 4XX 0.00000 0.00383 -0.00809 0.00000 0.00000 126 4YY 0.00000 0.00783 -0.01089 0.00000 0.00000 127 4ZZ 0.00000 -0.01381 0.02247 0.00000 0.00000 128 4XY 0.00000 -0.00179 0.00415 0.00000 0.00000 129 4XZ -0.13623 0.00000 0.00000 -0.11587 -0.05751 130 4YZ -0.05276 0.00000 0.00000 -0.06690 -0.06205 131 14 C 1S 0.00000 0.02096 0.01804 0.00000 0.00000 132 2S 0.00000 0.39879 0.37024 0.00000 0.00000 133 2PX 0.00000 -0.12785 -0.12988 0.00000 0.00000 134 2PY 0.00000 -0.14075 -0.11795 0.00000 0.00000 135 2PZ -0.00488 0.00000 0.00000 0.06447 0.06304 136 3S 0.00000 -1.69321 -1.84587 0.00000 0.00000 137 3PX 0.00000 1.28719 2.40144 0.00000 0.00000 138 3PY 0.00000 0.52251 1.91128 0.00000 0.00000 139 3PZ -0.03495 0.00000 0.00000 -0.00285 -0.04687 140 4XX 0.00000 0.02595 0.01071 0.00000 0.00000 141 4YY 0.00000 0.02535 0.02265 0.00000 0.00000 142 4ZZ 0.00000 -0.02001 -0.01841 0.00000 0.00000 143 4XY 0.00000 -0.01578 -0.02692 0.00000 0.00000 144 4XZ -0.09512 0.00000 0.00000 0.29215 0.20454 145 4YZ 0.19733 0.00000 0.00000 0.01913 0.01299 146 15 C 1S 0.00000 -0.01963 -0.00121 0.00000 0.00000 147 2S 0.00000 -0.51267 -0.02775 0.00000 0.00000 148 2PX 0.00000 0.09661 0.10419 0.00000 0.00000 149 2PY 0.00000 0.15945 -0.03511 0.00000 0.00000 150 2PZ -0.04672 0.00000 0.00000 0.05571 0.03489 151 3S 0.00000 1.91112 -0.47496 0.00000 0.00000 152 3PX 0.00000 -1.52719 -1.06208 0.00000 0.00000 153 3PY 0.00000 -1.80774 -0.30243 0.00000 0.00000 154 3PZ -0.01686 0.00000 0.00000 -0.05541 -0.01387 155 4XX 0.00000 -0.05208 -0.03474 0.00000 0.00000 156 4YY 0.00000 0.03827 0.03798 0.00000 0.00000 157 4ZZ 0.00000 0.00577 -0.00169 0.00000 0.00000 158 4XY 0.00000 0.02029 0.00405 0.00000 0.00000 159 4XZ 0.03331 0.00000 0.00000 0.06379 0.05427 160 4YZ -0.13708 0.00000 0.00000 0.21629 0.15512 161 16 C 1S 0.00000 0.00855 -0.01392 0.00000 0.00000 162 2S 0.00000 0.21561 -0.35092 0.00000 0.00000 163 2PX 0.00000 -0.09456 -0.13293 0.00000 0.00000 164 2PY 0.00000 -0.13168 0.04871 0.00000 0.00000 165 2PZ 0.07039 0.00000 0.00000 -0.00000 -0.00116 166 3S 0.00000 -0.57487 0.93563 0.00000 0.00000 167 3PX 0.00000 -0.72878 0.47350 0.00000 0.00000 168 3PY 0.00000 0.52822 -1.27114 0.00000 0.00000 169 3PZ -0.00575 0.00000 0.00000 -0.00000 -0.00826 170 4XX 0.00000 -0.04152 -0.06047 0.00000 0.00000 171 4YY 0.00000 0.06252 0.02629 0.00000 0.00000 172 4ZZ 0.00000 -0.01242 0.02022 0.00000 0.00000 173 4XY 0.00000 0.04826 0.00682 0.00000 0.00000 174 4XZ 0.03679 0.00000 0.00000 0.00314 -0.00561 175 4YZ 0.24098 0.00000 0.00000 0.00181 -0.01806 176 17 C 1S 0.00000 0.00995 0.01696 0.00000 0.00000 177 2S 0.00000 0.25642 0.44480 0.00000 0.00000 178 2PX 0.00000 0.10358 0.15648 0.00000 0.00000 179 2PY 0.00000 0.09793 -0.04519 0.00000 0.00000 180 2PZ 0.01735 0.00000 0.00000 -0.05571 -0.04731 181 3S 0.00000 -0.43992 -1.91949 0.00000 0.00000 182 3PX 0.00000 -1.75989 -1.71943 0.00000 0.00000 183 3PY 0.00000 -0.87484 -0.02621 0.00000 0.00000 184 3PZ 0.04837 0.00000 0.00000 0.05541 0.04615 185 4XX 0.00000 -0.03433 -0.01725 0.00000 0.00000 186 4YY 0.00000 0.03768 0.03103 0.00000 0.00000 187 4ZZ 0.00000 -0.00110 -0.00591 0.00000 0.00000 188 4XY 0.00000 0.04646 0.01574 0.00000 0.00000 189 4XZ -0.07437 0.00000 0.00000 0.21921 0.17436 190 4YZ -0.24532 0.00000 0.00000 -0.05290 -0.03006 191 18 C 1S 0.00000 -0.02557 -0.01054 0.00000 0.00000 192 2S 0.00000 -0.51049 -0.18844 0.00000 0.00000 193 2PX 0.00000 -0.23303 -0.09026 0.00000 0.00000 194 2PY 0.00000 -0.06596 -0.01182 0.00000 0.00000 195 2PZ -0.02960 0.00000 0.00000 -0.06447 -0.04000 196 3S 0.00000 2.41179 0.67632 0.00000 0.00000 197 3PX 0.00000 3.04302 -0.31279 0.00000 0.00000 198 3PY 0.00000 1.38844 0.25340 0.00000 0.00000 199 3PZ -0.12248 0.00000 0.00000 0.00285 -0.01033 200 4XX 0.00000 -0.00571 -0.01243 0.00000 0.00000 201 4YY 0.00000 -0.04724 -0.01825 0.00000 0.00000 202 4ZZ 0.00000 0.02546 0.00953 0.00000 0.00000 203 4XY 0.00000 0.02076 -0.00201 0.00000 0.00000 204 4XZ 0.04668 0.00000 0.00000 0.16264 0.09386 205 4YZ 0.17667 0.00000 0.00000 0.24344 0.17026 206 19 H 1S 0.00000 0.35447 0.12990 0.00000 0.00000 207 2S 0.00000 0.98677 -0.67637 0.00000 0.00000 208 20 H 1S 0.00000 -0.32237 -0.22730 0.00000 0.00000 209 2S 0.00000 -0.61854 -0.45460 0.00000 0.00000 210 21 H 1S 0.00000 -0.13536 0.22031 0.00000 0.00000 211 2S 0.00000 -0.23870 0.38849 0.00000 0.00000 212 22 H 1S 0.00000 0.34845 0.18487 0.00000 0.00000 213 2S 0.00000 0.68505 0.34635 0.00000 0.00000 214 23 H 1S 0.00000 -0.27606 -0.25751 0.00000 0.00000 215 2S 0.00000 0.15746 -1.18591 0.00000 0.00000 216 24 C 1S 0.00000 0.01099 0.02030 0.00000 0.00000 217 2S 0.00000 0.08855 0.16355 0.00000 0.00000 218 2PX 0.00000 -0.05984 -0.20375 0.00000 0.00000 219 2PY 0.00000 -0.19380 -0.30410 0.00000 0.00000 220 2PZ 0.01769 0.00000 0.00000 0.00000 0.00692 221 3S 0.00000 -1.23687 -2.28443 0.00000 0.00000 222 3PX 0.00000 1.93609 0.90750 0.00000 0.00000 223 3PY 0.00000 0.77330 2.96880 0.00000 0.00000 224 3PZ -0.13884 0.00000 0.00000 -0.00000 -0.03564 225 4XX 0.00000 0.00338 0.00829 0.00000 0.00000 226 4YY 0.00000 0.00722 0.01130 0.00000 0.00000 227 4ZZ 0.00000 -0.01256 -0.02319 0.00000 0.00000 228 4XY 0.00000 0.00156 0.00424 0.00000 0.00000 229 4XZ 0.13164 0.00000 0.00000 0.11587 0.05755 230 4YZ -0.04977 0.00000 0.00000 -0.06690 -0.06207 231 25 C 1S 0.00000 -0.02611 0.00913 0.00000 0.00000 232 2S 0.00000 -0.52003 0.16024 0.00000 0.00000 233 2PX 0.00000 -0.23762 0.07738 0.00000 0.00000 234 2PY 0.00000 0.06650 -0.00819 0.00000 0.00000 235 2PZ 0.02936 0.00000 0.00000 0.06447 0.04004 236 3S 0.00000 2.44517 -0.54343 0.00000 0.00000 237 3PX 0.00000 3.02136 0.47872 0.00000 0.00000 238 3PY 0.00000 -1.40022 0.17710 0.00000 0.00000 239 3PZ 0.12184 0.00000 0.00000 -0.00285 0.01032 240 4XX 0.00000 -0.00638 0.01210 0.00000 0.00000 241 4YY 0.00000 -0.04816 0.01564 0.00000 0.00000 242 4ZZ 0.00000 0.02594 -0.00812 0.00000 0.00000 243 4XY 0.00000 -0.02062 -0.00314 0.00000 0.00000 244 4XZ -0.04297 0.00000 0.00000 -0.16264 -0.09393 245 4YZ 0.17907 0.00000 0.00000 0.24344 0.17036 246 26 C 1S 0.00000 0.01086 -0.01639 0.00000 0.00000 247 2S 0.00000 0.28036 -0.43011 0.00000 0.00000 248 2PX 0.00000 0.11198 -0.15058 0.00000 0.00000 249 2PY 0.00000 -0.09531 -0.05048 0.00000 0.00000 250 2PZ -0.01595 0.00000 0.00000 0.05571 0.04733 251 3S 0.00000 -0.54423 1.89256 0.00000 0.00000 252 3PX 0.00000 -1.85129 1.62063 0.00000 0.00000 253 3PY 0.00000 0.87496 0.02167 0.00000 0.00000 254 3PZ -0.04734 0.00000 0.00000 -0.05541 -0.04616 255 4XX 0.00000 -0.03522 0.01534 0.00000 0.00000 256 4YY 0.00000 0.03932 -0.02892 0.00000 0.00000 257 4ZZ 0.00000 -0.00143 0.00585 0.00000 0.00000 258 4XY 0.00000 -0.04725 0.01317 0.00000 0.00000 259 4XZ 0.07085 0.00000 0.00000 -0.21921 -0.17446 260 4YZ -0.24474 0.00000 0.00000 -0.05290 -0.03008 261 27 C 1S 0.00000 0.00778 0.01437 0.00000 0.00000 262 2S 0.00000 0.19610 0.36218 0.00000 0.00000 263 2PX 0.00000 -0.10169 0.12756 0.00000 0.00000 264 2PY 0.00000 0.12882 0.05584 0.00000 0.00000 265 2PZ -0.07130 0.00000 0.00000 -0.00000 0.00116 266 3S 0.00000 -0.52284 -0.96567 0.00000 0.00000 267 3PX 0.00000 -0.70180 -0.51264 0.00000 0.00000 268 3PY 0.00000 -0.45792 -1.29813 0.00000 0.00000 269 3PZ 0.00582 0.00000 0.00000 -0.00000 0.00826 270 4XX 0.00000 -0.04476 0.05811 0.00000 0.00000 271 4YY 0.00000 0.06386 -0.02283 0.00000 0.00000 272 4ZZ 0.00000 -0.01130 -0.02087 0.00000 0.00000 273 4XY 0.00000 -0.04856 0.00417 0.00000 0.00000 274 4XZ -0.03056 0.00000 0.00000 -0.00314 0.00561 275 4YZ 0.24022 0.00000 0.00000 0.00181 -0.01806 276 28 C 1S 0.00000 -0.01966 0.00014 0.00000 0.00000 277 2S 0.00000 -0.51342 -0.00033 0.00000 0.00000 278 2PX 0.00000 0.10216 -0.09875 0.00000 0.00000 279 2PY 0.00000 -0.15730 -0.04378 0.00000 0.00000 280 2PZ 0.04570 0.00000 0.00000 -0.05571 -0.03492 281 3S 0.00000 1.88229 0.57876 0.00000 0.00000 282 3PX 0.00000 -1.58298 0.97698 0.00000 0.00000 283 3PY 0.00000 1.82157 -0.20312 0.00000 0.00000 284 3PZ 0.01542 0.00000 0.00000 0.05541 0.01389 285 4XX 0.00000 -0.05390 0.03184 0.00000 0.00000 286 4YY 0.00000 0.04029 -0.03583 0.00000 0.00000 287 4ZZ 0.00000 0.00567 0.00200 0.00000 0.00000 288 4XY 0.00000 -0.02048 0.00293 0.00000 0.00000 289 4XZ -0.03924 0.00000 0.00000 -0.06379 -0.05431 290 4YZ -0.13685 0.00000 0.00000 0.21629 0.15522 291 29 C 1S 0.00000 0.02191 -0.01687 0.00000 0.00000 292 2S 0.00000 0.41844 -0.34788 0.00000 0.00000 293 2PX 0.00000 -0.13476 0.12269 0.00000 0.00000 294 2PY 0.00000 0.14699 -0.11008 0.00000 0.00000 295 2PZ 0.00557 0.00000 0.00000 -0.06447 -0.06307 296 3S 0.00000 -1.79161 1.75051 0.00000 0.00000 297 3PX 0.00000 1.41658 -2.32747 0.00000 0.00000 298 3PY 0.00000 -0.62624 1.87985 0.00000 0.00000 299 3PZ 0.03762 0.00000 0.00000 0.00285 0.04687 300 4XX 0.00000 0.02649 -0.00928 0.00000 0.00000 301 4YY 0.00000 0.02655 -0.02123 0.00000 0.00000 302 4ZZ 0.00000 -0.02098 0.01728 0.00000 0.00000 303 4XY 0.00000 0.01722 -0.02602 0.00000 0.00000 304 4XZ 0.09842 0.00000 0.00000 -0.29215 -0.20465 305 4YZ 0.19609 0.00000 0.00000 0.01913 0.01299 306 30 H 1S 0.00000 -0.28973 0.24203 0.00000 0.00000 307 2S 0.00000 0.09237 1.19275 0.00000 0.00000 308 31 H 1S 0.00000 0.35803 -0.16554 0.00000 0.00000 309 2S 0.00000 0.70296 -0.30837 0.00000 0.00000 310 32 H 1S 0.00000 -0.12311 -0.22738 0.00000 0.00000 311 2S 0.00000 -0.21709 -0.40096 0.00000 0.00000 312 33 H 1S 0.00000 -0.33432 0.20933 0.00000 0.00000 313 2S 0.00000 -0.64247 0.42009 0.00000 0.00000 314 34 H 1S 0.00000 0.36104 -0.11032 0.00000 0.00000 315 2S 0.00000 0.94830 0.72932 0.00000 0.00000 211 212 213 214 215 (E")--V (A')--V (A')--V (A")--V (E')--V Eigenvalues -- 1.38977 1.39120 1.43152 1.50887 1.50921 1 1 C 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 2 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 3 2PX 0.00000 -0.00000 -0.00000 0.00000 0.10554 4 2PY 0.00000 -0.00000 0.00000 0.00000 -0.69989 5 2PZ 0.00000 0.00000 0.00000 -0.12447 0.00000 6 3S 0.00000 -0.00001 0.00001 0.00000 0.00000 7 3PX 0.00000 0.00000 0.00000 0.00000 -1.92427 8 3PY 0.00000 -0.00000 0.00000 0.00000 12.76052 9 3PZ -0.00000 0.00000 0.00000 1.05135 0.00000 10 4XX 0.00000 -0.00000 -0.00000 0.00000 0.02166 11 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.02166 12 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 13 4XY 0.00000 -0.00000 0.00000 0.00000 0.16589 14 4XZ -0.00737 0.00000 0.00000 0.00000 0.00000 15 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 16 2 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00596 17 2S 0.00000 -0.00000 0.00000 0.00000 -0.07126 18 2PX 0.00000 -0.00000 -0.00000 0.00000 0.05138 19 2PY 0.00000 -0.43859 -0.38618 0.00000 0.39567 20 2PZ -0.00799 0.00000 0.00000 0.05460 0.00000 21 3S 0.00000 0.00001 0.00000 0.00000 0.87956 22 3PX 0.00000 -0.00000 0.00001 0.00000 -1.35561 23 3PY 0.00000 4.01632 5.52410 0.00000 -8.07536 24 3PZ 0.04116 0.00000 0.00000 -0.67087 0.00000 25 4XX 0.00000 0.00000 0.00000 0.00000 0.00701 26 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00574 27 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00350 28 4XY 0.00000 -0.02560 -0.00865 0.00000 -0.14909 29 4XZ -0.02885 0.00000 0.00000 0.38836 0.00000 30 4YZ -0.00003 0.00000 0.00000 -0.00000 0.00000 31 3 C 1S 0.00000 -0.00394 0.02463 0.00000 -0.03491 32 2S 0.00000 -0.11804 0.44184 0.00000 -0.10494 33 2PX 0.00000 -0.17773 -0.12644 0.00000 -0.21942 34 2PY 0.00000 0.17367 -0.22550 0.00000 0.02105 35 2PZ 0.01332 0.00000 0.00000 -0.04164 0.00000 36 3S 0.00000 -0.37076 -2.79796 0.00000 4.71382 37 3PX 0.00000 3.36441 2.44189 0.00000 -1.46012 38 3PY 0.00000 -0.40465 3.65687 0.00000 -3.48061 39 3PZ -0.03303 0.00000 0.00000 0.22955 0.00000 40 4XX 0.00000 -0.03203 0.03166 0.00000 0.00632 41 4YY 0.00000 0.05366 0.02101 0.00000 -0.02825 42 4ZZ 0.00000 -0.01642 -0.03643 0.00000 0.05512 43 4XY 0.00000 -0.04938 -0.02271 0.00000 -0.03987 44 4XZ 0.00545 0.00000 0.00000 -0.04315 0.00000 45 4YZ 0.00999 0.00000 0.00000 -0.26167 0.00000 46 4 C 1S 0.00000 0.01571 -0.00742 0.00000 0.01471 47 2S 0.00000 0.19399 -0.33247 0.00000 0.31822 48 2PX 0.00000 0.04485 0.08580 0.00000 0.01099 49 2PY 0.00000 -0.02691 0.10214 0.00000 -0.07431 50 2PZ -0.00715 0.00000 0.00000 0.02424 0.00000 51 3S 0.00000 -2.31867 -0.25364 0.00000 -0.68672 52 3PX 0.00000 1.43902 0.32051 0.00000 0.10500 53 3PY 0.00000 0.62331 -2.13156 0.00000 1.85495 54 3PZ 0.01862 0.00000 0.00000 -0.06062 0.00000 55 4XX 0.00000 -0.04230 -0.01886 0.00000 -0.00979 56 4YY 0.00000 0.06189 0.02167 0.00000 0.00062 57 4ZZ 0.00000 -0.01171 -0.00296 0.00000 0.00304 58 4XY 0.00000 -0.01434 0.03698 0.00000 0.00993 59 4XZ -0.00343 0.00000 0.00000 0.05556 0.00000 60 4YZ -0.00654 0.00000 0.00000 0.02257 0.00000 61 5 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00149 62 2S 0.00000 -0.00000 -0.00000 0.00000 0.04146 63 2PX 0.00000 0.00000 0.00000 0.00000 -0.01161 64 2PY 0.00000 0.12044 -0.14666 0.00000 0.18150 65 2PZ -0.00134 0.00000 0.00000 0.01030 0.00000 66 3S 0.00000 0.00001 0.00000 0.00000 -0.08475 67 3PX 0.00000 -0.00001 -0.00001 0.00000 0.12531 68 3PY 0.00000 -0.41327 -0.58458 0.00000 0.44198 69 3PZ -0.00954 0.00000 0.00000 -0.00012 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00368 71 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00051 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00020 73 4XY 0.00000 -0.04718 0.03917 0.00000 -0.02625 74 4XZ -0.01482 0.00000 0.00000 0.09996 0.00000 75 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.01571 0.00742 0.00000 -0.01567 77 2S 0.00000 -0.19399 0.33247 0.00000 -0.36726 78 2PX 0.00000 -0.04485 -0.08580 0.00000 0.03369 79 2PY 0.00000 -0.02691 0.10214 0.00000 -0.08912 80 2PZ -0.00718 0.00000 0.00000 0.02424 0.00000 81 3S 0.00000 2.31865 0.25363 0.00000 0.56186 82 3PX 0.00000 -1.43901 -0.32050 0.00000 -0.08082 83 3PY 0.00000 0.62330 -2.13156 0.00000 1.88472 84 3PZ 0.01864 0.00000 0.00000 -0.06062 0.00000 85 4XX 0.00000 0.04230 0.01886 0.00000 -0.00033 86 4YY 0.00000 -0.06189 -0.02167 0.00000 -0.00264 87 4ZZ 0.00000 0.01171 0.00296 0.00000 0.00930 88 4XY 0.00000 -0.01434 0.03698 0.00000 0.00220 89 4XZ -0.00351 0.00000 0.00000 0.05556 0.00000 90 4YZ 0.00663 0.00000 0.00000 -0.02257 0.00000 91 7 C 1S 0.00000 0.00394 -0.02463 0.00000 0.03463 92 2S 0.00000 0.11804 -0.44183 0.00000 0.11928 93 2PX 0.00000 0.17773 0.12644 0.00000 0.20407 94 2PY 0.00000 0.17367 -0.22550 0.00000 0.03233 95 2PZ 0.01328 0.00000 0.00000 -0.04164 0.00000 96 3S 0.00000 0.37077 2.79797 0.00000 -4.29364 97 3PX 0.00000 -3.36440 -2.44189 0.00000 1.86529 98 3PY 0.00000 -0.40466 3.65686 0.00000 -2.76503 99 3PZ -0.03302 0.00000 0.00000 0.22955 0.00000 100 4XX 0.00000 0.03203 -0.03166 0.00000 -0.01496 101 4YY 0.00000 -0.05366 -0.02101 0.00000 0.03303 102 4ZZ 0.00000 0.01642 0.03643 0.00000 -0.04990 103 4XY 0.00000 -0.04938 -0.02271 0.00000 -0.03732 104 4XZ 0.00552 0.00000 0.00000 -0.04315 0.00000 105 4YZ -0.00988 0.00000 0.00000 0.26167 0.00000 106 8 H 1S 0.00000 -0.36049 0.06622 0.00000 0.15232 107 2S 0.00000 -0.21376 2.00530 0.00000 -0.87511 108 9 H 1S 0.00000 0.14731 -0.30975 0.00000 0.28927 109 2S 0.00000 0.28678 -0.64992 0.00000 0.54135 110 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.02449 111 2S 0.00000 0.00000 0.00000 0.00000 -0.03899 112 11 H 1S 0.00000 -0.14731 0.30975 0.00000 -0.27400 113 2S 0.00000 -0.28678 0.64991 0.00000 -0.53224 114 12 H 1S 0.00000 0.36049 -0.06622 0.00000 -0.06216 115 2S 0.00000 0.21375 -2.00530 0.00000 1.40236 116 13 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.03718 117 2S 0.00000 -0.00000 0.00000 0.00000 0.44489 118 2PX 0.00000 0.37983 0.33444 0.00000 0.28697 119 2PY 0.00000 0.21930 0.19309 0.00000 -0.20472 120 2PZ 0.00399 0.00000 0.00000 0.05460 0.00000 121 3S 0.00000 0.00001 0.00000 0.00000 -5.49103 122 3PX 0.00000 -3.47824 -4.78402 0.00000 -6.81492 123 3PY 0.00000 -2.00816 -2.76205 0.00000 5.83764 124 3PZ -0.02057 0.00000 0.00000 -0.67087 0.00000 125 4XX 0.00000 -0.01920 -0.00649 0.00000 0.05723 126 4YY 0.00000 0.01920 0.00649 0.00000 -0.06518 127 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.02184 128 4XY 0.00000 0.01280 0.00432 0.00000 0.01226 129 4XZ -0.12850 0.00000 0.00000 -0.19418 0.00000 130 4YZ -0.05754 0.00000 0.00000 0.33633 0.00000 131 14 C 1S 0.00000 0.00394 -0.02463 0.00000 -0.01197 132 2S 0.00000 0.11804 -0.44183 0.00000 -0.08619 133 2PX 0.00000 -0.23926 0.13207 0.00000 0.05419 134 2PY 0.00000 0.06708 0.22225 0.00000 -0.00370 135 2PZ 0.08263 0.00000 0.00000 -0.04164 0.00000 136 3S 0.00000 0.37077 2.79797 0.00000 0.35203 137 3PX 0.00000 2.03264 -1.94599 0.00000 1.87486 138 3PY 0.00000 -2.71132 -3.94317 0.00000 -1.08720 139 3PZ -0.01515 0.00000 0.00000 0.22955 0.00000 140 4XX 0.00000 -0.06927 -0.04071 0.00000 -0.00726 141 4YY 0.00000 0.04764 -0.01197 0.00000 0.01192 142 4ZZ 0.00000 0.01642 0.03643 0.00000 0.00310 143 4XY 0.00000 -0.01815 0.01668 0.00000 -0.03173 144 4XZ 0.34268 0.00000 0.00000 -0.20503 0.00000 145 4YZ 0.00307 0.00000 0.00000 -0.16820 0.00000 146 15 C 1S 0.00000 -0.01571 0.00742 0.00000 0.00859 147 2S 0.00000 -0.19399 0.33247 0.00000 0.27968 148 2PX 0.00000 0.04573 -0.04556 0.00000 0.00566 149 2PY 0.00000 -0.02538 -0.12538 0.00000 -0.16258 150 2PZ 0.07480 0.00000 0.00000 0.02424 0.00000 151 3S 0.00000 2.31865 0.25363 0.00000 0.15924 152 3PX 0.00000 0.17971 2.00624 0.00000 0.69921 153 3PY 0.00000 -1.55787 0.78822 0.00000 0.35611 154 3PZ -0.06132 0.00000 0.00000 -0.06062 0.00000 155 4XX 0.00000 -0.04659 0.01620 0.00000 0.02906 156 4YY 0.00000 0.02700 -0.01901 0.00000 0.00769 157 4ZZ 0.00000 0.01171 0.00296 0.00000 -0.03967 158 4XY 0.00000 -0.04493 -0.03876 0.00000 -0.02242 159 4XZ 0.10197 0.00000 0.00000 -0.00823 0.00000 160 4YZ 0.28139 0.00000 0.00000 0.05941 0.00000 161 16 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00931 162 2S 0.00000 -0.00000 -0.00000 0.00000 -0.25879 163 2PX 0.00000 -0.10431 0.12701 0.00000 0.02181 164 2PY 0.00000 -0.06022 0.07333 0.00000 0.09631 165 2PZ 0.00067 0.00000 0.00000 0.01030 0.00000 166 3S 0.00000 0.00001 0.00000 0.00000 0.52899 167 3PX 0.00000 0.35790 0.50626 0.00000 0.53250 168 3PY 0.00000 0.20663 0.29229 0.00000 -0.59578 169 3PZ 0.00477 0.00000 0.00000 -0.00012 0.00000 170 4XX 0.00000 -0.03539 0.02938 0.00000 0.00392 171 4YY 0.00000 0.03539 -0.02938 0.00000 -0.02373 172 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00124 173 4XY 0.00000 0.02359 -0.01959 0.00000 0.00825 174 4XZ -0.02454 0.00000 0.00000 -0.04998 0.00000 175 4YZ -0.00561 0.00000 0.00000 0.08657 0.00000 176 17 C 1S 0.00000 0.01571 -0.00742 0.00000 -0.00263 177 2S 0.00000 0.19399 -0.33247 0.00000 0.02646 178 2PX 0.00000 0.00088 -0.13136 0.00000 0.08149 179 2PY 0.00000 0.05230 0.02323 0.00000 -0.10912 180 2PZ -0.06763 0.00000 0.00000 0.02424 0.00000 181 3S 0.00000 -2.31867 -0.25364 0.00000 0.62047 182 3PX 0.00000 -1.25931 1.68573 0.00000 0.57269 183 3PY 0.00000 0.93458 1.34335 0.00000 0.20380 184 3PZ 0.04269 0.00000 0.00000 -0.06062 0.00000 185 4XX 0.00000 0.02509 0.03927 0.00000 -0.00718 186 4YY 0.00000 -0.00550 -0.03646 0.00000 0.04621 187 4ZZ 0.00000 -0.01171 -0.00296 0.00000 -0.03736 188 4XY 0.00000 0.05926 0.00177 0.00000 -0.00064 189 4XZ 0.28724 0.00000 0.00000 -0.04733 0.00000 190 4YZ -0.05267 0.00000 0.00000 0.03683 0.00000 191 18 C 1S 0.00000 -0.00394 0.02463 0.00000 0.01372 192 2S 0.00000 -0.11804 0.44184 0.00000 -0.00336 193 2PX 0.00000 -0.06154 0.25851 0.00000 -0.08503 194 2PY 0.00000 -0.24075 0.00325 0.00000 0.09656 195 2PZ -0.09592 0.00000 0.00000 -0.04164 0.00000 196 3S 0.00000 -0.37076 -2.79796 0.00000 -2.97537 197 3PX 0.00000 -1.33176 -4.38789 0.00000 -2.60816 198 3PY 0.00000 3.11599 0.28631 0.00000 -2.25702 199 3PZ 0.04816 0.00000 0.00000 0.22955 0.00000 200 4XX 0.00000 -0.00480 0.00665 0.00000 0.01973 201 4YY 0.00000 0.02642 0.04603 0.00000 -0.00029 202 4ZZ 0.00000 -0.01642 -0.03643 0.00000 -0.03570 203 4XY 0.00000 0.06753 0.00603 0.00000 -0.02446 204 4XZ 0.18534 0.00000 0.00000 0.24819 0.00000 205 4YZ 0.29545 0.00000 0.00000 0.09346 0.00000 206 19 H 1S 0.00000 0.36049 -0.06622 0.00000 -0.24181 207 2S 0.00000 0.21375 -2.00530 0.00000 -2.06643 208 20 H 1S 0.00000 -0.14731 0.30975 0.00000 0.05638 209 2S 0.00000 -0.28678 0.64991 0.00000 0.16987 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.15291 211 2S 0.00000 0.00000 0.00000 0.00000 0.24340 212 22 H 1S 0.00000 0.14731 -0.30975 0.00000 -0.15169 213 2S 0.00000 0.28678 -0.64992 0.00000 -0.22672 214 23 H 1S 0.00000 -0.36049 0.06622 0.00000 -0.32104 215 2S 0.00000 -0.21376 2.00530 0.00000 -1.22513 216 24 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.03123 217 2S 0.00000 -0.00000 0.00000 0.00000 -0.37363 218 2PX 0.00000 -0.37983 -0.33444 0.00000 -0.35078 219 2PY 0.00000 0.21930 0.19309 0.00000 -0.10854 220 2PZ 0.00400 0.00000 0.00000 0.05460 0.00000 221 3S 0.00000 0.00001 0.00000 0.00000 4.61147 222 3PX 0.00000 3.47824 4.78401 0.00000 7.96374 223 3PY 0.00000 -2.00816 -2.76206 0.00000 3.60904 224 3PZ -0.02058 0.00000 0.00000 -0.67087 0.00000 225 4XX 0.00000 0.01920 0.00649 0.00000 -0.08388 226 4YY 0.00000 -0.01920 -0.00649 0.00000 0.09056 227 4ZZ 0.00000 0.00000 0.00000 0.00000 0.01834 228 4XY 0.00000 0.01280 0.00432 0.00000 -0.01359 229 4XZ -0.12848 0.00000 0.00000 -0.19418 0.00000 230 4YZ 0.05752 0.00000 0.00000 -0.33633 0.00000 231 25 C 1S 0.00000 0.00394 -0.02463 0.00000 -0.02266 232 2S 0.00000 0.11804 -0.44183 0.00000 -0.03310 233 2PX 0.00000 0.06154 -0.25851 0.00000 0.09792 234 2PY 0.00000 -0.24075 0.00325 0.00000 0.14411 235 2PZ -0.09591 0.00000 0.00000 -0.04164 0.00000 236 3S 0.00000 0.37077 2.79797 0.00000 3.94160 237 3PX 0.00000 1.33175 4.38788 0.00000 3.32312 238 3PY 0.00000 3.11598 0.28631 0.00000 -1.93440 239 3PZ 0.04816 0.00000 0.00000 0.22955 0.00000 240 4XX 0.00000 0.00480 -0.00665 0.00000 -0.03235 241 4YY 0.00000 -0.02643 -0.04603 0.00000 0.00962 242 4ZZ 0.00000 0.01642 0.03643 0.00000 0.04680 243 4XY 0.00000 0.06753 0.00603 0.00000 -0.02012 244 4XZ 0.18531 0.00000 0.00000 0.24819 0.00000 245 4YZ -0.29539 0.00000 0.00000 -0.09346 0.00000 246 26 C 1S 0.00000 -0.01571 0.00742 0.00000 0.00707 247 2S 0.00000 -0.19399 0.33247 0.00000 0.08758 248 2PX 0.00000 -0.00088 0.13136 0.00000 -0.04395 249 2PY 0.00000 0.05230 0.02323 0.00000 -0.10158 250 2PZ -0.06762 0.00000 0.00000 0.02424 0.00000 251 3S 0.00000 2.31865 0.25363 0.00000 -0.72110 252 3PX 0.00000 1.25930 -1.68574 0.00000 -1.01462 253 3PY 0.00000 0.93457 1.34335 0.00000 0.44489 254 3PZ 0.04267 0.00000 0.00000 -0.06062 0.00000 255 4XX 0.00000 -0.02509 -0.03927 0.00000 0.00750 256 4YY 0.00000 0.00550 0.03646 0.00000 -0.04127 257 4ZZ 0.00000 0.01171 0.00296 0.00000 0.03037 258 4XY 0.00000 0.05926 0.00177 0.00000 -0.00058 259 4XZ 0.28718 0.00000 0.00000 -0.04733 0.00000 260 4YZ 0.05266 0.00000 0.00000 -0.03683 0.00000 261 27 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00782 262 2S 0.00000 -0.00000 -0.00000 0.00000 0.21734 263 2PX 0.00000 0.10430 -0.12701 0.00000 -0.06867 264 2PY 0.00000 -0.06022 0.07333 0.00000 0.10996 265 2PZ 0.00067 0.00000 0.00000 0.01030 0.00000 266 3S 0.00000 0.00001 0.00000 0.00000 -0.44424 267 3PX 0.00000 -0.35790 -0.50626 0.00000 -0.56982 268 3PY 0.00000 0.20664 0.29229 0.00000 -0.42954 269 3PZ 0.00477 0.00000 0.00000 -0.00012 0.00000 270 4XX 0.00000 0.03539 -0.02938 0.00000 -0.00960 271 4YY 0.00000 -0.03539 0.02938 0.00000 0.02623 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00104 273 4XY 0.00000 0.02359 -0.01959 0.00000 0.00273 274 4XZ -0.02454 0.00000 0.00000 -0.04998 0.00000 275 4YZ 0.00561 0.00000 0.00000 -0.08657 0.00000 276 28 C 1S 0.00000 0.01571 -0.00742 0.00000 -0.01208 277 2S 0.00000 0.19399 -0.33247 0.00000 -0.34468 278 2PX 0.00000 -0.04573 0.04556 0.00000 0.01610 279 2PY 0.00000 -0.02538 -0.12537 0.00000 -0.15278 280 2PZ 0.07479 0.00000 0.00000 0.02424 0.00000 281 3S 0.00000 -2.31867 -0.25364 0.00000 0.06624 282 3PX 0.00000 -0.17971 -2.00624 0.00000 -1.09110 283 3PY 0.00000 -1.55788 0.78821 0.00000 0.62435 284 3PZ -0.06131 0.00000 0.00000 -0.06062 0.00000 285 4XX 0.00000 0.04659 -0.01620 0.00000 -0.02296 286 4YY 0.00000 -0.02700 0.01901 0.00000 -0.00691 287 4ZZ 0.00000 -0.01171 -0.00296 0.00000 0.03432 288 4XY 0.00000 -0.04493 -0.03876 0.00000 -0.01684 289 4XZ 0.10196 0.00000 0.00000 -0.00823 0.00000 290 4YZ -0.28133 0.00000 0.00000 -0.05941 0.00000 291 29 C 1S 0.00000 -0.00394 0.02463 0.00000 0.02119 292 2S 0.00000 -0.11804 0.44184 0.00000 0.10830 293 2PX 0.00000 0.23926 -0.13207 0.00000 -0.08683 294 2PY 0.00000 0.06708 0.22225 0.00000 -0.05758 295 2PZ 0.08261 0.00000 0.00000 -0.04164 0.00000 296 3S 0.00000 -0.37076 -2.79796 0.00000 -1.73845 297 3PX 0.00000 -2.03264 1.94599 0.00000 -0.97448 298 3PY 0.00000 -2.71133 -3.94318 0.00000 -1.87458 299 3PZ -0.01513 0.00000 0.00000 0.22955 0.00000 300 4XX 0.00000 0.06927 0.04071 0.00000 0.00333 301 4YY 0.00000 -0.04764 0.01197 0.00000 -0.00084 302 4ZZ 0.00000 -0.01642 -0.03643 0.00000 -0.01942 303 4XY 0.00000 -0.01816 0.01668 0.00000 -0.03944 304 4XZ 0.34261 0.00000 0.00000 -0.20503 0.00000 305 4YZ -0.00306 0.00000 0.00000 0.16820 0.00000 306 30 H 1S 0.00000 0.36049 -0.06622 0.00000 0.30397 307 2S 0.00000 0.21375 -2.00530 0.00000 0.66407 308 31 H 1S 0.00000 -0.14731 0.30975 0.00000 0.21762 309 2S 0.00000 -0.28678 0.64991 0.00000 0.36237 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 -0.12841 311 2S 0.00000 0.00000 0.00000 0.00000 -0.20441 312 33 H 1S 0.00000 0.14731 -0.30975 0.00000 -0.13758 313 2S 0.00000 0.28678 -0.64992 0.00000 -0.31463 314 34 H 1S 0.00000 -0.36049 0.06622 0.00000 0.16872 315 2S 0.00000 -0.21376 2.00530 0.00000 2.10023 216 217 218 219 220 (E')--V (E')--V (E')--V (A')--V (A')--V Eigenvalues -- 1.50921 1.55091 1.55091 1.55535 1.64490 1 1 C 1S -0.00000 0.00000 -0.00000 -0.01132 -0.02662 2 2S -0.00000 0.00000 -0.00000 -0.80048 0.34225 3 2PX -0.69989 0.39324 -0.03093 0.00000 -0.00000 4 2PY -0.10554 -0.03093 -0.39324 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 -0.00000 0.00000 1.70781 0.29837 7 3PX 12.76052 -1.28912 0.10133 -0.00000 0.00000 8 3PY 1.92427 0.10133 1.28912 -0.00000 -0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.14367 -0.37338 0.02937 0.09525 -0.11155 11 4YY 0.14367 0.37338 -0.02937 0.09525 -0.11155 12 4ZZ 0.00000 0.00000 -0.00000 -0.20621 0.20226 13 4XY 0.02501 -0.03392 -0.43114 0.00000 -0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.03949 -0.03230 0.00254 0.01958 0.00020 17 2S 0.47257 -0.03690 0.00290 0.14652 0.01175 18 2PX -0.34073 -0.10711 0.00843 -0.09447 -0.12121 19 2PY 0.05967 -0.00699 -0.08879 0.00000 -0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S -5.83268 2.00735 -0.15788 -1.99129 -0.47256 22 3PX 8.98957 0.16564 -0.01308 -0.32605 0.14625 23 3PY -1.21775 0.01218 0.15412 -0.00001 0.00001 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX -0.04650 -0.37946 0.02985 0.20256 -0.21450 26 4YY 0.03805 0.26938 -0.02119 -0.10786 0.23893 27 4ZZ -0.02320 0.13068 -0.01028 -0.17244 -0.07813 28 4XY -0.02248 0.01734 0.22035 0.00000 -0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.00431 0.02066 0.00244 -0.02399 -0.00649 32 2S -0.06447 0.22684 -0.08687 -0.31654 -0.22105 33 2PX 0.01897 0.02694 0.02403 -0.02478 0.03046 34 2PY 0.04144 0.01173 0.13412 0.00768 0.00735 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -0.71413 -2.41828 0.13594 2.65958 0.54183 37 3PX -1.59420 -0.35721 0.42345 0.54813 0.01581 38 3PY 1.90172 0.24298 -0.50765 -0.59364 -0.18041 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX 0.03028 0.08278 -0.05382 -0.02000 0.14430 41 4YY -0.02049 -0.12291 0.08827 0.15743 -0.03420 42 4ZZ -0.00940 -0.00050 -0.05077 -0.13030 -0.15861 43 4XY 0.00266 0.07036 0.07312 -0.04813 0.08872 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00546 -0.01748 0.00074 0.01903 0.00093 47 2S 0.21428 -0.49813 0.01229 0.48435 -0.08669 48 2PX -0.14983 0.15634 -0.03048 -0.14512 0.04415 49 2PY -0.06140 0.05020 0.03046 -0.00988 0.03278 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.31998 2.90293 -0.42072 -3.30269 -0.48154 52 3PX -0.06622 -0.95413 0.26047 1.16606 0.08949 53 3PY 0.38060 -1.41563 0.02926 1.74097 0.44071 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.03285 0.03328 -0.04486 0.02037 0.11023 56 4YY 0.00694 0.00235 0.03081 0.05042 0.02860 57 4ZZ -0.04138 -0.03546 0.01147 -0.10369 -0.20752 58 4XY -0.02472 0.01955 -0.04318 0.00842 -0.02780 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S -0.00989 0.02404 -0.00189 -0.03173 -0.01344 62 2S -0.27489 0.47404 -0.03729 -0.56339 -0.24732 63 2PX 0.07701 -0.08430 0.00663 0.10500 0.05095 64 2PY 0.02737 -0.00218 -0.02766 -0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.56189 -2.91240 0.22913 3.46618 1.02026 67 3PX -0.83088 2.32807 -0.18316 -2.67694 -0.62498 68 3PY 0.06665 -0.00480 -0.06090 0.00000 -0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.02444 0.01021 -0.00080 0.05907 0.02319 71 4YY 0.00340 0.05445 -0.00428 -0.01645 0.11922 72 4ZZ -0.00132 -0.07483 0.00589 -0.04913 -0.18287 73 4XY -0.00396 -0.00329 -0.04182 -0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00088 -0.01738 0.00200 0.01903 0.00093 77 2S 0.11091 -0.49392 0.06576 0.48435 -0.08669 78 2PX -0.14640 0.15918 0.00566 -0.14512 0.04415 79 2PY 0.03675 -0.04482 0.03794 0.00988 -0.03278 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.50826 2.93300 -0.03843 -3.30270 -0.48153 82 3PX -0.09424 -0.98312 -0.10805 1.16606 0.08949 83 3PY 0.18333 1.40277 -0.19247 -1.74096 -0.44071 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.03428 0.03988 0.03911 0.02037 0.11023 86 4YY 0.00644 -0.00250 -0.03080 0.05042 0.02860 87 4ZZ -0.04044 -0.03681 -0.00578 -0.10369 -0.20752 88 4XY 0.02655 -0.02607 -0.03959 -0.00842 0.02781 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00617 0.02003 -0.00564 -0.02399 -0.00649 92 2S -0.03065 0.23763 0.05033 -0.31654 -0.22105 93 2PX 0.08283 0.02284 -0.02795 -0.02478 0.03046 94 2PY -0.03339 0.00939 0.13430 -0.00768 -0.00736 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -2.07244 -2.40972 0.24391 2.65957 0.54183 97 3PX -1.09273 -0.41906 -0.36235 0.54814 0.01580 98 3PY -2.84356 -0.31932 -0.46339 0.59363 0.18042 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.02707 0.09017 0.04021 -0.02000 0.14430 101 4YY -0.01126 -0.13520 -0.06797 0.15743 -0.03419 102 4ZZ -0.02524 0.00745 0.05023 -0.13030 -0.15861 103 4XY -0.01430 -0.05806 0.08322 0.04813 -0.08872 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S -0.28277 0.17750 -0.08369 -0.14090 0.09805 107 2S -1.91990 0.38478 -0.52212 -0.03179 -0.09412 108 9 H 1S -0.00815 0.08740 -0.04921 -0.18929 -0.06130 109 2S 0.05076 0.33668 -0.02290 -0.47235 -0.13564 110 10 H 1S 0.16242 -0.23978 0.01886 0.21778 0.03903 111 2S 0.25854 -0.58028 0.04565 0.64649 0.12243 112 11 H 1S -0.09309 0.09402 0.03494 -0.18929 -0.06130 113 2S -0.11114 0.33612 -0.03003 -0.47235 -0.13564 114 12 H 1S -0.31511 0.18841 0.05491 -0.14090 0.09805 115 2S -1.57645 0.46168 0.45554 -0.03179 -0.09413 116 13 C 1S -0.01459 0.01835 0.02670 0.01958 0.00020 117 2S -0.17457 0.02096 0.03051 0.14652 0.01175 118 2PX 0.25966 0.03314 -0.08797 0.04723 0.06061 119 2PY 0.29525 0.08940 0.05146 -0.08181 -0.10497 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 2.15462 -1.14040 -1.65947 -1.99129 -0.47256 122 3PX -4.92342 -0.06324 0.14433 0.16303 -0.07313 123 3PY -6.67706 -0.14522 -0.07476 -0.28237 0.12665 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX 0.09902 0.07574 -0.18249 -0.03026 0.12557 126 4YY -0.09590 -0.01320 0.27349 0.12495 -0.10114 127 4ZZ 0.00857 -0.07424 -0.10803 -0.17244 -0.07813 128 4XY -0.08580 -0.27539 -0.20560 -0.15521 0.22672 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S -0.03307 -0.01490 -0.01452 -0.02399 -0.00649 132 2S -0.08797 -0.07523 -0.23096 -0.31654 -0.22105 133 2PX 0.11886 -0.07885 0.06810 0.01904 -0.00886 134 2PY -0.18326 -0.08666 0.03261 -0.01762 0.03006 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 4.75462 1.41609 1.96493 2.65957 0.54183 137 3PX -2.77055 0.26141 -0.71219 -0.78817 -0.16414 138 3PY -2.83399 0.03052 0.21708 0.17789 -0.07653 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.01222 0.07982 0.09526 0.14917 -0.05611 141 4YY -0.03578 -0.08134 -0.04238 -0.01174 0.16622 142 4ZZ 0.05583 0.03977 -0.03157 -0.13030 -0.15861 143 4XY -0.03094 -0.04105 0.12030 0.06465 -0.04489 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.01313 0.01042 0.01405 0.01903 0.00093 147 2S 0.26260 0.30391 0.39487 0.48435 -0.08669 148 2PX -0.07294 -0.01052 0.05316 0.06400 0.00631 149 2PY 0.00873 -0.09232 -0.13176 -0.13062 0.05463 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.74071 -1.49977 -2.52084 -3.30270 -0.48153 152 3PX 1.43437 0.55278 0.51601 0.92469 0.33692 153 3PY 0.96336 0.77870 1.34342 1.88032 0.29785 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX -0.01630 -0.03153 0.03143 0.03659 0.06986 156 4YY -0.00149 0.02003 -0.06796 0.03420 0.06897 157 4ZZ 0.01217 0.01340 0.03477 -0.10369 -0.20752 158 4XY 0.01555 -0.00905 0.01464 0.01923 -0.05472 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00365 -0.01366 -0.01988 -0.03173 -0.01344 162 2S 0.10154 -0.26932 -0.39189 -0.56339 -0.24732 163 2PX 0.16220 -0.00415 -0.04845 -0.05250 -0.02547 164 2PY 0.06080 0.05291 0.05250 0.09094 0.04412 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.20755 1.65463 2.40765 3.46618 1.02026 167 3PX 0.20689 0.70492 0.93233 1.33847 0.31249 168 3PY 0.47384 -1.12028 -1.68404 -2.31830 -0.54125 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.01985 -0.05058 -0.01805 0.00243 0.09522 171 4YY -0.01208 0.01385 -0.03540 0.04019 0.04720 172 4ZZ 0.00049 0.04252 0.06186 -0.04913 -0.18287 173 4XY -0.01750 0.00472 -0.03017 -0.03776 0.04802 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.01547 0.00938 0.01476 0.01903 0.00093 177 2S -0.38273 0.25971 0.42525 0.48435 -0.08669 178 2PX -0.11502 0.05118 0.11092 0.08112 -0.05046 179 2PY 0.00911 -0.09120 -0.07470 -0.12073 0.02184 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.43472 -1.81582 -2.30365 -3.30269 -0.48154 182 3PX 1.58493 -0.98625 -1.39709 -2.09075 -0.42641 183 3PY 0.84829 0.24192 -0.00286 0.13935 -0.14285 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.00217 -0.03012 -0.01118 0.04922 0.02815 186 4YY -0.00978 0.00014 -0.01264 0.02157 0.11068 187 4ZZ 0.01806 0.02766 0.02497 -0.10369 -0.20752 188 4XY 0.00009 0.06409 -0.00785 0.01081 -0.02691 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.03239 -0.00822 -0.01911 -0.02399 -0.00649 192 2S 0.12311 -0.18865 -0.15301 -0.31654 -0.22105 193 2PX -0.05654 -0.09918 0.08454 0.00574 -0.02160 194 2PY 0.17582 -0.04878 0.00800 -0.02530 0.02270 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -3.72522 1.32687 2.02632 2.65958 0.54183 197 3PX -2.81779 0.21329 -0.08640 0.24004 0.14833 198 3PY 0.75368 0.75283 0.06285 0.77152 0.10389 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.04578 0.10253 -0.03758 0.07698 0.07697 201 4YY -0.03168 -0.05263 0.05512 0.06045 0.03314 202 4ZZ -0.04304 -0.04372 0.02582 -0.13030 -0.15861 203 4XY 0.01106 0.09888 0.10229 0.11278 -0.13361 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.21139 -0.04665 -0.19062 -0.14090 0.09805 207 2S -0.42625 0.16367 -0.62760 -0.03179 -0.09413 208 20 H 1S 0.28384 -0.01675 -0.09889 -0.18929 -0.06130 209 2S 0.51650 -0.19407 -0.27608 -0.47235 -0.13564 210 21 H 1S -0.06000 0.13622 0.19822 0.21778 0.03903 211 2S -0.09550 0.32968 0.47971 0.64649 0.12243 212 22 H 1S -0.24644 -0.08632 -0.05108 -0.18929 -0.06130 213 2S -0.49420 -0.18817 -0.28012 -0.47235 -0.13564 214 23 H 1S 0.00947 -0.16123 -0.11188 -0.14090 0.09805 215 2S 1.71781 -0.64456 -0.07217 -0.03179 -0.09412 216 24 C 1S -0.02491 0.01395 -0.02924 0.01958 0.00020 217 2S -0.29800 0.01594 -0.03341 0.14652 0.01175 218 2PX 0.16349 0.04649 0.08170 0.04723 0.06060 219 2PY -0.34249 -0.08026 0.06481 0.08181 0.10497 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S 3.67806 -0.86695 1.81735 -1.99129 -0.47256 222 3PX -2.69482 -0.08512 -0.13259 0.16302 -0.07312 223 3PY 8.10160 0.13169 -0.09664 0.28237 -0.12666 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.07774 0.10334 0.16840 -0.03026 0.12557 226 4YY -0.07242 -0.05580 -0.26806 0.12495 -0.10114 227 4ZZ 0.01463 -0.05643 0.11831 -0.17244 -0.07813 228 4XY 0.08559 0.23986 -0.24613 0.15521 -0.22672 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.02690 -0.00513 0.02016 -0.02399 -0.00649 232 2S 0.11863 -0.16240 0.18063 -0.31654 -0.22105 233 2PX -0.02895 -0.11118 -0.06799 0.00574 -0.02160 234 2PY -0.13953 0.04943 0.00028 0.02530 -0.02270 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -2.68218 0.99363 -2.20883 2.65957 0.54183 237 3PX -1.92335 0.22415 0.05203 0.24003 0.14835 238 3PY -1.38573 -0.73371 0.17981 -0.77152 -0.10389 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.03793 0.10715 0.02109 0.07697 0.07697 241 4YY -0.03019 -0.06060 -0.04621 0.06045 0.03313 242 4ZZ -0.03060 -0.04722 -0.01866 -0.13030 -0.15861 243 4XY -0.01778 -0.08167 0.11649 -0.11278 0.13361 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S -0.01401 0.00696 -0.01605 0.01903 0.00093 247 2S -0.37351 0.19001 -0.46063 0.48435 -0.08669 248 2PX -0.13394 0.03320 -0.11756 0.08112 -0.05046 249 2PY -0.04088 0.07840 -0.08804 0.12073 -0.02184 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.23245 -1.43322 2.55926 -3.30270 -0.48153 252 3PX 1.34559 -0.75563 1.53411 -2.09075 -0.42641 253 3PY -0.75047 -0.23939 0.03502 -0.13936 0.14286 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00004 -0.02800 0.01576 0.04922 0.02815 256 4YY -0.02298 0.00211 0.01246 0.02157 0.11068 257 4ZZ 0.02827 0.02342 -0.02899 -0.10369 -0.20752 258 4XY -0.00027 -0.06453 0.00226 -0.01081 0.02691 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00624 -0.01038 0.02177 -0.03173 -0.01344 262 2S 0.17335 -0.20472 0.42918 -0.56339 -0.24732 263 2PX 0.14855 0.00348 0.04850 -0.05250 -0.02547 264 2PY -0.02969 -0.04405 0.06012 -0.09094 -0.04412 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.35434 1.25777 -2.63677 3.46618 1.02026 267 3PX 0.04064 0.55046 -1.03110 1.33847 0.31249 268 3PY -0.62848 0.84315 -1.83851 2.31830 0.54125 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX 0.01781 -0.04714 0.02573 0.00243 0.09521 271 4YY -0.00455 0.01922 0.03280 0.04019 0.04720 272 4ZZ 0.00083 0.03232 -0.06775 -0.04913 -0.18287 273 4XY 0.01916 -0.00938 -0.02906 0.03776 -0.04802 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.01001 0.00809 -0.01551 0.01903 0.00093 277 2S 0.16845 0.23842 -0.43754 0.48435 -0.08669 278 2PX -0.07136 -0.01870 -0.05086 0.06400 0.00631 279 2PY -0.05629 0.07058 -0.14458 0.13062 -0.05463 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.75470 -1.08711 2.72437 -3.30269 -0.48154 282 3PX 1.16439 0.46530 -0.59613 0.92469 0.33692 283 3PY -0.81549 -0.55904 1.44868 -1.88032 -0.29786 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.02414 -0.03605 -0.02611 0.03659 0.06986 286 4YY -0.00369 0.03041 0.06399 0.03420 0.06897 287 4ZZ 0.02332 0.00779 -0.03644 -0.10369 -0.20752 288 4XY -0.02147 0.01123 0.01305 -0.01923 0.05472 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.02807 -0.01244 0.01667 -0.02399 -0.00649 292 2S -0.05865 -0.03819 0.23988 -0.31654 -0.22105 293 2PX 0.09760 -0.08853 -0.05493 0.01904 -0.00886 294 2PY 0.17402 0.09069 0.01865 0.01762 -0.03006 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S 4.43936 1.09141 -2.16226 2.65958 0.54183 297 3PX -3.20022 0.36958 0.66259 -0.78817 -0.16414 298 3PY 2.38736 0.00383 0.21914 -0.17788 0.07651 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.01382 0.06394 -0.10657 0.14917 -0.05611 301 4YY -0.03770 -0.07371 0.05458 -0.01174 0.16622 302 4ZZ 0.05244 0.04422 0.02496 -0.13030 -0.15861 303 4XY 0.02020 0.05936 0.11240 -0.06465 0.04489 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.10372 -0.14176 0.13571 -0.14090 0.09805 307 2S 2.00271 -0.62535 0.17206 -0.03179 -0.09413 308 31 H 1S -0.19075 -0.07727 0.06395 -0.18929 -0.06130 309 2S -0.40536 -0.14205 0.30611 -0.47235 -0.13564 310 32 H 1S -0.10242 0.10355 -0.21708 0.21778 0.03903 311 2S -0.16304 0.25060 -0.52536 0.64649 0.12243 312 33 H 1S 0.25459 -0.00108 0.10029 -0.18929 -0.06130 313 2S 0.44344 -0.14851 0.30302 -0.47235 -0.13564 314 34 H 1S 0.27330 -0.01627 0.19557 -0.14090 0.09805 315 2S 0.20208 0.25978 0.59429 -0.03179 -0.09412 221 222 223 224 225 (E')--V (E')--V (A')--V (E')--V (E')--V Eigenvalues -- 1.66758 1.66758 1.70898 1.70914 1.70914 1 1 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 2 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 3 2PX -0.04795 0.05855 -0.00000 0.02836 -0.05764 4 2PY 0.05855 0.04795 0.00000 -0.05764 -0.02836 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 7 3PX 0.01992 -0.02434 0.00000 -1.87275 3.80635 8 3PY -0.02434 -0.01992 -0.00000 3.80635 1.87275 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.02176 0.02656 -0.00000 0.05725 -0.11635 11 4YY 0.02176 -0.02656 -0.00000 -0.05725 0.11635 12 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 13 4XY -0.03067 -0.02512 -0.00000 0.13436 0.06610 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00169 -0.00206 0.00000 0.00260 -0.00528 17 2S 0.23974 -0.29270 0.00000 -0.02140 0.04349 18 2PX 0.05509 -0.06725 -0.00000 0.11337 -0.23043 19 2PY -0.03384 -0.02772 -0.22164 -0.10443 -0.05138 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S -0.49106 0.59953 -0.00001 -0.26574 0.54011 22 3PX -0.05989 0.07310 -0.00001 -2.18950 4.45016 23 3PY -0.28786 -0.23579 -0.07812 -1.94344 -0.95618 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX 0.05601 -0.06838 -0.00000 0.04921 -0.10001 26 4YY -0.17630 0.21525 0.00000 -0.00818 0.01662 27 4ZZ 0.16917 -0.20654 -0.00000 -0.05464 0.11107 28 4XY 0.08811 0.07217 0.20454 0.05511 0.02712 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.01288 -0.01166 0.01074 -0.01382 0.02028 32 2S 0.25053 -0.28858 0.09473 0.01656 0.41831 33 2PX 0.07387 0.03421 0.21860 0.10616 0.02629 34 2PY 0.09279 0.03178 0.08288 -0.00969 0.00069 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -1.36427 1.10670 -1.14471 1.88134 -2.76800 37 3PX -0.78636 0.25877 -0.93309 -0.55328 -1.08045 38 3PY -0.81699 -0.12032 -0.67344 -1.68671 1.42131 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX -0.13789 0.07851 -0.10504 -0.09756 -0.08659 41 4YY -0.01838 0.04870 0.07596 0.10996 -0.04826 42 4ZZ 0.17687 -0.18820 0.01280 0.01029 0.13077 43 4XY -0.02372 0.17352 0.20502 0.18533 0.15443 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00552 0.00284 -0.00658 0.00652 -0.00913 47 2S -0.01139 -0.00129 -0.11905 0.04191 -0.21121 48 2PX -0.05929 -0.01905 -0.10552 -0.06166 -0.07644 49 2PY 0.01635 0.00645 0.06634 0.05755 0.00177 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 1.45547 -1.23157 0.89895 -0.91802 2.46671 52 3PX -0.46067 0.31589 -0.46073 0.01127 -0.77795 53 3PY -0.36539 0.58315 -0.20005 0.86419 -1.35617 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX -0.10107 0.07444 -0.11585 -0.17494 -0.10856 56 4YY -0.01119 0.02619 0.05200 0.13985 0.00243 57 4ZZ 0.17304 -0.17949 0.05278 -0.01076 0.14458 58 4XY 0.04489 -0.14666 -0.16016 -0.17637 -0.15288 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.01418 -0.01731 -0.00000 -0.01118 0.02273 62 2S 0.35770 -0.43671 -0.00000 -0.13808 0.28065 63 2PX -0.08254 0.10077 -0.00000 0.01511 -0.03071 64 2PY -0.03490 -0.02858 -0.16408 -0.17519 -0.08620 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -1.26453 1.54387 0.00001 1.28484 -2.61144 67 3PX 0.94987 -1.15970 -0.00001 -0.74619 1.51663 68 3PY 0.09532 0.07808 0.31882 0.56125 0.27614 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX 0.03705 -0.04523 -0.00000 0.05223 -0.10616 71 4YY -0.11862 0.14482 0.00000 -0.00368 0.00747 72 4ZZ 0.12982 -0.15849 0.00000 -0.04269 0.08676 73 4XY -0.04112 -0.03368 -0.16881 -0.25340 -0.12468 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00170 0.00597 0.00658 0.00325 -0.01073 77 2S 0.00351 0.01091 0.11906 0.14175 -0.16208 78 2PX 0.03035 0.05438 0.10552 0.09818 0.00220 79 2PY 0.00954 0.01476 0.06634 0.03652 0.04451 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.92074 -1.66955 -0.89897 -1.39402 2.23251 82 3PX -0.21895 0.51387 0.46074 0.60944 -0.48364 83 3PY 0.49974 -0.47310 -0.20007 -0.54706 1.51220 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX -0.05307 0.11375 0.11585 0.19276 0.07234 86 4YY -0.02347 0.01612 -0.05200 -0.08727 -0.10931 87 4ZZ 0.14189 -0.20501 -0.05278 -0.10797 0.09675 88 4XY -0.13494 0.07290 -0.16016 -0.22874 -0.04644 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00890 -0.01492 -0.01074 -0.00764 0.02333 92 2S 0.23358 -0.30246 -0.09473 -0.34151 0.24214 93 2PX -0.04809 -0.06569 -0.21860 -0.08561 -0.06806 94 2PY 0.04943 0.08471 0.08288 -0.00537 -0.00810 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.81628 1.55553 1.14473 1.04487 -3.17954 97 3PX -0.09880 0.82193 0.93309 1.19359 -0.22098 98 3PY -0.27888 -0.77729 -0.67343 0.09675 -2.20358 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX -0.04981 0.15065 0.10504 0.12813 0.02445 101 4YY -0.04412 0.02762 -0.07596 -0.02886 -0.11656 102 4ZZ 0.14967 -0.21048 -0.01279 -0.10988 0.07164 103 4XY 0.16545 -0.05743 0.20501 0.23543 0.05259 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S -0.08889 0.09419 -0.02827 0.03307 -0.07131 107 2S 0.19157 -1.56439 -1.07742 -0.06465 -0.75317 108 9 H 1S -0.03691 -0.00878 -0.12215 -0.16358 0.14940 109 2S 0.14549 -0.08060 -0.02088 -0.13050 0.37156 110 10 H 1S -0.12357 0.15086 0.00000 0.00231 -0.00470 111 2S -0.19819 0.24198 0.00000 0.16373 -0.33279 112 11 H 1S 0.01588 0.03446 0.12215 -0.01854 0.22076 113 2S 0.05036 -0.15852 0.02087 -0.21473 0.33012 114 12 H 1S -0.07484 0.10570 0.02827 0.03632 -0.06971 115 2S 1.49600 -0.49596 1.07743 0.63614 -0.40837 116 13 C 1S -0.00263 -0.00043 0.00000 -0.00587 0.00039 117 2S -0.37335 -0.06127 0.00000 0.04836 -0.00321 118 2PX 0.04903 -0.03034 0.19195 0.12144 -0.10908 119 2PY -0.07075 -0.03377 0.11082 -0.22577 -0.04331 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 0.76474 0.12550 -0.00001 0.60062 -0.03992 122 3PX 0.00557 -0.32565 0.06766 -2.59875 -1.70716 123 3PY 0.11089 -0.17033 0.03906 4.21388 -1.36543 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX 0.19795 -0.05408 0.15340 -0.01700 -0.04504 126 4YY -0.01061 0.08482 -0.15340 -0.07574 0.05120 127 4ZZ -0.26345 -0.04324 -0.00000 0.12351 -0.00821 128 4XY 0.17167 0.08588 -0.10227 0.06688 0.02633 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S -0.01737 -0.00024 -0.01074 0.02402 -0.00505 132 2S -0.37873 -0.05105 -0.09473 0.38045 0.17468 133 2PX -0.02570 0.03651 0.03752 0.01182 -0.06162 134 2PY -0.05276 0.10709 -0.23075 -0.01181 0.08933 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 1.75527 -0.07085 1.14473 -3.27600 0.68488 137 3PX 0.08160 -0.38303 0.11666 2.08867 -0.42002 138 3PY 0.92609 -0.59688 1.14479 0.29579 -1.30851 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX -0.02602 -0.07567 0.12305 -0.12974 -0.14098 141 4YY 0.22737 0.06788 -0.09397 0.00033 0.10107 142 4ZZ -0.25711 -0.02438 -0.01279 0.11699 0.05934 143 4XY 0.01153 0.08558 -0.19301 0.01427 0.21833 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00602 -0.00151 0.00658 -0.01092 0.00255 147 2S 0.00769 -0.00849 0.11906 -0.21125 -0.04172 148 2PX -0.02289 0.04029 -0.11021 0.00602 0.08973 149 2PY 0.02364 -0.03849 0.05821 -0.05100 -0.04765 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -1.90624 0.03739 -0.89897 2.63042 0.09100 152 3PX 0.29397 0.20361 -0.05711 -1.00925 0.38749 153 3PY 0.81001 0.03982 0.49904 -1.41820 -0.10649 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.14849 0.06678 -0.13016 0.00891 0.21288 156 4YY 0.00225 -0.06543 0.19401 -0.09367 -0.28576 157 4ZZ -0.24848 -0.02037 -0.05278 0.13777 0.04513 158 4XY -0.11498 -0.02862 -0.00384 -0.04573 0.05601 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.02208 -0.00362 -0.00000 0.02528 -0.00168 162 2S -0.55705 -0.09142 -0.00000 0.31209 -0.02074 163 2PX -0.05794 -0.04910 0.14210 0.00586 -0.16986 164 2PY 0.11497 -0.00399 0.08204 -0.03605 -0.09544 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 1.96929 0.32318 0.00001 -2.90399 0.19302 167 3PX 0.72235 0.22668 -0.27611 -0.80734 0.59656 168 3PY -1.29106 -0.14945 -0.15942 1.48132 0.21498 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.11767 0.05971 -0.12660 -0.00923 0.21289 171 4YY 0.00936 -0.03886 0.12660 -0.10051 -0.20559 172 4ZZ -0.20217 -0.03318 0.00000 0.09648 -0.00641 173 4XY 0.12552 -0.00633 0.08440 0.05382 -0.14509 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00522 0.00336 -0.00658 -0.01116 -0.00108 177 2S 0.00458 0.01051 -0.11905 -0.20387 0.06931 178 2PX -0.00433 -0.01538 -0.00470 0.04128 -0.00188 179 2PY 0.01268 0.06141 -0.12455 -0.01701 0.10470 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -1.79430 -0.64469 0.89895 2.59524 -0.43833 182 3PX -0.84753 -0.14204 0.40362 1.73101 -0.12871 183 3PY 0.09253 0.19629 -0.29898 0.21495 0.36358 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.06214 0.03586 -0.11009 -0.08566 0.13158 186 4YY 0.20541 0.01104 0.04623 0.01129 -0.04813 187 4ZZ -0.24196 -0.06011 0.05278 0.13059 -0.06297 188 4XY 0.03137 -0.04408 0.16400 -0.00853 -0.27865 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S -0.01654 -0.00532 0.01074 0.02448 0.00183 192 2S -0.37518 -0.07267 0.09473 0.35399 -0.22350 193 2PX 0.02000 0.12389 -0.18108 0.01044 0.04557 194 2PY 0.00310 -0.02209 0.14787 -0.02897 -0.09503 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 1.64057 0.62814 -1.14471 -3.33783 -0.24529 197 3PX -0.57217 -0.94066 1.04976 -1.46682 -1.15928 198 3PY 0.38243 0.09387 -0.47136 -1.60789 0.50777 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.19435 -0.03594 0.18447 -0.04833 -0.19966 201 4YY -0.00605 0.10768 -0.21355 -0.07466 0.25635 202 4ZZ -0.25142 -0.05907 0.01280 0.10810 -0.07430 203 4XY -0.12385 -0.01118 -0.01201 -0.05582 0.01942 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.12896 0.01196 0.02827 -0.07853 0.00340 207 2S -1.17752 -1.04760 1.07743 -0.67173 -0.34673 208 20 H 1S 0.02190 -0.03098 0.12215 0.20045 -0.09432 209 2S -0.16246 0.03565 0.02087 0.39326 0.02090 210 21 H 1S 0.19244 0.03158 0.00000 -0.00522 0.00035 211 2S 0.30865 0.05065 0.00000 -0.37007 0.02460 212 22 H 1S 0.01085 0.03636 -0.12215 0.21117 0.06696 213 2S -0.14255 -0.08570 -0.02088 0.38703 -0.07277 214 23 H 1S 0.12602 0.02989 -0.02827 -0.07829 0.00702 215 2S -1.45059 0.61629 -1.07742 -0.61994 0.43258 216 24 C 1S 0.00094 0.00250 0.00000 0.00327 0.00489 217 2S 0.13361 0.35397 0.00000 -0.02696 -0.04027 218 2PX 0.02009 -0.05404 -0.19195 0.01232 -0.16277 219 2PY -0.04705 -0.06271 0.11082 -0.17209 -0.15244 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.27368 -0.72503 -0.00001 -0.33488 -0.50019 222 3PX 0.31817 -0.06959 -0.06765 2.93827 1.01708 223 3PY -0.14517 0.14227 0.03907 1.48964 4.17159 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.01403 -0.20472 -0.15340 0.04606 -0.01402 226 4YY -0.08107 0.02711 0.15340 0.00565 0.09125 227 4ZZ 0.09428 0.24977 -0.00000 -0.06886 -0.10286 228 4XY 0.11801 0.15139 -0.10227 0.06168 0.03692 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.00847 0.01517 -0.01074 -0.01638 -0.01828 232 2S 0.14515 0.35351 -0.09473 -0.03895 -0.41682 233 2PX -0.12540 0.00480 0.18108 -0.04248 0.01953 234 2PY -0.02105 0.00739 0.14787 -0.09297 0.03504 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -0.93899 -1.48469 1.14473 2.23113 2.49466 237 3PX 1.03493 0.37568 -1.04975 1.81350 0.45466 238 3PY 0.16737 0.35645 -0.47137 -0.57889 -1.58367 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX -0.00304 -0.19763 -0.18447 0.18767 -0.08355 241 4YY -0.10438 0.02714 0.21355 -0.15753 0.21557 242 4ZZ 0.10744 0.23486 -0.01279 -0.00710 -0.13098 243 4XY -0.03536 -0.11922 -0.01201 -0.01868 -0.05607 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S -0.00432 -0.00446 0.00658 0.00767 0.00819 247 2S -0.01120 -0.00242 0.11906 0.06949 0.20381 248 2PX 0.01593 0.00122 0.00470 -0.02370 -0.03385 249 2PY 0.06270 0.00034 -0.12455 0.07257 -0.07737 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.98550 1.63216 -0.89897 -1.23640 -2.32351 252 3PX 0.30620 0.80294 -0.40363 -0.95433 -1.44990 253 3PY 0.21067 0.05206 -0.29898 0.41920 -0.05157 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX -0.02292 0.06799 0.11008 -0.05197 0.14816 256 4YY -0.05129 -0.19921 -0.04623 0.03124 -0.03831 257 4ZZ 0.10660 0.22538 -0.05278 -0.02980 -0.14188 258 4XY -0.03704 0.03943 0.16400 -0.22596 0.16328 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00790 0.02093 -0.00000 -0.01409 -0.02105 262 2S 0.19935 0.52813 -0.00000 -0.17401 -0.25991 263 2PX 0.05955 0.04713 -0.14210 0.13099 -0.10829 264 2PY 0.01873 0.11350 0.08204 -0.09762 0.02968 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.70476 -1.86705 0.00001 1.61915 2.41842 267 3PX -0.36453 -0.66355 0.27611 0.02004 1.00363 268 3PY -0.40083 -1.23632 -0.15941 1.07425 1.04237 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX -0.08171 -0.10360 0.12660 -0.16302 0.13722 271 4YY 0.03625 -0.01684 -0.12661 0.22421 -0.04583 272 4ZZ 0.07235 0.19167 0.00000 -0.05379 -0.08035 273 4XY 0.01852 0.12431 0.08440 -0.08211 0.13117 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00030 -0.00620 -0.00658 0.00465 0.01021 277 2S 0.00681 -0.00922 -0.11905 0.16196 0.14190 278 2PX -0.03499 0.03038 0.11021 -0.07476 0.04998 279 2PY -0.03308 0.03075 0.05821 -0.06887 -0.01133 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.33883 1.87626 0.89895 -1.67723 -2.02838 282 3PX -0.25753 -0.24810 0.05711 0.30888 1.03602 283 3PY 0.19860 0.78629 0.49903 -0.94978 -1.05856 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.09472 -0.13243 0.13016 -0.17409 0.12285 286 4YY 0.06370 -0.01510 -0.19401 0.28354 -0.10017 287 4ZZ 0.06892 0.23960 0.05278 -0.11983 -0.08161 288 4XY -0.05070 -0.10709 -0.00384 0.01647 -0.07041 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00366 0.01698 0.01074 -0.01066 -0.02211 292 2S 0.12465 0.36125 0.09473 -0.37055 -0.19481 293 2PX -0.03073 0.03239 -0.03752 0.04161 -0.04696 294 2PY 0.09460 -0.07283 -0.23075 0.06356 -0.06387 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -0.27630 -1.73484 -1.14471 1.45649 3.01329 297 3PX 0.35947 -0.15545 -0.11667 -0.94179 -1.91102 298 3PY -0.40277 1.02551 1.14480 -0.85615 1.03281 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.07931 0.01060 -0.12305 0.19086 0.01676 301 4YY -0.11134 -0.20954 0.09397 -0.08027 0.06141 302 4ZZ 0.07455 0.24727 0.01280 -0.11840 -0.05647 303 4XY 0.08617 -0.00555 -0.19301 0.18168 -0.12192 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.05412 -0.11766 0.02827 0.04221 0.06631 307 2S -0.31849 1.54356 1.07743 0.03559 0.75510 308 31 H 1S -0.03778 -0.00348 0.12215 -0.18191 -0.12644 309 2S 0.11210 0.12287 0.02087 -0.17853 -0.35102 310 32 H 1S -0.06887 -0.18244 0.00000 0.00291 0.00435 311 2S -0.11046 -0.29263 0.00000 0.20634 0.30819 312 33 H 1S 0.02606 -0.02758 -0.12215 -0.04760 -0.21636 313 2S -0.00295 0.16630 -0.02088 -0.25653 -0.29879 314 34 H 1S -0.03713 -0.12408 -0.02827 0.04522 0.06429 315 2S 1.25901 0.94810 -1.07742 0.68459 0.32059 226 227 228 229 230 (E")--V (E")--V (A')--V (E')--V (E')--V Eigenvalues -- 1.72674 1.72674 1.74305 1.78316 1.78316 1 1 C 1S 0.00000 0.00000 0.00901 0.00000 -0.00000 2 2S 0.00000 0.00000 0.38953 0.00000 -0.00000 3 2PX 0.00000 0.00000 -0.00000 -0.00071 0.07319 4 2PY 0.00000 0.00000 -0.00000 0.07319 0.00071 5 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 -0.58055 -0.00000 -0.00000 7 3PX 0.00000 0.00000 0.00000 -0.00371 0.37949 8 3PY 0.00000 0.00000 0.00000 0.37949 0.00371 9 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 10 4XX 0.00000 0.00000 -0.05305 0.00101 -0.10356 11 4YY 0.00000 0.00000 -0.05305 -0.00101 0.10356 12 4ZZ 0.00000 0.00000 0.07232 0.00000 0.00000 13 4XY 0.00000 0.00000 -0.00000 0.11958 0.00117 14 4XZ 0.00007 0.71318 0.00000 0.00000 0.00000 15 4YZ 0.71318 -0.00007 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 0.00000 -0.01485 -0.00001 0.00052 17 2S 0.00000 0.00000 -0.02436 -0.00184 0.18909 18 2PX 0.00000 0.00000 0.05192 0.00034 -0.03498 19 2PY 0.00000 0.00000 -0.00000 -0.02409 -0.00024 20 2PZ -0.00000 -0.03335 0.00000 0.00000 0.00000 21 3S 0.00000 0.00000 1.12480 0.00773 -0.79322 22 3PX 0.00000 0.00000 0.36182 -0.00053 0.05289 23 3PY 0.00000 0.00000 -0.00000 -0.69169 -0.00675 24 3PZ -0.00005 -0.53799 0.00000 0.00000 0.00000 25 4XX 0.00000 0.00000 -0.04161 0.00110 -0.11268 26 4YY 0.00000 0.00000 -0.05735 -0.00010 0.01063 27 4ZZ 0.00000 0.00000 0.13208 -0.00070 0.07147 28 4XY 0.00000 0.00000 0.00000 0.00314 0.00003 29 4XZ 0.00000 0.00997 0.00000 0.00000 0.00000 30 4YZ 0.06235 -0.00001 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 0.00000 0.00099 0.00137 -0.02068 32 2S 0.00000 0.00000 0.19978 0.09892 -0.07400 33 2PX 0.00000 0.00000 0.04436 0.07181 0.10600 34 2PY 0.00000 0.00000 -0.02484 0.04760 -0.03736 35 2PZ 0.00584 -0.02641 0.00000 0.00000 0.00000 36 3S 0.00000 0.00000 -0.98411 -0.22895 1.44083 37 3PX 0.00000 0.00000 -0.24447 -0.46864 0.09545 38 3PY 0.00000 0.00000 0.55754 -0.71620 0.08518 39 3PZ -0.03578 0.30554 0.00000 0.00000 0.00000 40 4XX 0.00000 0.00000 0.01095 -0.06055 -0.00419 41 4YY 0.00000 0.00000 0.03161 0.03804 0.05455 42 4ZZ 0.00000 0.00000 -0.05663 0.03218 -0.04281 43 4XY 0.00000 0.00000 -0.12252 0.05824 -0.06350 44 4XZ 0.02569 -0.06869 0.00000 0.00000 0.00000 45 4YZ 0.07854 -0.39446 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 -0.01420 -0.00025 -0.00075 47 2S 0.00000 0.00000 -0.14378 -0.03256 0.18823 48 2PX 0.00000 0.00000 0.10791 -0.06794 0.12303 49 2PY 0.00000 0.00000 0.03482 0.05524 -0.03177 50 2PZ -0.01070 0.03906 0.00000 0.00000 0.00000 51 3S 0.00000 0.00000 1.09522 0.34927 -1.44320 52 3PX 0.00000 0.00000 -0.35441 -0.09000 0.26576 53 3PY 0.00000 0.00000 -0.38776 0.11325 1.17419 54 3PZ 0.01248 -0.09235 0.00000 0.00000 0.00000 55 4XX 0.00000 0.00000 -0.03129 -0.08609 -0.08724 56 4YY 0.00000 0.00000 0.17027 0.06237 0.28240 57 4ZZ 0.00000 0.00000 -0.12682 0.01735 -0.21330 58 4XY 0.00000 0.00000 0.20538 -0.05967 0.22058 59 4XZ -0.02133 0.14267 0.00000 0.00000 0.00000 60 4YZ -0.01234 -0.02404 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 -0.00349 0.00027 -0.02805 62 2S 0.00000 0.00000 0.12103 0.00353 -0.36173 63 2PX 0.00000 0.00000 0.05118 -0.00174 0.17845 64 2PY 0.00000 0.00000 -0.00000 -0.03643 -0.00036 65 2PZ -0.00000 -0.00371 0.00000 0.00000 0.00000 66 3S 0.00000 0.00000 -0.72031 -0.02376 2.43758 67 3PX 0.00000 0.00000 0.74466 0.01161 -1.19139 68 3PY 0.00000 0.00000 0.00000 0.13738 0.00134 69 3PZ -0.00000 -0.02528 0.00000 0.00000 0.00000 70 4XX 0.00000 0.00000 0.31170 -0.00483 0.49480 71 4YY 0.00000 0.00000 -0.16318 0.00267 -0.27339 72 4ZZ 0.00000 0.00000 -0.14746 0.00196 -0.20097 73 4XY 0.00000 0.00000 -0.00000 -0.12483 -0.00122 74 4XZ 0.00002 0.16736 0.00000 0.00000 0.00000 75 4YZ 0.03242 -0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 -0.01420 0.00026 -0.00074 77 2S 0.00000 0.00000 -0.14378 0.02889 0.18883 78 2PX 0.00000 0.00000 0.10791 0.06553 0.12433 79 2PY 0.00000 0.00000 -0.03482 0.05461 0.03284 80 2PZ 0.01071 0.03906 0.00000 0.00000 0.00000 81 3S 0.00000 0.00000 1.09522 -0.32108 -1.44974 82 3PX 0.00000 0.00000 -0.35441 0.08481 0.26746 83 3PY 0.00000 0.00000 0.38776 0.13611 -1.17175 84 3PZ -0.01250 -0.09235 0.00000 0.00000 0.00000 85 4XX 0.00000 0.00000 -0.03129 0.08777 -0.08554 86 4YY 0.00000 0.00000 0.17027 -0.06787 0.28113 87 4ZZ 0.00000 0.00000 -0.12682 -0.01319 -0.21360 88 4XY 0.00000 0.00000 -0.20539 -0.05536 -0.22170 89 4XZ 0.02136 0.14266 0.00000 0.00000 0.00000 90 4YZ -0.01234 0.02404 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00099 -0.00096 -0.02071 92 2S 0.00000 0.00000 0.19978 -0.09746 -0.07591 93 2PX 0.00000 0.00000 0.04436 -0.07386 0.10458 94 2PY 0.00000 0.00000 0.02484 0.04686 0.03828 95 2PZ -0.00584 -0.02641 0.00000 0.00000 0.00000 96 3S 0.00000 0.00000 -0.98410 0.20082 1.44502 97 3PX 0.00000 0.00000 -0.24446 0.46669 0.10457 98 3PY 0.00000 0.00000 -0.55755 -0.71439 -0.09914 99 3PZ 0.03584 0.30553 0.00000 0.00000 0.00000 100 4XX 0.00000 0.00000 0.01095 0.06062 -0.00301 101 4YY 0.00000 0.00000 0.03161 -0.03910 0.05379 102 4ZZ 0.00000 0.00000 -0.05663 -0.03134 -0.04343 103 4XY 0.00000 0.00000 0.12252 0.05700 0.06462 104 4XZ -0.02571 -0.06869 0.00000 0.00000 0.00000 105 4YZ 0.07861 0.39445 0.00000 0.00000 0.00000 106 8 H 1S 0.00000 0.00000 -0.11226 0.02923 0.00114 107 2S 0.00000 0.00000 -0.15236 -0.79449 -1.13717 108 9 H 1S 0.00000 0.00000 -0.22247 0.01695 -0.43111 109 2S 0.00000 0.00000 0.12866 0.08251 -0.18913 110 10 H 1S 0.00000 0.00000 -0.34397 0.00360 -0.36957 111 2S 0.00000 0.00000 -0.14106 -0.00323 0.33168 112 11 H 1S 0.00000 0.00000 -0.22247 -0.00854 -0.43136 113 2S 0.00000 0.00000 0.12866 -0.07881 -0.19071 114 12 H 1S 0.00000 0.00000 -0.11226 -0.02924 0.00057 115 2S 0.00000 0.00000 -0.15235 0.81652 -1.12146 116 13 C 1S 0.00000 0.00000 -0.01485 0.00045 -0.00026 117 2S 0.00000 0.00000 -0.02436 0.16468 -0.09295 118 2PX 0.00000 0.00000 -0.02596 0.00498 -0.02676 119 2PY 0.00000 0.00000 0.04496 -0.03230 0.00440 120 2PZ -0.02888 0.01668 0.00000 0.00000 0.00000 121 3S 0.00000 0.00000 1.12480 -0.69081 0.38992 122 3PX 0.00000 0.00000 -0.18091 -0.31748 -0.50870 123 3PY 0.00000 0.00000 0.31334 -0.13011 -0.32370 124 3PZ -0.46588 0.26904 0.00000 0.00000 0.00000 125 4XX 0.00000 0.00000 -0.05341 -0.01875 0.00788 126 4YY 0.00000 0.00000 -0.04555 -0.07013 0.04229 127 4ZZ 0.00000 0.00000 0.13208 0.06224 -0.03513 128 4XY 0.00000 0.00000 -0.00787 0.05447 -0.02894 129 4XZ 0.02268 0.04925 0.00000 0.00000 0.00000 130 4YZ 0.02307 0.02268 0.00000 0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00099 -0.01745 0.01119 132 2S 0.00000 0.00000 0.19978 -0.01701 0.12236 133 2PX 0.00000 0.00000 -0.04369 -0.07217 0.04588 134 2PY 0.00000 0.00000 0.02600 0.10555 0.03997 135 2PZ -0.01995 0.01826 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 -0.98410 1.15101 -0.89643 137 3PX 0.00000 0.00000 0.60508 -0.16359 -0.35049 138 3PY 0.00000 0.00000 0.06707 -0.25933 -0.72942 139 3PZ 0.24668 -0.18380 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.11834 0.06197 -0.06878 141 4YY 0.00000 0.00000 -0.07578 -0.02875 0.02475 142 4ZZ 0.00000 0.00000 -0.05663 -0.02194 0.04885 143 4XY 0.00000 0.00000 -0.05093 0.03579 0.06981 144 4XZ -0.23848 0.20145 0.00000 0.00000 0.00000 145 4YZ -0.19153 0.18167 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 -0.01420 -0.00078 0.00014 147 2S 0.00000 0.00000 -0.14378 0.14909 -0.11943 148 2PX 0.00000 0.00000 -0.02380 -0.03844 0.11463 149 2PY 0.00000 0.00000 0.11086 0.06431 -0.07113 150 2PZ 0.02847 -0.02881 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 1.09522 -1.09497 1.00294 152 3PX 0.00000 0.00000 -0.15860 0.84314 -0.30171 153 3PY 0.00000 0.00000 -0.50081 0.70529 -0.41342 154 3PZ -0.07372 0.05700 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 -0.03416 0.05531 0.04944 156 4YY 0.00000 0.00000 0.17314 0.10411 -0.16447 157 4ZZ 0.00000 0.00000 -0.12682 -0.17839 0.11822 158 4XY 0.00000 0.00000 0.20347 0.27984 -0.10367 159 4XZ -0.07981 0.04607 0.00000 0.00000 0.00000 160 4YZ 0.08426 -0.07713 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 -0.00349 -0.02442 0.01379 162 2S 0.00000 0.00000 0.12103 -0.31503 0.17781 163 2PX 0.00000 0.00000 -0.02559 -0.09322 0.01638 164 2PY 0.00000 0.00000 0.04432 0.12564 -0.09183 165 2PZ -0.00321 0.00186 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 -0.72031 2.12289 -1.19821 167 3PX 0.00000 0.00000 -0.37233 0.57727 -0.18920 168 3PY 0.00000 0.00000 0.64489 -0.86480 0.56700 169 3PZ -0.02189 0.01264 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 -0.04446 -0.02482 0.12152 171 4YY 0.00000 0.00000 0.19298 0.21765 -0.23036 172 4ZZ 0.00000 0.00000 -0.14746 -0.17503 0.09879 173 4XY 0.00000 0.00000 -0.23744 -0.36519 0.13444 174 4XZ -0.05842 0.06616 0.00000 0.00000 0.00000 175 4YZ 0.13362 -0.05844 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 -0.01420 -0.00052 0.00059 177 2S 0.00000 0.00000 -0.14378 0.17930 -0.06592 178 2PX 0.00000 0.00000 -0.08411 -0.02251 0.02901 179 2PY 0.00000 0.00000 0.07604 0.14926 0.01366 180 2PZ 0.03918 -0.01026 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 1.09522 -1.42449 0.41912 182 3PX 0.00000 0.00000 0.51302 -0.96918 0.62084 183 3PY 0.00000 0.00000 -0.11305 -0.24184 0.29501 184 3PZ -0.08622 0.03536 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.27392 0.31755 -0.16083 186 4YY 0.00000 0.00000 -0.13494 -0.13668 0.08379 187 4ZZ 0.00000 0.00000 -0.12682 -0.19340 0.09163 188 4XY 0.00000 0.00000 -0.00191 0.01251 -0.12739 189 4XZ -0.05443 0.00677 0.00000 0.00000 0.00000 190 4YZ 0.12356 -0.05713 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00099 -0.01860 0.00916 192 2S 0.00000 0.00000 0.19978 -0.11354 -0.04867 193 2PX 0.00000 0.00000 -0.00067 0.02068 0.07711 194 2PY 0.00000 0.00000 0.05083 0.07648 -0.08849 195 2PZ -0.02579 0.00815 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 -0.98411 1.36227 -0.52214 197 3PX 0.00000 0.00000 -0.36061 -0.53250 -0.67933 198 3PY 0.00000 0.00000 -0.49048 0.05857 0.02132 199 3PZ 0.28249 -0.12178 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 -0.06545 -0.03526 -0.04555 201 4YY 0.00000 0.00000 0.10801 0.09013 0.03986 202 4ZZ 0.00000 0.00000 -0.05663 -0.05316 -0.00647 203 4XY 0.00000 0.00000 0.07159 0.04284 -0.04803 204 4XZ 0.36602 -0.11795 0.00000 0.00000 0.00000 205 4YZ 0.12780 -0.05413 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.00000 -0.11226 0.01512 0.02504 207 2S 0.00000 0.00000 -0.15235 -1.37947 -0.14639 208 20 H 1S 0.00000 0.00000 -0.22247 -0.36930 0.22307 209 2S 0.00000 0.00000 0.12866 -0.12575 0.16361 210 21 H 1S 0.00000 0.00000 -0.34397 -0.32186 0.18166 211 2S 0.00000 0.00000 -0.14106 0.28886 -0.16304 212 22 H 1S 0.00000 0.00000 -0.22247 -0.38182 0.20088 213 2S 0.00000 0.00000 0.12866 -0.20505 0.02311 214 23 H 1S 0.00000 0.00000 -0.11226 -0.01362 -0.02588 215 2S 0.00000 0.00000 -0.15236 -0.58758 1.25663 216 24 C 1S 0.00000 0.00000 -0.01485 -0.00045 -0.00026 217 2S 0.00000 0.00000 -0.02436 -0.16283 -0.09614 218 2PX 0.00000 0.00000 -0.02596 -0.00445 -0.02686 219 2PY 0.00000 0.00000 -0.04496 -0.03221 -0.00503 220 2PZ 0.02888 0.01667 0.00000 0.00000 0.00000 221 3S 0.00000 0.00000 1.12480 0.68309 0.40330 222 3PX 0.00000 0.00000 -0.18091 0.32734 -0.50240 223 3PY 0.00000 0.00000 -0.31334 -0.13641 0.32112 224 3PZ 0.46593 0.26895 0.00000 0.00000 0.00000 225 4XX 0.00000 0.00000 -0.05342 0.01859 0.00824 226 4YY 0.00000 0.00000 -0.04555 0.06929 0.04365 227 4ZZ 0.00000 0.00000 0.13208 -0.06155 -0.03634 228 4XY 0.00000 0.00000 0.00787 0.05389 0.03000 229 4XZ -0.02267 0.04925 0.00000 0.00000 0.00000 230 4YZ 0.02306 -0.02268 0.00000 0.00000 0.00000 231 25 C 1S 0.00000 0.00000 0.00099 0.01841 0.00952 232 2S 0.00000 0.00000 0.19978 0.11447 -0.04644 233 2PX 0.00000 0.00000 -0.00067 -0.02218 0.07669 234 2PY 0.00000 0.00000 -0.05083 0.07474 0.08996 235 2PZ 0.02579 0.00815 0.00000 0.00000 0.00000 236 3S 0.00000 0.00000 -0.98410 -1.35184 -0.54859 237 3PX 0.00000 0.00000 -0.36062 0.54565 -0.66881 238 3PY 0.00000 0.00000 0.49048 0.05898 -0.02019 239 3PZ -0.28252 -0.12173 0.00000 0.00000 0.00000 240 4XX 0.00000 0.00000 -0.06545 0.03614 -0.04485 241 4YY 0.00000 0.00000 0.10801 -0.09089 0.03810 242 4ZZ 0.00000 0.00000 -0.05663 0.05328 -0.00543 243 4XY 0.00000 0.00000 -0.07159 0.04190 0.04885 244 4XZ -0.36604 -0.11788 0.00000 0.00000 0.00000 245 4YZ 0.12781 0.05411 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 -0.01420 0.00051 0.00060 247 2S 0.00000 0.00000 -0.14378 -0.17798 -0.06940 248 2PX 0.00000 0.00000 -0.08411 0.02194 0.02945 249 2PY 0.00000 0.00000 -0.07604 0.14950 -0.01074 250 2PZ -0.03918 -0.01026 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 1.09522 1.41605 0.44681 252 3PX 0.00000 0.00000 0.51302 0.95689 0.63961 253 3PY 0.00000 0.00000 0.11305 -0.23604 -0.29967 254 3PZ 0.08622 0.03535 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.27392 -0.31436 -0.16699 256 4YY 0.00000 0.00000 -0.13494 0.13502 0.08644 257 4ZZ 0.00000 0.00000 -0.12682 0.19157 0.09538 258 4XY 0.00000 0.00000 0.00191 0.01002 0.12760 259 4XZ 0.05443 0.00676 0.00000 0.00000 0.00000 260 4YZ 0.12357 0.05711 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 -0.00349 0.02415 0.01426 262 2S 0.00000 0.00000 0.12103 0.31151 0.18392 263 2PX 0.00000 0.00000 -0.02559 0.09288 0.01820 264 2PY 0.00000 0.00000 -0.04432 0.12383 0.09426 265 2PZ 0.00322 0.00186 0.00000 0.00000 0.00000 266 3S 0.00000 0.00000 -0.72031 -2.09913 -1.23937 267 3PX 0.00000 0.00000 -0.37233 -0.57348 -0.20042 268 3PY 0.00000 0.00000 -0.64490 -0.85359 -0.58375 269 3PZ 0.02190 0.01264 0.00000 0.00000 0.00000 270 4XX 0.00000 0.00000 -0.04446 0.02244 0.12198 271 4YY 0.00000 0.00000 0.19298 -0.21311 -0.23456 272 4ZZ 0.00000 0.00000 -0.14746 0.17307 0.10218 273 4XY 0.00000 0.00000 0.23744 -0.36250 -0.14154 274 4XZ 0.05844 0.06615 0.00000 0.00000 0.00000 275 4YZ 0.13363 0.05842 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 -0.01420 0.00077 0.00016 277 2S 0.00000 0.00000 -0.14378 -0.14673 -0.12232 278 2PX 0.00000 0.00000 -0.02380 0.03620 0.11536 279 2PY 0.00000 0.00000 -0.11086 0.06291 0.07237 280 2PZ -0.02848 -0.02880 0.00000 0.00000 0.00000 281 3S 0.00000 0.00000 1.09522 1.07522 1.02408 282 3PX 0.00000 0.00000 -0.15860 -0.83710 -0.31809 283 3PY 0.00000 0.00000 0.50081 0.69710 0.42709 284 3PZ 0.07373 0.05698 0.00000 0.00000 0.00000 285 4XX 0.00000 0.00000 -0.03416 -0.05626 0.04835 286 4YY 0.00000 0.00000 0.17313 -0.10089 -0.16647 287 4ZZ 0.00000 0.00000 -0.12682 0.17605 0.12167 288 4XY 0.00000 0.00000 -0.20347 0.27777 0.10911 289 4XZ 0.07981 0.04605 0.00000 0.00000 0.00000 290 4YZ 0.08427 0.07711 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00099 0.01723 0.01152 292 2S 0.00000 0.00000 0.19978 0.01462 0.12266 293 2PX 0.00000 0.00000 -0.04369 0.07126 0.04728 294 2PY 0.00000 0.00000 -0.02600 0.10631 -0.03791 295 2PZ 0.01995 0.01826 0.00000 0.00000 0.00000 296 3S 0.00000 0.00000 -0.98411 -1.13333 -0.91869 297 3PX 0.00000 0.00000 0.60508 0.17040 -0.34725 298 3PY 0.00000 0.00000 -0.06706 -0.27351 0.72423 299 3PZ -0.24671 -0.18376 0.00000 0.00000 0.00000 300 4XX 0.00000 0.00000 0.11834 -0.06062 -0.06998 301 4YY 0.00000 0.00000 -0.07577 0.02826 0.02531 302 4ZZ 0.00000 0.00000 -0.05663 0.02098 0.04927 303 4XY 0.00000 0.00000 0.05093 0.03714 -0.06910 304 4XZ 0.23852 0.20141 0.00000 0.00000 0.00000 305 4YZ -0.19157 -0.18164 0.00000 0.00000 0.00000 306 30 H 1S 0.00000 0.00000 -0.11226 0.01413 -0.02561 307 2S 0.00000 0.00000 -0.15235 0.56296 1.26786 308 31 H 1S 0.00000 0.00000 -0.22247 0.37783 0.20829 309 2S 0.00000 0.00000 0.12866 0.20456 0.02710 310 32 H 1S 0.00000 0.00000 -0.34397 0.31826 0.18791 311 2S 0.00000 0.00000 -0.14106 -0.28562 -0.16864 312 33 H 1S 0.00000 0.00000 -0.22247 0.36488 0.23023 313 2S 0.00000 0.00000 0.12866 0.12254 0.16603 314 34 H 1S 0.00000 0.00000 -0.11226 -0.01560 0.02474 315 2S 0.00000 0.00000 -0.15236 1.38206 -0.11946 231 232 233 234 235 (A')--V (E')--V (E')--V (A')--V (E')--V Eigenvalues -- 1.80283 1.85218 1.85218 1.87182 1.88170 1 1 C 1S -0.00376 -0.00000 0.00000 0.00000 0.00000 2 2S 0.00788 -0.00000 -0.00000 0.00000 0.00000 3 2PX -0.00000 -0.13381 0.00249 0.00000 0.00586 4 2PY -0.00000 0.00249 0.13381 -0.00000 -0.00023 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 3.02569 -0.00000 -0.00000 -0.00000 -0.00000 7 3PX 0.00000 -0.82143 0.01530 -0.00000 3.84716 8 3PY 0.00000 0.01530 0.82143 0.00000 -0.14794 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.07606 -0.10214 0.00190 -0.00000 0.09148 11 4YY 0.07606 0.10214 -0.00190 -0.00000 -0.09148 12 4ZZ -0.25181 0.00000 0.00000 0.00000 -0.00000 13 4XY -0.00000 -0.00220 -0.11795 -0.00000 0.00406 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.03893 0.03392 -0.00063 0.00000 -0.02460 17 2S -0.67752 0.49478 -0.00921 0.00000 -0.55649 18 2PX -0.09698 0.18817 -0.00350 -0.00000 -0.36181 19 2PY -0.00000 0.00089 0.04785 -0.15385 0.00279 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S 4.79469 -4.44302 0.08272 0.00000 3.25257 22 3PX 3.40409 -4.26036 0.07932 -0.00000 7.02172 23 3PY 0.00000 0.01127 0.60515 0.75467 0.02280 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX 0.15723 -0.10014 0.00186 -0.00000 0.10407 26 4YY -0.13161 0.07241 -0.00135 -0.00000 0.02089 27 4ZZ -0.00510 -0.01294 0.00024 0.00000 -0.09862 28 4XY 0.00000 0.00065 0.03509 0.14126 -0.00342 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.02101 -0.02437 -0.00504 0.00298 0.03269 32 2S 0.52025 -0.46336 -0.04904 -0.15951 0.62131 33 2PX -0.05715 -0.05128 0.00650 -0.09066 0.22989 34 2PY -0.07236 0.05869 0.14424 0.02405 -0.01204 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -4.33097 4.72848 0.04050 -0.11655 -6.31174 37 3PX -0.81521 1.36539 0.65280 0.49948 -2.34095 38 3PY 2.76034 -2.97025 0.11822 -0.08613 3.53659 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX -0.03819 0.01367 -0.01774 0.02414 -0.08786 41 4YY 0.09726 -0.06005 0.23569 -0.08034 0.06338 42 4ZZ -0.14937 0.12687 -0.18058 -0.00442 -0.05825 43 4XY 0.02791 0.00708 -0.19565 0.13739 0.13059 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.03561 0.03713 -0.00421 0.00158 -0.04233 47 2S -0.54724 0.55503 -0.18985 0.17346 -0.53296 48 2PX -0.01986 -0.00234 0.00338 0.05192 -0.01073 49 2PY 0.05067 -0.04712 0.17462 -0.18472 -0.00578 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 4.15185 -4.75794 0.13011 -0.57682 6.08713 52 3PX -1.06741 1.33150 0.57702 -0.11043 -1.69750 53 3PY -2.75617 2.81535 -0.30306 0.17395 -3.21717 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.03753 -0.01454 -0.09567 0.18035 -0.12675 56 4YY 0.05407 -0.05317 0.29358 -0.27869 0.17123 57 4ZZ -0.05852 0.02075 -0.18512 0.10936 0.04874 58 4XY -0.10584 0.03053 0.16806 -0.08192 -0.06295 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.02459 -0.02458 0.00046 -0.00000 0.03322 62 2S 0.25566 -0.37342 0.00695 -0.00000 0.36900 63 2PX 0.08861 -0.05164 0.00096 0.00000 0.15602 64 2PY -0.00000 0.00150 0.08058 -0.01653 0.00003 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -4.55629 4.78776 -0.08914 0.00000 -5.51439 67 3PX 2.66099 -2.93649 0.05467 -0.00000 3.52198 68 3PY 0.00000 -0.00988 -0.53069 0.09493 -0.00322 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.05919 -0.00626 0.00012 0.00000 0.18350 71 4YY 0.10649 -0.03830 0.00071 0.00000 -0.12730 72 4ZZ -0.17143 0.15277 -0.00284 -0.00000 -0.18751 73 4XY -0.00000 -0.00245 -0.13181 0.25812 -0.00793 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.03561 0.03726 0.00282 -0.00158 -0.04196 77 2S -0.54724 0.56171 0.16906 -0.17346 -0.51860 78 2PX -0.01986 -0.00247 -0.00329 -0.05192 -0.00589 79 2PY -0.05067 0.05359 0.17275 -0.18472 0.01818 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 4.15185 -4.75948 0.04709 0.57682 6.01994 82 3PX -1.06741 1.30910 -0.62618 0.11043 -1.69011 83 3PY 2.75617 -2.82467 -0.19806 0.17395 3.19210 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.03753 -0.01097 0.09614 -0.18035 -0.11541 86 4YY 0.05407 -0.06406 -0.29140 0.27869 0.15407 87 4ZZ -0.05852 0.02763 0.18423 -0.10936 0.05471 88 4XY 0.10584 -0.02426 0.16908 -0.08192 0.06885 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.02101 -0.02417 0.00594 -0.00298 0.03244 92 2S 0.52025 -0.46121 0.06625 0.15951 0.61267 93 2PX -0.05715 -0.05148 -0.00459 0.09066 0.21701 94 2PY 0.07236 -0.05328 0.14632 0.02406 0.01066 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -4.33096 4.72370 -0.21649 0.11655 -6.25704 97 3PX -0.81521 1.34014 -0.70318 -0.49948 -2.29371 98 3PY -2.76035 2.97259 0.00758 -0.08613 -3.49915 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX -0.03819 0.01432 0.01722 -0.02414 -0.08583 101 4YY 0.09726 -0.06878 -0.23329 0.08034 0.05696 102 4ZZ -0.14937 0.13351 0.17573 0.00442 -0.05773 103 4XY -0.02791 -0.01436 -0.19525 0.13739 -0.13999 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S -0.27374 0.24847 0.25258 -0.19885 -0.26214 107 2S -0.61809 0.84727 -0.24963 0.13166 -0.80864 108 9 H 1S 0.25717 -0.19182 0.28618 -0.21944 0.19559 109 2S 0.67941 -0.71572 -0.02613 0.03669 0.80246 110 10 H 1S -0.11887 0.19745 -0.00368 -0.00000 -0.40046 111 2S -0.60299 0.65637 -0.01222 0.00000 -0.75923 112 11 H 1S 0.25717 -0.20234 -0.27884 0.21944 0.18298 113 2S 0.67941 -0.71425 0.05275 -0.03669 0.80926 114 12 H 1S -0.27374 0.23890 -0.26166 0.19885 -0.27434 115 2S -0.61808 0.85597 0.21792 -0.13166 -0.81568 116 13 C 1S -0.03893 -0.01750 -0.02906 0.00000 0.01312 117 2S -0.67752 -0.25537 -0.42388 0.00000 0.29678 118 2PX 0.04849 0.01306 0.10199 0.13324 -0.14959 119 2PY -0.08399 -0.10461 -0.12726 0.07692 0.13644 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 4.79469 2.29315 3.80641 0.00000 -1.73462 122 3PX -1.70205 -1.54842 -1.55447 -0.65356 1.43736 123 3PY 2.94803 1.64506 3.31709 -0.37733 -3.49417 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.05940 0.00744 -0.03866 0.10595 -0.07871 126 4YY 0.08502 0.00687 0.06242 -0.10595 0.01207 127 4ZZ -0.00510 0.00668 0.01108 0.00000 0.05259 128 4XY -0.14442 -0.05956 -0.06486 -0.07063 0.05984 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.02101 0.01723 0.01796 -0.00298 -0.02015 132 2S 0.52025 0.28798 0.36630 0.15951 -0.42411 133 2PX -0.03409 -0.14370 -0.00004 -0.06616 0.14885 134 2PY -0.08567 -0.05783 0.05411 0.06648 -0.21529 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -4.33096 -2.54934 -3.98260 0.11655 3.95373 137 3PX 2.79814 1.92101 2.63723 0.32434 -2.85965 138 3PY 0.67418 -0.36781 0.58844 -0.38950 0.37643 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.04246 -0.24523 0.20945 0.15726 -0.08342 141 4YY 0.01661 0.08534 -0.05425 -0.10106 0.04932 142 4ZZ -0.14937 0.08543 -0.20349 0.00442 0.03662 143 4XY 0.08168 -0.00674 0.04358 -0.01646 -0.07007 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S -0.03561 -0.01619 -0.03368 -0.00158 0.02658 147 2S -0.54724 -0.13445 -0.57098 -0.17346 0.43857 148 2PX 0.05381 -0.10555 0.11310 0.18593 -0.14152 149 2PY 0.00814 -0.06281 0.06967 0.04739 -0.01514 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 4.15185 2.42052 4.09829 0.57682 -3.96819 152 3PX -1.85321 -0.47616 -1.79395 -0.20586 1.22686 153 3PY -2.30249 -1.65690 -1.98331 0.00866 1.84528 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.12932 -0.02414 0.09359 0.10249 -0.13697 156 4YY -0.03772 -0.10744 0.06902 -0.00415 0.05069 157 4ZZ -0.05852 0.14573 -0.11604 -0.10936 0.03813 158 4XY -0.04465 -0.23382 0.15164 0.27048 -0.24747 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.02459 0.01269 0.02106 -0.00000 -0.01772 162 2S 0.25566 0.19273 0.31992 -0.00000 -0.19679 163 2PX -0.04431 -0.07311 0.01390 0.01432 0.04105 164 2PY 0.07674 -0.01144 0.05911 0.00827 -0.07238 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -4.55629 -2.47108 -4.10175 0.00000 2.94086 167 3PX -1.33050 -0.36406 -1.49508 -0.08221 1.00066 168 3PY 2.30449 1.53987 2.04174 -0.04746 -1.59113 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.06507 -0.06906 0.07698 0.19359 -0.10451 171 4YY -0.01777 0.09206 -0.03880 -0.19359 0.07454 172 4ZZ -0.17143 -0.07885 -0.13088 -0.00000 0.10000 173 4XY 0.08284 0.06473 -0.02029 -0.12906 0.17019 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.03561 -0.02221 -0.03005 0.00158 0.01838 177 2S -0.54724 -0.44193 -0.38574 0.17346 0.12223 178 2PX -0.03396 -0.15342 0.04010 0.13401 -0.09937 179 2PY -0.04253 -0.08384 0.02354 0.13732 -0.11371 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 4.15185 2.49165 4.05544 -0.57682 -2.48858 182 3PX 2.92062 1.52940 2.70109 -0.09543 -1.65199 183 3PY 0.45368 0.69127 -0.10517 -0.18261 -0.00461 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.02944 0.28944 -0.14330 -0.22537 0.13671 186 4YY 0.12104 -0.08418 0.10299 0.12703 -0.09477 187 4ZZ -0.05852 -0.17070 0.07459 0.10936 -0.09330 188 4XY 0.06119 0.11307 -0.02535 -0.18856 0.03110 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.02101 0.00782 0.02363 0.00298 -0.01458 192 2S 0.52025 0.18921 0.42580 -0.15951 -0.23398 193 2PX 0.09124 -0.09840 0.08590 0.02450 -0.00334 194 2PY -0.01331 -0.02071 0.09712 -0.09054 0.02410 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -4.33097 -2.32916 -4.11524 -0.11655 2.74927 197 3PX -1.98292 -1.31615 -1.42206 -0.17515 0.90982 198 3PY -2.08617 -0.89538 -2.56332 0.47563 1.35190 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.08433 0.04032 0.01865 0.04882 -0.09679 201 4YY -0.02526 0.17162 -0.08746 -0.10502 0.15934 202 4ZZ -0.14937 -0.21982 -0.01959 -0.00442 0.02523 203 4XY 0.05376 0.21465 -0.07728 -0.12093 0.09516 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.27374 -0.34605 -0.07607 0.19885 0.00868 207 2S -0.61808 -0.23926 -0.85025 -0.13166 0.35559 208 20 H 1S 0.25717 -0.14031 0.31465 0.21944 -0.23982 209 2S 0.67941 0.40281 0.59218 -0.03669 -0.35483 210 21 H 1S -0.11887 -0.10191 -0.16916 -0.00000 0.21357 211 2S -0.60299 -0.33877 -0.56232 0.00000 0.40490 212 22 H 1S 0.25717 0.34374 0.02303 -0.21944 0.03793 213 2S 0.67941 0.33523 0.63289 0.03669 -0.50471 214 23 H 1S -0.27374 0.09451 -0.34147 -0.19885 0.27743 215 2S -0.61809 -0.63982 -0.60895 0.13166 0.51066 216 24 C 1S -0.03893 -0.01641 0.02969 0.00000 0.01148 217 2S -0.67752 -0.23941 0.43310 0.00000 0.25971 218 2PX 0.04849 0.00925 -0.10241 -0.13324 -0.13995 219 2PY 0.08399 0.09980 -0.13107 0.07692 -0.11418 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S 4.79469 2.14987 -3.88913 0.00000 -1.51795 222 3PX -1.70204 -1.48948 1.61103 0.65356 1.18376 223 3PY -2.94803 -1.52045 3.37603 -0.37733 3.10051 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX -0.05940 0.00888 0.03836 -0.10595 -0.07850 226 4YY 0.08502 0.00454 -0.06263 0.10595 0.02018 227 4ZZ -0.00510 0.00626 -0.01132 0.00000 0.04602 228 4XY 0.14442 0.05711 -0.06703 -0.07063 -0.05877 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.02101 0.00694 -0.02390 -0.00298 -0.01229 232 2S 0.52025 0.17323 -0.43255 0.15951 -0.18857 233 2PX 0.09124 -0.10153 -0.08218 -0.02450 -0.01275 234 2PY 0.01331 0.02431 0.09628 -0.09054 -0.04328 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -4.33096 -2.17436 4.19909 0.11655 2.30331 237 3PX -1.98293 -1.26230 1.47007 0.17515 0.77967 238 3PY 2.08617 0.79935 -2.59487 0.47563 -1.07124 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.08433 0.03960 -0.02014 -0.04882 -0.08984 241 4YY -0.02526 0.17476 0.08101 0.10502 0.15281 242 4ZZ -0.14937 -0.21894 0.02776 0.00442 0.02111 243 4XY -0.05376 -0.21738 -0.06924 -0.12093 -0.10001 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S -0.03561 -0.02108 0.03086 -0.00158 0.01538 247 2S -0.54724 -0.42726 0.40192 -0.17346 0.08002 248 2PX -0.03395 -0.15481 -0.03437 -0.13401 -0.10257 249 2PY 0.04253 0.08466 0.02041 0.13733 0.11898 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 4.15185 2.33896 -4.14538 0.57682 -2.05175 252 3PX 2.92062 1.42779 -2.75615 0.09543 -1.39800 253 3PY -0.45368 -0.69471 -0.07936 -0.18261 -0.00748 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX -0.02944 0.29457 0.13243 0.22537 0.14676 256 4YY 0.12104 -0.08796 -0.09979 -0.12703 -0.09914 257 4ZZ -0.05852 -0.17336 -0.06818 -0.10936 -0.09284 258 4XY -0.06119 -0.11393 -0.02112 -0.18856 -0.04840 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.02459 0.01189 -0.02152 -0.00000 -0.01550 262 2S 0.25566 0.18069 -0.32687 -0.00000 -0.17221 263 2PX -0.04431 -0.07358 -0.01117 -0.01432 0.03583 264 2PY -0.07674 0.01363 0.05864 0.00827 0.06339 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -4.55629 -2.31668 4.19089 0.00000 2.57353 267 3PX -1.33050 -0.30815 1.50759 0.08221 0.88615 268 3PY -2.30449 -1.46280 2.09765 -0.04746 1.38635 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX 0.06507 -0.07188 -0.07435 -0.19359 -0.11376 271 4YY -0.01777 0.09344 0.03534 0.19359 0.08754 272 4ZZ -0.17143 -0.07392 0.13373 -0.00000 0.08751 273 4XY -0.08284 -0.06544 -0.01787 -0.12906 -0.16380 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.03561 -0.01492 0.03426 0.00158 0.02396 277 2S -0.54724 -0.11310 0.57559 0.17346 0.41073 278 2PX 0.05381 -0.10968 -0.10910 -0.18593 -0.14852 279 2PY -0.00814 0.06536 0.06728 0.04739 0.01703 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 4.15185 2.26629 -4.18555 -0.57682 -3.59855 282 3PX -1.85321 -0.40905 1.81044 0.20586 1.10742 283 3PY 2.30249 1.58193 -2.04362 0.00866 -1.65031 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX 0.12932 -0.02761 -0.09263 -0.10249 -0.13037 286 4YY -0.03772 -0.10993 -0.06497 0.00415 0.04395 287 4ZZ -0.05852 0.14995 0.11054 0.10936 0.04456 288 4XY 0.04465 0.23930 0.14283 0.27048 0.24881 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.02101 0.01655 -0.01859 0.00298 -0.01811 292 2S 0.52025 0.27415 -0.37677 -0.15951 -0.38732 293 2PX -0.03409 -0.14360 0.00539 0.06616 0.14457 294 2PY 0.08567 0.05980 0.05192 0.06648 0.20801 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -4.33097 -2.39932 4.07474 -0.11655 3.56247 297 3PX 2.79814 1.82151 -2.70691 -0.32434 -2.60756 298 3PY -0.67418 0.38946 0.57434 -0.38950 -0.37101 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.04246 -0.25285 -0.20018 -0.15726 -0.09430 301 4YY 0.01661 0.08730 0.05103 0.10106 0.05623 302 4ZZ -0.14937 0.09295 0.20017 -0.00442 0.03301 303 4XY -0.08168 0.00836 0.04330 -0.01646 0.06043 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.27374 0.10715 0.33772 0.19885 0.26566 307 2S -0.61808 -0.61671 0.63233 -0.13166 0.46009 308 31 H 1S 0.25717 0.34265 -0.03581 0.21944 0.05685 309 2S 0.67941 0.31144 -0.64493 -0.03669 -0.45444 310 32 H 1S -0.11887 -0.09554 0.17283 -0.00000 0.18689 311 2S -0.60299 -0.31760 0.57454 0.00000 0.35433 312 33 H 1S 0.25717 -0.15193 -0.30921 -0.21944 -0.23352 313 2S 0.67941 0.38048 -0.60677 0.03669 -0.29774 314 34 H 1S -0.27374 -0.34298 0.08889 -0.19885 -0.01529 315 2S -0.61809 -0.20745 0.85857 0.13166 0.29798 236 237 238 239 240 (E')--V (A')--V (E')--V (E')--V (E")--V Eigenvalues -- 1.88170 1.89738 1.93141 1.93141 1.96464 1 1 C 1S 0.00000 -0.01680 0.00000 -0.00000 0.00000 2 2S 0.00000 -0.17342 -0.00000 -0.00000 0.00000 3 2PX 0.00023 0.00000 -0.00176 0.02636 0.00000 4 2PY 0.00586 -0.00000 0.02636 0.00176 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 6 3S -0.00000 1.86152 0.00000 -0.00000 0.00000 7 3PX 0.14794 0.00000 -0.14426 2.15975 0.00000 8 3PY 3.84716 0.00000 2.15975 0.14426 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 10 4XX 0.00352 0.00603 -0.00103 0.01544 0.00000 11 4YY -0.00352 0.00603 0.00103 -0.01544 0.00000 12 4ZZ 0.00000 0.02078 0.00000 0.00000 0.00000 13 4XY -0.10563 -0.00000 -0.01783 -0.00119 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00005 15 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00844 16 2 C 1S -0.00095 0.00688 0.00073 -0.01095 0.00000 17 2S -0.02140 -0.11632 -0.01519 0.22742 0.00000 18 2PX -0.01391 -0.18937 -0.00008 0.00118 0.00000 19 2PY -0.07242 0.00000 -0.12448 -0.00831 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 21 3S 0.12509 -0.60233 -0.13477 2.01763 0.00000 22 3PX 0.27004 0.75342 -0.25682 3.84489 0.00000 23 3PY -0.59316 -0.00000 -0.32540 -0.02174 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00026 25 4XX 0.00400 -0.03507 -0.00170 0.02540 0.00000 26 4YY 0.00080 0.09396 0.01932 -0.28923 0.00000 27 4ZZ -0.00379 -0.12294 -0.02217 0.33190 0.00000 28 4XY 0.08894 0.00000 0.03900 0.00260 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00056 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.42239 31 3 C 1S -0.00203 0.00302 0.00026 0.00668 0.00000 32 2S -0.08853 0.14837 -0.02589 0.15101 0.00000 33 2PX -0.15875 0.16721 -0.04438 -0.17102 0.00000 34 2PY 0.01752 0.03406 0.03928 -0.13398 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 -0.03593 36 3S 0.46950 -0.51745 0.15548 -2.31029 0.00000 37 3PX 0.52494 -0.46911 0.24353 -0.72127 0.00000 38 3PY -0.35151 -0.23876 -0.83400 2.82817 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 -0.22935 40 4XX 0.02309 -0.10049 -0.02612 0.08248 0.00000 41 4YY -0.08118 0.01917 -0.00250 -0.03106 0.00000 42 4ZZ 0.00449 0.09204 0.00860 -0.11427 0.00000 43 4XY 0.12742 0.24266 0.12393 -0.28572 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 -0.19923 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.36713 46 4 C 1S 0.00322 -0.00058 0.00431 -0.02725 0.00000 47 2S 0.16657 0.11127 0.13002 -0.45457 0.00000 48 2PX 0.06253 0.00994 -0.00608 -0.03785 0.00000 49 2PY -0.16168 -0.08939 -0.07190 0.14172 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00322 51 3S -0.64084 0.23002 -0.44336 2.43014 0.00000 52 3PX 0.03089 -0.08441 0.10236 -0.83645 0.00000 53 3PY 0.20279 0.20570 0.27486 -1.61256 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.19574 55 4XX 0.14273 -0.17918 0.03799 0.23416 0.00000 56 4YY -0.21683 0.15798 -0.11651 -0.04099 0.00000 57 4ZZ 0.07960 0.05523 0.08418 -0.22494 0.00000 58 4XY -0.07935 -0.10213 -0.07559 0.08624 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 -0.30924 60 4YZ 0.00000 0.00000 0.00000 0.00000 -0.23850 61 5 C 1S 0.00128 0.00249 0.00056 -0.00836 0.00000 62 2S 0.01419 -0.20273 -0.00641 0.09591 0.00000 63 2PX 0.00600 0.17800 0.00211 -0.03164 0.00000 64 2PY -0.00075 0.00000 -0.01032 -0.00069 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 66 3S -0.21207 0.40131 0.14676 -2.19715 0.00000 67 3PX 0.13545 -0.02822 -0.07342 1.09917 0.00000 68 3PY 0.08389 0.00000 0.02680 0.00179 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00021 70 4XX 0.00706 0.25241 0.01024 -0.15329 0.00000 71 4YY -0.00490 -0.18858 -0.01835 0.27475 0.00000 72 4ZZ -0.00721 -0.09447 0.01248 -0.18678 0.00000 73 4XY 0.20621 -0.00000 0.07939 0.00530 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00036 75 4YZ 0.00000 0.00000 0.00000 0.00000 -0.11653 76 6 C 1S -0.00646 -0.00058 -0.00065 -0.02758 0.00000 77 2S -0.20701 0.11127 -0.06841 -0.46783 0.00000 78 2PX -0.06317 0.00994 0.01106 -0.03670 0.00000 79 2PY -0.16076 0.08939 -0.05241 -0.15003 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00321 81 3S 1.10646 0.23002 0.11622 2.46752 0.00000 82 3PX -0.16117 -0.08441 0.00980 -0.84263 0.00000 83 3PY 0.44928 -0.20570 0.05795 1.63479 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.19554 85 4XX -0.15204 -0.17918 -0.06879 0.22703 0.00000 86 4YY 0.22935 0.15798 0.12093 -0.02513 0.00000 87 4ZZ -0.07562 0.05523 -0.05352 -0.23414 0.00000 88 4XY -0.07428 0.10213 -0.06345 -0.09553 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.30956 90 4YZ 0.00000 0.00000 0.00000 0.00000 -0.23811 91 7 C 1S 0.00454 0.00302 -0.00115 0.00658 0.00000 92 2S 0.13599 0.14837 0.00557 0.15311 0.00000 93 2PX 0.17594 0.16721 0.06673 -0.16360 0.00000 94 2PY 0.01840 -0.03406 0.02111 0.13801 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.03607 96 3S -0.95287 -0.51745 0.15317 -2.31044 0.00000 97 3PX -0.70317 -0.46910 -0.14544 -0.74725 0.00000 98 3PY -0.62209 0.23876 -0.45045 -2.91397 0.00000 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.22950 100 4XX -0.02977 -0.10049 0.01492 0.08523 0.00000 101 4YY 0.08581 0.01917 0.00661 -0.03046 0.00000 102 4ZZ -0.00895 0.09204 0.00667 -0.11440 0.00000 103 4XY 0.11701 -0.24266 0.08483 0.29966 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.19920 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.36803 106 8 H 1S -0.16900 0.09015 -0.06854 -0.29657 0.00000 107 2S -0.12279 0.11069 -0.60262 -1.81792 0.00000 108 9 H 1S -0.15672 -0.03468 -0.11088 0.03108 0.00000 109 2S 0.11949 -0.05778 0.05133 0.49957 0.00000 110 10 H 1S -0.01540 -0.24247 -0.00599 0.08969 0.00000 111 2S -0.02920 0.03341 0.01542 -0.23087 0.00000 112 11 H 1S 0.17128 -0.03468 0.10576 0.04555 0.00000 113 2S -0.05751 -0.05778 -0.11731 0.48831 0.00000 114 12 H 1S 0.14837 0.09015 0.10738 -0.28482 0.00000 115 2S 0.06033 0.11070 0.83905 -1.72162 0.00000 116 13 C 1S -0.02083 0.00688 -0.00985 0.00484 0.00000 117 2S -0.47124 -0.11632 0.20455 -0.10055 0.00000 118 2PX 0.11974 0.09468 -0.04820 -0.09670 0.00000 119 2PY -0.28464 -0.16400 -0.02660 -0.05643 0.00000 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00721 121 3S 2.75426 -0.60233 1.81470 -0.89210 0.00000 122 3PX -3.24693 -0.37671 -1.85369 0.59655 0.00000 123 3PY 4.99120 0.65248 2.92294 -1.61861 0.00000 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.04036 125 4XX -0.00028 0.06170 -0.20233 0.06680 0.00000 126 4YY 0.10609 -0.00281 -0.03497 0.04986 0.00000 127 4ZZ -0.08351 -0.12294 0.29852 -0.14675 0.00000 128 4XY -0.01150 0.06451 -0.13287 0.08709 0.00000 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.13817 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.17894 131 14 C 1S 0.02582 0.00302 0.00628 -0.00230 0.00000 132 2S 0.46260 0.14837 0.12981 -0.08138 0.00000 133 2PX -0.05002 -0.05411 -0.00684 0.06359 0.00000 134 2PY 0.08656 0.16183 -0.20608 0.06444 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 -0.02852 136 3S -4.94233 -0.51745 -2.07749 1.02257 0.00000 137 3PX 3.17240 0.02778 2.27764 -1.84941 0.00000 138 3PY -0.05614 -0.52564 0.65171 -0.49089 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 -0.12556 140 4XX -0.14485 -0.19274 0.15715 -0.17423 0.00000 141 4YY 0.09183 0.11142 -0.12048 0.12819 0.00000 142 4ZZ -0.04552 0.09204 -0.10241 0.05142 0.00000 143 4XY 0.12281 0.18116 -0.15656 0.14417 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.26584 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.04206 146 15 C 1S -0.03311 -0.00058 -0.02356 0.01435 0.00000 147 2S -0.34561 0.11127 -0.37095 0.29316 0.00000 148 2PX -0.09649 -0.08239 0.10848 -0.10866 0.00000 149 2PY -0.02513 -0.03608 0.01955 -0.05260 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00028 151 3S 4.66019 0.23002 2.07883 -1.33440 0.00000 152 3PX -1.50798 0.22034 -0.83368 0.54493 0.00000 153 3PY -2.46770 0.02975 -1.32962 0.79131 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.08150 155 4XX 0.08066 0.15029 -0.04217 -0.00557 0.00000 156 4YY -0.08584 -0.17149 0.19096 -0.14053 0.00000 157 4ZZ 0.08519 0.05523 -0.17601 0.16342 0.00000 158 4XY -0.02704 0.11752 -0.13111 -0.07047 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.01239 160 4YZ 0.00000 0.00000 0.00000 0.00000 -0.19795 161 16 C 1S 0.02813 0.00249 -0.00752 0.00369 0.00000 162 2S 0.31247 -0.20273 0.08626 -0.04240 0.00000 163 2PX -0.06640 -0.08900 0.01028 -0.01503 0.00000 164 2PY 0.11422 0.15415 -0.02693 0.00748 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00320 166 3S -4.66956 0.40131 -1.97617 0.97148 0.00000 167 3PX -1.45246 0.01411 -0.48405 0.26388 0.00000 168 3PY 2.60520 -0.02444 0.86209 -0.40883 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.03284 170 4XX -0.12448 -0.07833 0.12454 -0.12772 0.00000 171 4YY 0.17207 0.14216 -0.01530 0.07401 0.00000 172 4ZZ -0.15878 -0.09447 -0.16800 0.08259 0.00000 173 4XY -0.07661 -0.22049 0.21004 -0.05893 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 -0.02251 175 4YZ 0.00000 0.00000 0.00000 0.00000 -0.07641 176 17 C 1S -0.03827 -0.00058 -0.02575 0.00989 0.00000 177 2S -0.54484 0.11127 -0.45868 0.11469 0.00000 178 2PX -0.04540 0.07244 -0.12256 -0.00465 0.00000 179 2PY -0.07304 0.05331 -0.10509 0.02525 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00290 181 3S 5.59203 0.23002 2.32624 -0.83111 0.00000 182 3PX 3.24345 -0.13594 1.71622 -0.65691 0.00000 183 3PY 0.15728 -0.17595 0.09531 0.00130 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 -0.11224 185 4XX 0.13612 -0.00291 0.14738 0.07030 0.00000 186 4YY -0.06054 -0.01830 0.05917 -0.09889 0.00000 187 4ZZ 0.00241 0.05523 -0.23690 0.03956 0.00000 188 4XY 0.22634 0.21965 -0.13676 0.12452 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 -0.19232 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.03764 191 18 C 1S 0.02933 0.00302 0.00565 -0.00357 0.00000 192 2S 0.58233 0.14837 0.14372 -0.05309 0.00000 193 2PX -0.12261 -0.11310 0.18045 -0.09053 0.00000 194 2PY 0.25075 0.12778 -0.04122 0.09086 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00712 196 3S -5.70088 -0.51745 -2.07850 1.02050 0.00000 197 3PX -1.65975 0.44133 -2.10906 0.52427 0.00000 198 3PY -3.60228 -0.28688 -2.07954 0.47558 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.10163 200 4XX 0.08674 0.17125 -0.23017 0.03527 0.00000 201 4YY -0.07889 -0.25257 0.28901 -0.03619 0.00000 202 4ZZ -0.05269 0.09204 -0.10326 0.04969 0.00000 203 4XY 0.06686 -0.06150 0.09963 0.00039 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.04724 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.14364 206 19 H 1S -0.31177 0.09015 -0.30035 0.04942 0.00000 207 2S -0.73657 0.11070 -1.91049 0.13417 0.00000 208 20 H 1S 0.07282 -0.03468 -0.01343 -0.11436 0.00000 209 2S 0.72960 -0.05778 0.48154 -0.14256 0.00000 210 21 H 1S -0.33911 -0.24247 0.08067 -0.03966 0.00000 211 2S -0.64291 0.03341 -0.20765 0.10208 0.00000 212 22 H 1S 0.24775 -0.03468 0.08235 0.08048 0.00000 213 2S 0.63520 -0.05778 0.40698 -0.29424 0.00000 214 23 H 1S -0.14251 0.09015 -0.22257 0.20764 0.00000 215 2S -0.63891 0.11069 -1.27306 1.43085 0.00000 216 24 C 1S 0.02178 0.00688 0.00911 0.00611 0.00000 217 2S 0.49264 -0.11632 -0.18936 -0.12686 0.00000 218 2PX -0.13088 0.09468 0.06063 -0.08943 0.00000 219 2PY -0.29428 0.16400 -0.03387 0.05239 0.00000 220 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00716 221 3S -2.87935 -0.60233 -1.67993 -1.12553 0.00000 222 3PX 3.34775 -0.37671 1.75789 0.83779 0.00000 223 3PY 5.24480 -0.65248 2.68170 1.99297 0.00000 224 3PZ 0.00000 0.00000 0.00000 0.00000 -0.04009 225 4XX -0.00577 0.06170 0.19164 0.09311 0.00000 226 4YY -0.10485 -0.00281 0.02803 0.05406 0.00000 227 4ZZ 0.08730 -0.12294 -0.27635 -0.18515 0.00000 228 4XY -0.01607 -0.06451 -0.12011 -0.10399 0.00000 229 4XZ 0.00000 0.00000 0.00000 0.00000 -0.14202 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.18052 231 25 C 1S -0.03036 0.00302 -0.00513 -0.00429 0.00000 232 2S -0.59859 0.14837 -0.13539 -0.07173 0.00000 233 2PX 0.12199 -0.11310 -0.16681 -0.11372 0.00000 234 2PY 0.24816 -0.12778 -0.02877 -0.09553 0.00000 235 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00754 236 3S 5.89519 -0.51745 1.92431 1.28787 0.00000 237 3PX 1.72473 0.44132 2.02060 0.80011 0.00000 238 3PY -3.69546 0.28688 -1.99781 -0.74793 0.00000 239 3PZ 0.00000 0.00000 0.00000 0.00000 -0.10395 240 4XX -0.09392 0.17125 0.22343 0.06557 0.00000 241 4YY 0.09090 -0.25257 -0.28163 -0.07430 0.00000 242 4ZZ 0.05447 0.09204 0.09574 0.06298 0.00000 243 4XY 0.05936 0.06150 0.09879 0.01286 0.00000 244 4XZ 0.00000 0.00000 0.00000 0.00000 -0.04977 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.14733 246 26 C 1S 0.03957 -0.00058 0.02421 0.01323 0.00000 247 2S 0.55262 0.11127 0.43935 0.17467 0.00000 248 2PX 0.03763 0.07244 0.12209 0.01169 0.00000 249 2PY -0.06409 -0.05331 -0.10080 -0.03900 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00292 251 3S -5.76665 0.23002 -2.19504 -1.13311 0.00000 252 3PX -3.36075 -0.13594 -1.61361 -0.87933 0.00000 253 3PY 0.15717 0.17595 0.09464 0.01139 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.11405 255 4XX -0.12522 -0.00291 -0.15542 0.05008 0.00000 256 4YY 0.05309 -0.01830 -0.04550 -0.10588 0.00000 257 4ZZ -0.00957 0.05523 0.22953 0.07072 0.00000 258 4XY 0.22328 -0.21965 -0.11899 -0.14160 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.19576 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.03933 261 27 C 1S -0.02941 0.00249 0.00696 0.00466 0.00000 262 2S -0.32666 -0.20273 -0.07985 -0.05350 0.00000 263 2PX 0.06936 -0.08900 -0.00819 -0.01626 0.00000 264 2PY 0.11944 -0.15415 -0.02569 -0.01099 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00318 266 3S 4.88164 0.40131 1.82941 1.22568 0.00000 267 3PX 1.52502 0.01411 0.44465 0.32591 0.00000 268 3PY 2.71971 0.02444 0.80006 0.51986 0.00000 269 3PZ 0.00000 0.00000 0.00000 0.00000 -0.03263 270 4XX 0.11609 -0.07833 -0.10645 -0.14315 0.00000 271 4YY -0.16583 0.14216 0.00532 0.07539 0.00000 272 4ZZ 0.16599 -0.09447 0.15552 0.10420 0.00000 273 4XY -0.08945 0.22049 0.20034 0.08634 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.02367 275 4YZ 0.00000 0.00000 0.00000 0.00000 -0.07668 276 28 C 1S 0.03505 -0.00058 0.02144 0.01736 0.00000 277 2S 0.37827 0.11127 0.32866 0.33989 0.00000 278 2PX 0.08533 -0.08239 -0.09307 -0.12212 0.00000 279 2PY -0.02390 0.03608 0.01238 0.05474 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00032 281 3S -4.95119 0.23002 -1.88288 -1.59903 0.00000 282 3PX 1.59775 0.22034 0.75380 0.65097 0.00000 283 3PY -2.60213 -0.02975 -1.21256 -0.96112 0.00000 284 3PZ 0.00000 0.00000 0.00000 0.00000 -0.08351 285 4XX -0.09094 0.15029 0.04254 0.00009 0.00000 286 4YY 0.08948 -0.17149 -0.17057 -0.16467 0.00000 287 4ZZ -0.08201 0.05523 0.15271 0.18538 0.00000 288 4XY -0.00796 -0.11752 -0.13932 0.05240 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 -0.01164 290 4YZ 0.00000 0.00000 0.00000 0.00000 -0.20168 291 29 C 1S -0.02729 0.00302 -0.00592 -0.00311 0.00000 292 2S -0.49380 0.14837 -0.11784 -0.09793 0.00000 293 2PX 0.06130 -0.05411 -0.00168 0.06394 0.00000 294 2PY 0.10284 -0.16183 -0.19568 -0.09127 0.00000 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.02881 296 3S 5.23138 -0.51745 1.92303 1.28979 0.00000 297 3PX -3.38266 0.02778 -2.01143 -2.13590 0.00000 298 3PY -0.08490 0.52564 0.58063 0.57321 0.00000 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.12772 300 4XX 0.13801 -0.19274 -0.13258 -0.19358 0.00000 301 4YY -0.08777 0.11142 0.10236 0.14308 0.00000 302 4ZZ 0.04820 0.09204 0.09466 0.06459 0.00000 303 4XY 0.12783 -0.18116 -0.13600 -0.16371 0.00000 304 4XZ 0.00000 0.00000 0.00000 0.00000 -0.26954 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.04193 306 30 H 1S 0.16340 0.09015 0.19297 0.23540 0.00000 307 2S 0.67624 0.11070 1.07145 1.58745 0.00000 308 31 H 1S -0.24410 -0.03468 -0.09233 0.06881 0.00000 309 2S -0.67209 -0.05778 -0.36423 -0.34575 0.00000 310 32 H 1S 0.35451 -0.24247 -0.07468 -0.05003 0.00000 311 2S 0.67211 0.03341 0.19223 0.12879 0.00000 312 33 H 1S -0.09102 -0.03468 0.02852 -0.11156 0.00000 313 2S -0.75470 -0.05778 -0.45830 -0.20534 0.00000 314 34 H 1S 0.31152 0.09015 0.29111 0.08893 0.00000 315 2S 0.76170 0.11069 1.87568 0.38708 0.00000 241 242 243 244 245 (E")--V (A")--V (A')--V (E')--V (E')--V Eigenvalues -- 1.96464 1.96474 1.98762 2.01150 2.01150 1 1 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 3 2PX 0.00000 0.00000 -0.00000 -0.00362 0.03583 4 2PY 0.00000 0.00000 -0.00000 0.03583 0.00362 5 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 -0.00001 -0.00000 0.00000 7 3PX 0.00000 0.00000 -0.00000 -0.22737 2.24812 8 3PY 0.00000 0.00000 0.00000 2.24812 0.22737 9 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 10 4XX 0.00000 0.00000 -0.00000 0.00487 -0.04815 11 4YY 0.00000 0.00000 -0.00000 -0.00487 0.04815 12 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 -0.00000 0.05560 0.00562 14 4XZ -0.00844 -0.00000 -0.00000 0.00000 0.00000 15 4YZ -0.00005 -0.00000 -0.00000 0.00000 0.00000 16 2 C 1S 0.00000 0.00000 0.00000 0.00355 -0.03509 17 2S 0.00000 0.00000 0.00000 0.03288 -0.32513 18 2PX 0.00000 0.00000 0.00000 0.01733 -0.17135 19 2PY 0.00000 0.00000 -0.07868 -0.01489 -0.00151 20 2PZ 0.00830 -0.00000 -0.00000 0.00000 0.00000 21 3S 0.00000 0.00000 -0.00000 -0.27131 2.68245 22 3PX 0.00000 0.00000 -0.00000 -0.37333 3.69119 23 3PY 0.00000 0.00000 -0.20362 -1.13409 -0.11470 24 3PZ 0.04645 0.00000 -0.00000 0.00000 0.00000 25 4XX 0.00000 0.00000 0.00000 0.00782 -0.07729 26 4YY 0.00000 0.00000 -0.00000 -0.02714 0.26837 27 4ZZ 0.00000 0.00000 0.00000 0.01899 -0.18780 28 4XY 0.00000 0.00000 0.25113 0.18621 0.01883 29 4XZ 0.09884 -0.00000 -0.00000 0.00000 0.00000 30 4YZ 0.00238 0.30117 -0.00000 0.00000 0.00000 31 3 C 1S 0.00000 0.00000 -0.01386 0.00334 -0.00870 32 2S 0.00000 0.00000 -0.34040 -0.06601 -0.08391 33 2PX 0.00000 0.00000 -0.00211 0.04798 -0.01161 34 2PY 0.00000 0.00000 0.14907 0.10493 0.08267 35 2PZ -0.01252 -0.01658 -0.00000 0.00000 0.00000 36 3S 0.00000 0.00000 0.42534 0.40866 -1.08367 37 3PX 0.00000 0.00000 -0.35793 -0.65700 0.40220 38 3PY 0.00000 0.00000 -0.04447 -0.94990 2.21949 39 3PZ -0.01506 -0.19286 -0.00000 0.00000 0.00000 40 4XX 0.00000 0.00000 0.05927 -0.15383 0.16436 41 4YY 0.00000 0.00000 0.19273 0.15884 0.04664 42 4ZZ 0.00000 0.00000 -0.30128 -0.00805 -0.28157 43 4XY 0.00000 0.00000 -0.01282 0.02748 -0.09461 44 4XZ 0.00134 -0.14294 -0.00000 0.00000 0.00000 45 4YZ 0.08179 0.25866 -0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 -0.01664 0.00365 0.00157 47 2S 0.00000 0.00000 -0.18580 0.17255 0.00070 48 2PX 0.00000 0.00000 0.07298 -0.09120 0.16527 49 2PY 0.00000 0.00000 0.02641 -0.05644 -0.11594 50 2PZ -0.00149 0.00045 -0.00000 0.00000 0.00000 51 3S 0.00000 0.00000 0.62615 0.04199 0.85006 52 3PX 0.00000 0.00000 -0.16699 -0.10141 0.01508 53 3PY 0.00000 0.00000 -0.29713 0.43422 -1.09940 54 3PZ -0.01659 0.15510 -0.00000 0.00000 0.00000 55 4XX 0.00000 0.00000 0.12314 0.00653 0.01596 56 4YY 0.00000 0.00000 0.08508 -0.05635 -0.08271 57 4ZZ 0.00000 0.00000 -0.20403 0.09692 0.11245 58 4XY 0.00000 0.00000 0.07797 0.01771 0.22019 59 4XZ -0.02986 -0.22848 -0.00000 0.00000 0.00000 60 4YZ 0.03289 -0.17494 -0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 -0.00000 -0.00351 0.03470 62 2S 0.00000 0.00000 -0.00000 -0.05754 0.56892 63 2PX 0.00000 0.00000 0.00000 0.01845 -0.18243 64 2PY 0.00000 0.00000 -0.04423 0.07239 0.00732 65 2PZ 0.00368 -0.00000 -0.00000 0.00000 0.00000 66 3S 0.00000 0.00000 0.00000 0.25361 -2.50750 67 3PX 0.00000 0.00000 -0.00000 -0.13465 1.33129 68 3PY 0.00000 0.00000 -0.24247 -0.00035 -0.00004 69 3PZ 0.03780 -0.00000 -0.00000 0.00000 0.00000 70 4XX 0.00000 0.00000 -0.00000 0.00853 -0.08430 71 4YY 0.00000 0.00000 0.00000 0.02900 -0.28671 72 4ZZ 0.00000 0.00000 -0.00000 -0.04584 0.45327 73 4XY 0.00000 0.00000 0.09682 0.14916 0.01509 74 4XZ -0.06322 0.00000 -0.00000 0.00000 0.00000 75 4YZ -0.00066 -0.09063 -0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.01664 -0.00390 0.00081 77 2S 0.00000 0.00000 0.18580 -0.16919 -0.03386 78 2PX 0.00000 0.00000 -0.07298 0.05626 0.18018 79 2PY 0.00000 0.00000 0.02641 -0.07851 0.10229 80 2PZ -0.00152 -0.00045 -0.00000 0.00000 0.00000 81 3S 0.00000 0.00000 -0.62615 -0.21135 0.82444 82 3PX 0.00000 0.00000 0.16699 0.09634 0.03508 83 3PY 0.00000 0.00000 -0.29713 0.20528 1.16408 84 3PZ -0.01879 -0.15510 -0.00000 0.00000 0.00000 85 4XX 0.00000 0.00000 -0.12314 -0.00960 0.01433 86 4YY 0.00000 0.00000 -0.08508 0.07177 -0.06975 87 4ZZ 0.00000 0.00000 0.20403 -0.11747 0.09076 88 4XY 0.00000 0.00000 0.07798 0.06144 -0.21219 89 4XZ -0.02637 0.22848 -0.00000 0.00000 0.00000 90 4YZ -0.03558 -0.17494 -0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.01386 -0.00153 -0.00919 92 2S 0.00000 0.00000 0.34040 0.08147 -0.06899 93 2PX 0.00000 0.00000 0.00211 -0.04468 -0.02098 94 2PY 0.00000 0.00000 0.14907 0.11936 -0.05999 95 2PZ -0.01211 0.01658 -0.00000 0.00000 0.00000 96 3S 0.00000 0.00000 -0.42533 -0.18340 -1.14354 97 3PX 0.00000 0.00000 0.35793 0.56315 0.52561 98 3PY 0.00000 0.00000 -0.04446 -0.48624 -2.36474 99 3PZ -0.01248 0.19286 -0.00000 0.00000 0.00000 100 4XX 0.00000 0.00000 -0.05927 0.11780 0.19183 101 4YY 0.00000 0.00000 -0.19273 -0.16496 0.01389 102 4ZZ 0.00000 0.00000 0.30128 0.06427 -0.27425 103 4XY 0.00000 0.00000 -0.01282 0.00798 0.09819 104 4XZ 0.00359 0.14294 -0.00000 0.00000 0.00000 105 4YZ -0.07764 0.25866 -0.00000 0.00000 0.00000 106 8 H 1S 0.00000 0.00000 0.19809 0.14803 -0.17511 107 2S 0.00000 0.00000 0.11078 -0.54061 -1.59322 108 9 H 1S 0.00000 0.00000 0.09117 -0.00107 0.01553 109 2S 0.00000 0.00000 -0.13972 0.06842 0.32288 110 10 H 1S 0.00000 0.00000 0.00000 -0.00389 0.03851 111 2S 0.00000 0.00000 0.00000 0.03169 -0.31328 112 11 H 1S 0.00000 0.00000 -0.09117 -0.00207 0.01543 113 2S 0.00000 0.00000 0.13972 -0.13168 0.30264 114 12 H 1S 0.00000 0.00000 -0.19809 -0.10997 -0.20121 115 2S 0.00000 0.00000 -0.11077 0.84868 -1.45270 116 13 C 1S 0.00000 0.00000 0.00000 -0.03216 0.01447 117 2S 0.00000 0.00000 0.00000 -0.29801 0.13408 118 2PX 0.00000 0.00000 0.06814 0.07321 -0.04716 119 2PY 0.00000 0.00000 0.03934 -0.13909 0.05437 120 2PZ -0.00411 -0.00000 -0.00000 0.00000 0.00000 121 3S 0.00000 0.00000 -0.00000 2.45872 -1.10626 122 3PX 0.00000 0.00000 0.17634 -2.09672 -0.13910 123 3PY 0.00000 0.00000 0.10180 2.69619 -1.83809 124 3PZ -0.02300 0.00000 -0.00000 0.00000 0.00000 125 4XX 0.00000 0.00000 0.18835 0.10918 -0.20305 126 4YY 0.00000 0.00000 -0.18835 0.06596 0.12425 127 4ZZ 0.00000 0.00000 0.00000 -0.17213 0.07745 128 4XY 0.00000 0.00000 -0.12557 0.19681 0.01406 129 4XZ 0.34229 -0.26082 -0.00000 0.00000 0.00000 130 4YZ 0.14111 -0.15059 -0.00000 0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.01386 -0.00720 0.00593 132 2S 0.00000 0.00000 0.34040 -0.10049 -0.03606 133 2PX 0.00000 0.00000 -0.13015 0.09459 0.03895 134 2PY 0.00000 0.00000 -0.07271 0.05943 0.07928 135 2PZ -0.02518 0.01658 -0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 -0.42533 -0.89864 0.73060 137 3PX 0.00000 0.00000 -0.14046 1.47620 -1.01339 138 3PY 0.00000 0.00000 0.33221 1.05275 -1.45169 139 3PZ -0.19252 0.19286 -0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 -0.16898 0.15848 0.01045 141 4YY 0.00000 0.00000 -0.08302 0.04327 -0.07247 142 4ZZ 0.00000 0.00000 0.30128 -0.26964 0.08147 143 4XY 0.00000 0.00000 -0.06032 -0.04688 0.19493 144 4XZ 0.32956 -0.29547 -0.00000 0.00000 0.00000 145 4YZ -0.01100 -0.00554 -0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.01664 0.00265 0.00297 147 2S 0.00000 0.00000 0.18580 0.05527 0.16345 148 2PX 0.00000 0.00000 0.01362 -0.17467 0.05481 149 2PY 0.00000 0.00000 -0.07641 0.04685 -0.12864 150 2PZ 0.00354 -0.00045 -0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 -0.62615 0.81967 -0.22919 152 3PX 0.00000 0.00000 0.17383 -0.77528 0.70851 153 3PY 0.00000 0.00000 0.29318 -0.46815 0.29247 154 3PZ 0.17874 -0.15510 -0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 -0.03611 -0.22877 0.01949 156 4YY 0.00000 0.00000 -0.17211 0.14969 -0.04562 157 4ZZ 0.00000 0.00000 0.20403 0.13734 0.05635 158 4XY 0.00000 0.00000 -0.01996 0.05049 -0.04065 159 4XZ -0.06654 0.03726 -0.00000 0.00000 0.00000 160 4YZ -0.33275 0.28534 -0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 -0.00000 0.03180 -0.01431 162 2S 0.00000 0.00000 -0.00000 0.52147 -0.23463 163 2PX 0.00000 0.00000 0.03831 0.10946 0.01984 164 2PY 0.00000 0.00000 0.02212 -0.12989 0.09833 165 2PZ -0.00182 -0.00000 -0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 -2.29837 1.03411 167 3PX 0.00000 0.00000 0.20998 -0.61025 0.27424 168 3PY 0.00000 0.00000 0.12123 1.05670 -0.47564 169 3PZ -0.01872 -0.00000 -0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.07261 -0.26256 -0.00517 171 4YY 0.00000 0.00000 -0.07261 -0.07752 0.15818 172 4ZZ 0.00000 0.00000 -0.00000 0.41547 -0.18693 173 4XY 0.00000 0.00000 -0.04841 -0.06201 0.11010 174 4XZ -0.10333 0.07849 -0.00000 0.00000 0.00000 175 4YZ -0.02352 0.04532 -0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 -0.01664 -0.00046 -0.00395 177 2S 0.00000 0.00000 -0.18580 -0.08566 -0.14978 178 2PX 0.00000 0.00000 -0.05936 -0.03185 -0.09070 179 2PY 0.00000 0.00000 0.05000 0.19953 -0.05659 180 2PZ -0.00205 0.00045 -0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.62615 0.71518 -0.46140 182 3PX 0.00000 0.00000 0.34082 0.98069 -0.19054 183 3PY 0.00000 0.00000 0.00394 0.63983 -0.01730 184 3PZ -0.16123 0.15510 -0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.15308 0.10643 -0.02987 186 4YY 0.00000 0.00000 0.05514 -0.13932 0.10639 187 4ZZ 0.00000 0.00000 -0.20403 0.04892 -0.14016 188 4XY 0.00000 0.00000 -0.05802 -0.11792 0.11461 189 4XZ -0.30600 0.26574 -0.00000 0.00000 0.00000 190 4YZ 0.14981 -0.11040 -0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 -0.01386 -0.00921 0.00146 192 2S 0.00000 0.00000 -0.34040 -0.03967 0.09912 193 2PX 0.00000 0.00000 -0.12804 0.00045 0.13237 194 2PY 0.00000 0.00000 -0.07636 -0.03905 0.03515 195 2PZ 0.03737 -0.01658 -0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.42534 -1.14281 0.18792 197 3PX 0.00000 0.00000 0.21747 -2.41434 0.06471 198 3PY 0.00000 0.00000 -0.28774 -0.61240 0.46214 199 3PZ 0.20615 -0.19286 -0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.14975 -0.04621 -0.09027 201 4YY 0.00000 0.00000 0.10225 0.22644 -0.01957 202 4ZZ 0.00000 0.00000 -0.30128 -0.23982 0.14776 203 4XY 0.00000 0.00000 0.07314 -0.08130 -0.11771 204 4XZ 0.22483 -0.15253 -0.00000 0.00000 0.00000 205 4YZ 0.32826 -0.25312 -0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.00000 -0.19809 -0.11927 0.19584 207 2S 0.00000 0.00000 -0.11077 -1.68242 -0.00862 208 20 H 1S 0.00000 0.00000 -0.09117 0.01440 -0.00593 209 2S 0.00000 0.00000 0.13972 0.32793 -0.03728 210 21 H 1S 0.00000 0.00000 0.00000 0.03530 -0.01588 211 2S 0.00000 0.00000 0.00000 -0.28716 0.12920 212 22 H 1S 0.00000 0.00000 0.09117 0.01398 -0.00684 213 2S 0.00000 0.00000 -0.13972 0.24541 -0.22069 214 23 H 1S 0.00000 0.00000 0.19809 -0.22567 -0.04064 215 2S 0.00000 0.00000 0.11078 -1.10946 1.26479 216 24 C 1S 0.00000 0.00000 0.00000 0.02861 0.02062 217 2S 0.00000 0.00000 0.00000 0.26512 0.19104 218 2PX 0.00000 0.00000 -0.06814 -0.06229 -0.06086 219 2PY 0.00000 0.00000 0.03934 -0.12539 -0.08112 220 2PZ -0.00419 -0.00000 -0.00000 0.00000 0.00000 221 3S 0.00000 0.00000 -0.00000 -2.18741 -1.57619 222 3PX 0.00000 0.00000 -0.17633 2.08210 0.28355 223 3PY 0.00000 0.00000 0.10181 2.27354 2.34073 224 3PZ -0.02345 0.00000 -0.00000 0.00000 0.00000 225 4XX 0.00000 0.00000 -0.18835 -0.06631 -0.22080 226 4YY 0.00000 0.00000 0.18835 -0.08950 0.10852 227 4ZZ 0.00000 0.00000 0.00000 0.15314 0.11035 228 4XY 0.00000 0.00000 -0.12557 0.19564 0.02563 229 4XZ 0.34071 0.26082 -0.00000 0.00000 0.00000 230 4YZ -0.13909 -0.15059 -0.00000 0.00000 0.00000 231 25 C 1S 0.00000 0.00000 0.01386 0.00873 0.00327 232 2S 0.00000 0.00000 0.34040 0.01901 0.10506 233 2PX 0.00000 0.00000 0.12804 -0.02695 0.12960 234 2PY 0.00000 0.00000 -0.07636 -0.03122 -0.04225 235 2PZ 0.03729 0.01658 -0.00000 0.00000 0.00000 236 3S 0.00000 0.00000 -0.42533 1.08204 0.41295 237 3PX 0.00000 0.00000 -0.21747 2.35249 0.54683 238 3PY 0.00000 0.00000 -0.28774 -0.50746 -0.57541 239 3PZ 0.20499 0.19286 -0.00000 0.00000 0.00000 240 4XX 0.00000 0.00000 -0.14975 0.06335 -0.07919 241 4YY 0.00000 0.00000 -0.10226 -0.21793 -0.06451 242 4ZZ 0.00000 0.00000 0.30128 0.20537 0.19278 243 4XY 0.00000 0.00000 0.07314 -0.10323 0.09905 244 4XZ 0.22428 0.15253 -0.00000 0.00000 0.00000 245 4YZ -0.32662 -0.25312 -0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.01664 0.00125 -0.00378 247 2S 0.00000 0.00000 0.18580 0.11392 -0.12959 248 2PX 0.00000 0.00000 0.05936 0.04937 -0.08249 249 2PY 0.00000 0.00000 0.05000 0.18416 0.09540 250 2PZ -0.00201 -0.00045 -0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 -0.62615 -0.60831 -0.59526 252 3PX 0.00000 0.00000 -0.34082 -0.92268 -0.38305 253 3PY 0.00000 0.00000 0.00395 0.62341 0.14507 254 3PZ -0.15995 -0.15510 -0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 -0.15308 -0.09829 -0.05057 256 4YY 0.00000 0.00000 -0.05514 0.11520 0.13213 257 4ZZ 0.00000 0.00000 0.20403 -0.01987 -0.14711 258 4XY 0.00000 0.00000 -0.05802 -0.09258 -0.13590 259 4XZ -0.30382 -0.26574 -0.00000 0.00000 0.00000 260 4YZ -0.14938 -0.11040 -0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 -0.00000 -0.02829 -0.02039 262 2S 0.00000 0.00000 -0.00000 -0.46393 -0.33429 263 2PX 0.00000 0.00000 -0.03831 -0.11122 -0.00248 264 2PY 0.00000 0.00000 0.02212 -0.10757 -0.12235 265 2PZ -0.00186 -0.00000 -0.00000 0.00000 0.00000 266 3S 0.00000 0.00000 0.00000 2.04475 1.47339 267 3PX 0.00000 0.00000 -0.20998 0.54298 0.39088 268 3PY 0.00000 0.00000 0.12124 0.94006 0.67760 269 3PZ -0.01908 -0.00000 -0.00000 0.00000 0.00000 270 4XX 0.00000 0.00000 -0.07261 0.25827 0.04751 271 4YY 0.00000 0.00000 0.07261 0.04427 0.17050 272 4ZZ 0.00000 0.00000 -0.00000 -0.36962 -0.26634 273 4XY 0.00000 0.00000 -0.04841 -0.03870 -0.12029 274 4XZ -0.10307 -0.07849 -0.00000 0.00000 0.00000 275 4YZ 0.02266 0.04532 -0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 -0.01664 -0.00319 0.00238 277 2S 0.00000 0.00000 -0.18580 -0.08688 0.14908 278 2PX 0.00000 0.00000 -0.01362 0.16015 0.08868 279 2PY 0.00000 0.00000 -0.07641 0.02015 0.13541 280 2PZ 0.00353 0.00045 -0.00000 0.00000 0.00000 281 3S 0.00000 0.00000 0.62615 -0.75717 -0.38867 282 3PX 0.00000 0.00000 -0.17383 0.61771 0.84940 283 3PY 0.00000 0.00000 0.29318 -0.40010 -0.38029 284 3PZ 0.17781 0.15510 -0.00000 0.00000 0.00000 285 4XX 0.00000 0.00000 0.03611 0.22024 0.06490 286 4YY 0.00000 0.00000 0.17211 -0.13753 -0.07467 287 4ZZ 0.00000 0.00000 -0.20403 -0.14584 0.02771 288 4XY 0.00000 0.00000 -0.01996 0.04133 0.04994 289 4XZ -0.06668 -0.03726 -0.00000 0.00000 0.00000 290 4YZ 0.33050 0.28533 -0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 -0.01386 0.00586 0.00725 292 2S 0.00000 0.00000 -0.34040 0.10567 -0.01521 293 2PX 0.00000 0.00000 0.13015 -0.10047 0.01922 294 2PY 0.00000 0.00000 -0.07271 0.07410 -0.06578 295 2PZ -0.02485 -0.01658 -0.00000 0.00000 0.00000 296 3S 0.00000 0.00000 0.42534 0.73415 0.89574 297 3PX 0.00000 0.00000 0.14045 -1.24339 -1.28845 298 3PY 0.00000 0.00000 0.33221 0.74076 1.63310 299 3PZ -0.19109 -0.19286 -0.00000 0.00000 0.00000 300 4XX 0.00000 0.00000 0.16898 -0.15736 -0.02150 301 4YY 0.00000 0.00000 0.08302 -0.02788 -0.07966 302 4ZZ 0.00000 0.00000 -0.30128 0.24787 0.13381 303 4XY 0.00000 0.00000 -0.06032 -0.00690 -0.20037 304 4XZ 0.32654 0.29547 -0.00000 0.00000 0.00000 305 4YZ 0.01148 -0.00554 -0.00000 0.00000 0.00000 306 30 H 1S 0.00000 0.00000 -0.19809 0.22923 0.00537 307 2S 0.00000 0.00000 -0.11077 0.83374 1.46133 308 31 H 1S 0.00000 0.00000 -0.09117 -0.01233 -0.00951 309 2S 0.00000 0.00000 0.13972 -0.19625 -0.26536 310 32 H 1S 0.00000 0.00000 0.00000 -0.03140 -0.02263 311 2S 0.00000 0.00000 0.00000 0.25547 0.18408 312 33 H 1S 0.00000 0.00000 0.09117 -0.01292 -0.00869 313 2S 0.00000 0.00000 -0.13972 -0.31383 -0.10219 314 34 H 1S 0.00000 0.00000 0.19809 0.07764 0.21576 315 2S 0.00000 0.00000 0.11078 1.65007 0.32843 246 247 248 249 250 (A")--V (A')--V (E')--V (E')--V (E')--V Eigenvalues -- 2.01563 2.02419 2.03790 2.03790 2.08013 1 1 C 1S 0.00000 0.01823 0.00000 -0.00000 0.00000 2 2S 0.00000 -0.04942 -0.00000 0.00000 0.00000 3 2PX 0.00000 0.00000 -0.00027 0.05827 -0.12632 4 2PY 0.00000 -0.00000 0.05827 0.00027 0.03288 5 2PZ 0.08210 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 -2.19520 -0.00000 0.00000 -0.00000 7 3PX 0.00000 -0.00000 0.01456 -3.12531 3.66163 8 3PY 0.00000 0.00000 -3.12531 -0.01456 -0.95318 9 3PZ -0.01045 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00000 0.04787 -0.00035 0.07487 -0.04256 11 4YY 0.00000 0.04787 0.00035 -0.07487 0.04256 12 4ZZ 0.00000 -0.01417 -0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 -0.08645 -0.00040 -0.01279 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 0.03427 0.00020 -0.04188 0.00621 17 2S 0.00000 0.41316 0.00250 -0.53646 0.06128 18 2PX 0.00000 0.17934 0.00003 -0.00708 -0.03837 19 2PY 0.00000 0.00000 0.04071 0.00019 0.02050 20 2PZ 0.01565 0.00000 0.00000 0.00000 0.00000 21 3S 0.00000 -2.21292 -0.01891 4.05671 -1.20614 22 3PX 0.00000 -1.98957 0.00285 -0.61411 2.52783 23 3PY 0.00000 -0.00000 2.30596 0.01075 0.71366 24 3PZ 0.14481 0.00000 0.00000 0.00000 0.00000 25 4XX 0.00000 -0.00104 -0.00133 0.28487 -0.09605 26 4YY 0.00000 -0.21072 0.00017 -0.03569 0.09210 27 4ZZ 0.00000 0.25645 0.00103 -0.22157 -0.01022 28 4XY 0.00000 -0.00000 -0.30908 -0.00144 0.00365 29 4XZ 0.39594 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 0.00592 0.01696 -0.00878 0.00415 32 2S 0.00000 0.00910 0.33527 -0.01175 0.03327 33 2PX 0.00000 -0.07903 0.06206 0.03245 0.02962 34 2PY 0.00000 -0.07385 -0.19521 0.00360 0.00556 35 2PZ -0.03094 0.00000 0.00000 0.00000 0.00000 36 3S 0.00000 1.30515 -1.58214 -0.72898 -0.58391 37 3PX 0.00000 0.09506 0.82649 0.00544 0.11771 38 3PY 0.00000 -1.22860 0.95382 1.02561 1.23134 39 3PZ -0.09185 0.00000 0.00000 0.00000 0.00000 40 4XX 0.00000 -0.10485 0.13628 0.05446 -0.00874 41 4YY 0.00000 -0.08958 -0.33703 0.13279 -0.01262 42 4ZZ 0.00000 0.25181 0.25293 -0.24657 0.02778 43 4XY 0.00000 -0.01284 -0.05088 -0.09251 -0.04391 44 4XZ 0.00067 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.22741 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00182 0.00508 -0.01153 0.00832 47 2S 0.00000 0.05149 -0.14611 -0.16856 0.13451 48 2PX 0.00000 -0.12459 0.01591 0.07721 -0.00085 49 2PY 0.00000 0.09208 0.11893 -0.00671 -0.06572 50 2PZ -0.01362 0.00000 0.00000 0.00000 0.00000 51 3S 0.00000 -1.38682 -0.17331 1.25886 -0.07256 52 3PX 0.00000 0.17354 0.13348 -0.21847 0.12789 53 3PY 0.00000 1.09649 -0.36468 -1.16275 -0.10153 54 3PZ -0.05310 0.00000 0.00000 0.00000 0.00000 55 4XX 0.00000 0.05243 -0.12237 0.00103 -0.04014 56 4YY 0.00000 0.03607 0.03850 -0.00499 -0.01744 57 4ZZ 0.00000 -0.13944 0.02032 0.02313 0.08882 58 4XY 0.00000 -0.09685 -0.06204 0.05642 0.11477 59 4XZ -0.13935 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.18428 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.03288 -0.00008 0.01681 0.00841 62 2S 0.00000 -0.48504 -0.00133 0.28426 0.09102 63 2PX 0.00000 0.11080 0.00019 -0.04060 -0.03638 64 2PY 0.00000 0.00000 -0.03872 -0.00018 0.06559 65 2PZ 0.02965 0.00000 0.00000 0.00000 0.00000 66 3S 0.00000 2.47797 0.00996 -2.13509 -0.29554 67 3PX 0.00000 -1.48113 -0.00556 1.19313 0.11947 68 3PY 0.00000 0.00000 0.10878 0.00051 -0.06611 69 3PZ 0.15480 0.00000 0.00000 0.00000 0.00000 70 4XX 0.00000 0.03113 0.00021 -0.04605 -0.01716 71 4YY 0.00000 0.24955 0.00038 -0.08206 -0.09090 72 4ZZ 0.00000 -0.31036 -0.00051 0.10941 0.14241 73 4XY 0.00000 -0.00000 -0.29107 -0.00136 0.02972 74 4XZ -0.29405 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00182 -0.00497 -0.01157 -0.00814 77 2S 0.00000 0.05148 0.14767 -0.16719 -0.06105 78 2PX 0.00000 -0.12459 -0.01663 0.07706 0.08037 79 2PY 0.00000 -0.09208 0.11887 0.00782 0.03221 80 2PZ -0.01362 0.00000 0.00000 0.00000 0.00000 81 3S 0.00000 -1.38681 0.16156 1.26042 0.34860 82 3PX 0.00000 0.17354 -0.13143 -0.21970 -0.15207 83 3PY 0.00000 -1.09648 -0.37551 1.15930 0.08946 84 3PZ -0.05310 0.00000 0.00000 0.00000 0.00000 85 4XX 0.00000 0.05244 0.12236 0.00217 0.09631 86 4YY 0.00000 0.03607 -0.03845 -0.00535 -0.00173 87 4ZZ 0.00000 -0.13944 -0.02053 0.02294 -0.12519 88 4XY 0.00000 0.09685 -0.06151 -0.05700 -0.01877 89 4XZ -0.13935 0.00000 0.00000 0.00000 0.00000 90 4YZ -0.18428 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00592 -0.01687 -0.00894 -0.01243 92 2S 0.00000 0.00910 -0.33515 -0.01488 -0.15010 93 2PX 0.00000 -0.07903 -0.06236 0.03187 -0.07299 94 2PY 0.00000 0.07385 -0.19517 -0.00542 -0.03349 95 2PZ -0.03094 0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 1.30515 1.58888 -0.71420 0.11492 97 3PX 0.00000 0.09506 -0.82650 -0.00226 -0.29063 98 3PY 0.00000 1.22860 0.96335 -1.01667 -0.44546 99 3PZ -0.09185 0.00000 0.00000 0.00000 0.00000 100 4XX 0.00000 -0.10485 -0.13679 0.05319 0.12026 101 4YY 0.00000 -0.08958 0.33577 0.13593 -0.04796 102 4ZZ 0.00000 0.25181 -0.25062 -0.24891 -0.11467 103 4XY 0.00000 0.01284 -0.05174 0.09203 -0.03352 104 4XZ 0.00067 0.00000 0.00000 0.00000 0.00000 105 4YZ -0.22741 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.00000 0.16557 -0.27235 -0.21943 -0.01818 107 2S 0.00000 0.32130 0.18549 -0.34051 -0.65099 108 9 H 1S 0.00000 -0.06726 -0.04891 0.07695 -0.04022 109 2S 0.00000 -0.25984 -0.06219 0.31160 0.04610 110 10 H 1S 0.00000 0.04400 0.00009 -0.01909 0.02487 111 2S 0.00000 0.35699 0.00130 -0.27904 -0.02090 112 11 H 1S 0.00000 -0.06726 0.04819 0.07740 -0.04319 113 2S 0.00000 -0.25984 0.05928 0.31216 0.03889 114 12 H 1S 0.00000 0.16557 0.27439 -0.21689 -0.06385 115 2S 0.00000 0.32130 -0.18230 -0.34222 -0.98148 116 13 C 1S 0.00000 0.03427 -0.03637 0.02077 -0.00451 117 2S 0.00000 0.41316 -0.46584 0.26606 -0.04445 118 2PX 0.00000 -0.08967 0.02056 0.02886 -0.06410 119 2PY 0.00000 0.15531 0.00477 0.02072 -0.00487 120 2PZ 0.01565 0.00000 0.00000 0.00000 0.00000 121 3S 0.00000 -2.21292 3.52267 -2.01198 0.87498 122 3PX 0.00000 0.99479 1.25708 1.58183 -0.83021 123 3PY 0.00000 -1.72302 0.11002 1.26497 -2.59681 124 3PZ 0.14481 0.00000 0.00000 0.00000 0.00000 125 4XX 0.00000 -0.15830 0.15357 0.17925 -0.02495 126 4YY 0.00000 -0.05346 0.06280 -0.30283 0.02781 127 4ZZ 0.00000 0.25645 -0.19240 0.10989 0.00741 128 4XY 0.00000 -0.10484 -0.21583 -0.05471 -0.07341 129 4XZ -0.19797 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.34290 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00000 0.00592 0.00069 0.01908 -0.02043 132 2S 0.00000 0.00910 0.15469 0.29769 -0.21681 133 2PX 0.00000 -0.02444 -0.10984 -0.16776 0.08656 134 2PY 0.00000 -0.10537 0.00446 -0.05290 -0.09932 135 2PZ -0.03094 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 1.30515 -1.41296 -1.01891 1.15784 137 3PX 0.00000 -1.11153 0.97400 -0.07617 -1.23147 138 3PY 0.00000 -0.53197 1.03726 0.78383 -1.30501 139 3PZ -0.09185 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 -0.08376 0.07016 -0.24701 -0.07042 141 4YY 0.00000 -0.11066 -0.00588 -0.01988 0.18433 142 4ZZ 0.00000 0.25181 -0.09025 0.34150 -0.16982 143 4XY 0.00000 0.00122 -0.13510 -0.22470 -0.02832 144 4XZ 0.19661 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.11429 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00182 -0.00754 0.01009 -0.02332 147 2S 0.00000 0.05148 -0.21863 -0.04429 -0.30306 148 2PX 0.00000 0.14204 0.00808 0.10460 0.02880 149 2PY 0.00000 -0.06186 0.09132 0.03253 0.11587 150 2PZ -0.01362 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 -1.38681 1.01078 -0.77013 0.49514 152 3PX 0.00000 0.86281 -0.96980 0.10853 0.26824 153 3PY 0.00000 0.69853 -0.70374 0.32094 -0.29192 154 3PZ -0.05310 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.11279 -0.01784 0.06154 0.20309 156 4YY 0.00000 -0.02429 -0.02687 -0.13262 -0.00144 157 4ZZ 0.00000 -0.13944 0.03013 0.00631 -0.28929 158 4XY 0.00000 -0.05661 0.04625 0.03063 -0.16373 159 4XZ 0.22927 0.00000 0.00000 0.00000 0.00000 160 4YZ -0.02854 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 -0.03288 0.01460 -0.00834 -0.00610 162 2S 0.00000 -0.48504 0.24684 -0.14098 -0.06603 163 2PX 0.00000 -0.05540 0.00100 -0.03919 -0.17377 164 2PY 0.00000 0.09595 -0.04013 0.00063 -0.06985 165 2PZ 0.02965 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 2.47797 -1.85402 1.05893 0.21440 167 3PX 0.00000 0.74056 -0.47131 0.37768 0.20517 168 3PY 0.00000 -1.28269 0.92423 -0.46524 0.01837 169 3PZ 0.15480 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.19495 0.04483 0.22580 0.11557 171 4YY 0.00000 0.08574 -0.15608 -0.16226 -0.03718 172 4ZZ 0.00000 -0.31036 0.09501 -0.05426 -0.10331 173 4XY 0.00000 0.10921 -0.08781 -0.11745 -0.01525 174 4XZ 0.14702 0.00000 0.00000 0.00000 0.00000 175 4YZ -0.25465 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00182 -0.01252 0.00136 0.02319 177 2S 0.00000 0.05149 -0.07292 0.21081 0.24976 178 2PX 0.00000 -0.01745 0.02708 0.11248 0.08207 179 2PY 0.00000 -0.15394 0.08366 0.00446 -0.11848 180 2PZ -0.01362 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 -1.38682 1.17686 -0.47934 -0.69540 182 3PX 0.00000 -1.03636 0.84212 -0.77381 -0.24746 183 3PY 0.00000 -0.39795 0.19067 -0.45411 0.32418 184 3PZ -0.05310 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 -0.03248 0.05775 0.02237 0.00070 186 4YY 0.00000 0.12098 -0.01925 0.05225 -0.22918 187 4ZZ 0.00000 -0.13944 0.00988 -0.02916 0.31568 188 4XY 0.00000 0.04024 -0.08277 -0.08091 0.05536 189 4XZ -0.08992 0.00000 0.00000 0.00000 0.00000 190 4YZ -0.21282 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00592 -0.01609 -0.01029 0.02644 192 2S 0.00000 0.00910 -0.17781 -0.28448 0.30155 193 2PX 0.00000 0.10347 -0.08576 -0.10986 -0.03393 194 2PY 0.00000 -0.03152 -0.05289 -0.14423 0.16604 195 2PZ -0.03094 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 1.30515 0.15975 1.73467 -0.81761 197 3PX 0.00000 1.01646 -0.15192 1.51871 -0.75518 198 3PY 0.00000 0.69663 -0.55944 0.04720 0.30287 199 3PZ -0.09185 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 -0.10303 0.16638 0.20053 -0.08102 201 4YY 0.00000 -0.09140 0.09615 -0.12031 -0.06985 202 4ZZ 0.00000 0.25181 -0.34000 -0.09576 0.23286 203 4XY 0.00000 0.01406 0.17958 0.14021 0.20019 204 4XZ -0.19728 0.00000 0.00000 0.00000 0.00000 205 4YZ -0.11312 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.16557 -0.32502 -0.12918 -0.03480 207 2S 0.00000 0.32130 -0.20522 0.32899 0.12502 208 20 H 1S 0.00000 -0.06726 0.04294 -0.08043 0.02606 209 2S 0.00000 -0.25984 0.24070 -0.20742 -0.04102 210 21 H 1S 0.00000 0.04400 -0.01658 0.00947 -0.01804 211 2S 0.00000 0.35699 -0.24231 0.13840 0.01517 212 22 H 1S 0.00000 -0.06726 0.09110 0.00388 0.03446 213 2S 0.00000 -0.25984 0.30095 -0.10194 -0.02064 214 23 H 1S 0.00000 0.16557 -0.05386 0.34558 0.09430 215 2S 0.00000 0.32130 -0.38763 0.00961 1.05924 216 24 C 1S 0.00000 0.03427 0.03617 0.02111 -0.00171 217 2S 0.00000 0.41316 0.46334 0.27039 -0.01682 218 2PX 0.00000 -0.08967 -0.02083 0.02866 -0.07320 219 2PY 0.00000 -0.15532 0.00496 -0.02067 0.03010 220 2PZ 0.01565 0.00000 0.00000 0.00000 0.00000 221 3S 0.00000 -2.21292 -3.50376 -2.04473 0.33116 222 3PX 0.00000 0.99479 -1.27177 1.57005 -2.01814 223 3PY 0.00000 1.72302 0.12179 -1.26388 1.96657 224 3PZ 0.14481 0.00000 0.00000 0.00000 0.00000 225 4XX 0.00000 -0.15830 -0.15523 0.17781 -0.00189 226 4YY 0.00000 -0.05346 -0.05998 -0.30341 0.00298 227 4ZZ 0.00000 0.25645 0.19137 0.11168 0.00281 228 4XY 0.00000 0.10484 -0.21633 0.05269 0.03282 229 4XZ -0.19797 0.00000 0.00000 0.00000 0.00000 230 4YZ -0.34290 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.00000 0.00592 0.01618 -0.01014 0.03286 232 2S 0.00000 0.00910 0.18046 -0.28281 0.36690 233 2PX 0.00000 0.10347 0.08679 -0.10906 -0.05023 234 2PY 0.00000 0.03152 -0.05423 0.14373 -0.20458 235 2PZ -0.03094 0.00000 0.00000 0.00000 0.00000 236 3S 0.00000 1.30515 -0.17592 1.73311 -1.27276 237 3PX 0.00000 1.01647 0.13776 1.52007 -1.50545 238 3PY 0.00000 -0.69663 -0.55897 -0.05241 -0.06045 239 3PZ -0.09185 0.00000 0.00000 0.00000 0.00000 240 4XX 0.00000 -0.10303 -0.16824 0.19897 -0.11864 241 4YY 0.00000 -0.09140 -0.09503 -0.12120 -0.06757 242 4ZZ 0.00000 0.25181 0.34088 -0.09259 0.28449 243 4XY 0.00000 -0.01406 0.18088 -0.13853 -0.24241 244 4XZ -0.19728 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.11312 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00182 0.01251 0.00148 0.03146 247 2S 0.00000 0.05148 0.07096 0.21149 0.36410 248 2PX 0.00000 -0.01745 -0.02812 0.11223 0.12704 249 2PY 0.00000 0.15394 0.08370 -0.00368 0.11871 250 2PZ -0.01362 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 -1.38681 -1.17234 -0.49030 -0.84374 252 3PX 0.00000 -1.03635 -0.83487 -0.78164 -0.27220 253 3PY 0.00000 0.39795 0.18643 0.45586 -0.46523 254 3PZ -0.05310 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 -0.03248 -0.05796 0.02183 0.03625 256 4YY 0.00000 0.12098 0.01876 0.05243 -0.33248 257 4ZZ 0.00000 -0.13944 -0.00960 -0.02925 0.41448 258 4XY 0.00000 -0.04024 -0.08352 0.08013 -0.03800 259 4XZ -0.08992 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.21282 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 -0.03288 -0.01452 -0.00847 -0.00231 262 2S 0.00000 -0.48504 -0.24551 -0.14328 -0.02499 263 2PX 0.00000 -0.05540 -0.00063 -0.03919 -0.22238 264 2PY 0.00000 -0.09595 -0.04012 -0.00100 0.11686 265 2PZ 0.02965 0.00000 0.00000 0.00000 0.00000 266 3S 0.00000 2.47797 1.84407 1.07617 0.08114 267 3PX 0.00000 0.74056 0.46777 0.38206 0.23549 268 3PY 0.00000 1.28269 0.91986 0.47384 -0.09808 269 3PZ 0.15480 0.00000 0.00000 0.00000 0.00000 270 4XX 0.00000 0.19495 -0.04694 0.22537 0.10519 271 4YY 0.00000 0.08574 0.15758 -0.16080 -0.07552 272 4ZZ 0.00000 -0.31036 -0.09450 -0.05515 -0.03910 273 4XY 0.00000 -0.10921 -0.08890 0.11663 0.04674 274 4XZ 0.14702 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.25465 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00182 0.00744 0.01016 -0.03151 277 2S 0.00000 0.05149 0.21903 -0.04225 -0.38428 278 2PX 0.00000 0.14204 -0.00906 0.10452 -0.00508 279 2PY 0.00000 0.06186 0.09162 -0.03167 -0.16391 280 2PZ -0.01362 0.00000 0.00000 0.00000 0.00000 281 3S 0.00000 -1.38682 -1.00355 -0.77952 0.76796 282 3PX 0.00000 0.86281 0.96874 0.11756 0.30889 283 3PY 0.00000 -0.69854 -0.70071 -0.32749 0.43639 284 3PZ -0.05310 0.00000 0.00000 0.00000 0.00000 285 4XX 0.00000 0.11279 0.01726 0.06170 0.23938 286 4YY 0.00000 -0.02429 0.02810 -0.13236 0.04668 287 4ZZ 0.00000 -0.13944 -0.03019 0.00603 -0.40450 288 4XY 0.00000 0.05661 0.04653 -0.03020 0.21135 289 4XZ 0.22927 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.02854 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00592 -0.00087 0.01908 -0.03059 292 2S 0.00000 0.00910 -0.15746 0.29623 -0.33483 293 2PX 0.00000 -0.02444 0.11140 -0.16673 0.13682 294 2PY 0.00000 0.10537 0.00397 0.05294 0.14084 295 2PZ -0.03094 0.00000 0.00000 0.00000 0.00000 296 3S 0.00000 1.30515 1.42239 -1.00568 1.40152 297 3PX 0.00000 -1.11153 -0.97324 -0.08525 -1.12281 298 3PY 0.00000 0.53197 1.04452 -0.77412 1.52305 299 3PZ -0.09185 0.00000 0.00000 0.00000 0.00000 300 4XX 0.00000 -0.08376 -0.06786 -0.24765 -0.09879 301 4YY 0.00000 -0.11066 0.00606 -0.01982 0.27101 302 4ZZ 0.00000 0.25181 0.08707 0.34233 -0.26064 303 4XY 0.00000 -0.00121 -0.13719 0.22343 0.07062 304 4XZ 0.19661 0.00000 0.00000 0.00000 0.00000 305 4YZ -0.11429 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.00000 0.16557 0.05064 0.34607 0.09865 307 2S 0.00000 0.32130 0.38752 0.01323 0.85646 308 31 H 1S 0.00000 -0.06726 -0.09113 0.00303 0.01714 309 2S 0.00000 -0.25984 -0.29998 -0.10474 0.00212 310 32 H 1S 0.00000 0.04400 0.01649 0.00962 -0.00683 311 2S 0.00000 0.35699 0.24101 0.14065 0.00574 312 33 H 1S 0.00000 -0.06726 -0.04219 -0.08083 0.00577 313 2S 0.00000 -0.25984 -0.23876 -0.20966 -0.02546 314 34 H 1S 0.00000 0.16557 0.32621 -0.12615 -0.07612 315 2S 0.00000 0.32130 0.20214 0.33089 -0.40825 251 252 253 254 255 (E')--V (E")--V (E")--V (A')--V (A")--V Eigenvalues -- 2.08013 2.08304 2.08304 2.10101 2.10859 1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 2PX -0.03288 0.00000 0.00000 0.00000 0.00000 4 2PY -0.12632 0.00000 0.00000 -0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 6 3S -0.00000 0.00000 0.00000 -0.00001 0.00000 7 3PX 0.95318 0.00000 0.00000 -0.00000 0.00000 8 3PY 3.66163 0.00000 0.00000 0.00000 0.00000 9 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 10 4XX -0.01108 0.00000 0.00000 -0.00000 0.00000 11 4YY 0.01108 0.00000 0.00000 -0.00000 0.00000 12 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 4XY 0.04914 0.00000 0.00000 -0.00000 0.00000 14 4XZ 0.00000 -0.25841 -0.00091 0.00000 0.00000 15 4YZ 0.00000 -0.00091 0.25841 0.00000 -0.00000 16 2 C 1S 0.00162 0.00000 0.00000 -0.00000 0.00000 17 2S 0.01595 0.00000 0.00000 0.00000 0.00000 18 2PX -0.00999 0.00000 0.00000 -0.00000 0.00000 19 2PY -0.07875 0.00000 0.00000 -0.06218 0.00000 20 2PZ 0.00000 -0.00178 -0.00001 0.00000 -0.00000 21 3S -0.31397 0.00000 0.00000 0.00000 0.00000 22 3PX 0.65804 0.00000 0.00000 -0.00000 0.00000 23 3PY -2.74151 0.00000 0.00000 1.35030 0.00000 24 3PZ 0.00000 0.00816 0.00003 0.00000 -0.00000 25 4XX -0.02500 0.00000 0.00000 -0.00000 0.00000 26 4YY 0.02398 0.00000 0.00000 -0.00000 0.00000 27 4ZZ -0.00266 0.00000 0.00000 0.00000 0.00000 28 4XY -0.01403 0.00000 0.00000 0.12107 0.00000 29 4XZ 0.00000 -0.31200 -0.00109 0.00000 -0.00000 30 4YZ 0.00000 -0.00097 0.27671 0.00000 0.33341 31 3 C 1S -0.03292 0.00000 0.00000 0.01289 0.00000 32 2S -0.36741 0.00000 0.00000 0.11348 0.00000 33 2PX -0.20273 0.00000 0.00000 0.09645 0.00000 34 2PY 0.05872 0.00000 0.00000 0.02958 0.00000 35 2PZ 0.00000 0.03185 -0.01900 0.00000 -0.02952 36 3S 1.28121 0.00000 0.00000 -0.39484 0.00000 37 3PX -0.80684 0.00000 0.00000 0.35632 0.00000 38 3PY -1.29123 0.00000 0.00000 0.96446 0.00000 39 3PZ 0.00000 -0.01859 0.02453 0.00000 0.00425 40 4XX 0.26230 0.00000 0.00000 -0.23050 0.00000 41 4YY -0.07576 0.00000 0.00000 0.21993 0.00000 42 4ZZ -0.28492 0.00000 0.00000 0.04294 0.00000 43 4XY 0.14738 0.00000 0.00000 -0.06920 0.00000 44 4XZ 0.00000 -0.01011 0.24578 0.00000 0.21184 45 4YZ 0.00000 -0.08984 0.07329 0.00000 0.10510 46 4 C 1S -0.03158 0.00000 0.00000 0.01678 0.00000 47 2S -0.36606 0.00000 0.00000 0.27762 0.00000 48 2PX 0.16636 0.00000 0.00000 -0.10241 0.00000 49 2PY 0.05161 0.00000 0.00000 -0.08703 0.00000 50 2PZ 0.00000 0.01131 -0.05778 0.00000 -0.05692 51 3S 0.84487 0.00000 0.00000 -0.41523 0.00000 52 3PX -0.54089 0.00000 0.00000 0.37554 0.00000 53 3PY -0.00168 0.00000 0.00000 -0.06524 0.00000 54 3PZ 0.00000 0.14123 -0.10540 0.00000 -0.08777 55 4XX 0.26940 0.00000 0.00000 -0.12290 0.00000 56 4YY 0.02768 0.00000 0.00000 0.00522 0.00000 57 4ZZ -0.41579 0.00000 0.00000 0.23439 0.00000 58 4XY -0.16702 0.00000 0.00000 0.17815 0.00000 59 4XZ 0.00000 0.10248 0.01343 0.00000 -0.03724 60 4YZ 0.00000 -0.27802 0.22868 0.00000 0.21607 61 5 C 1S 0.00219 0.00000 0.00000 0.00000 0.00000 62 2S 0.02369 0.00000 0.00000 0.00000 0.00000 63 2PX -0.00947 0.00000 0.00000 -0.00000 0.00000 64 2PY -0.25197 0.00000 0.00000 0.17253 0.00000 65 2PZ 0.00000 -0.03983 -0.00014 0.00000 0.00000 66 3S -0.07694 0.00000 0.00000 -0.00000 0.00000 67 3PX 0.03111 0.00000 0.00000 0.00000 0.00000 68 3PY 0.25395 0.00000 0.00000 -0.35671 0.00000 69 3PZ 0.00000 -0.23302 -0.00082 0.00000 0.00000 70 4XX -0.00447 0.00000 0.00000 -0.00000 0.00000 71 4YY -0.02366 0.00000 0.00000 -0.00000 0.00000 72 4ZZ 0.03707 0.00000 0.00000 0.00000 0.00000 73 4XY -0.11416 0.00000 0.00000 0.22393 0.00000 74 4XZ 0.00000 0.38400 0.00135 0.00000 -0.00000 75 4YZ 0.00000 -0.00140 0.39941 0.00000 0.40815 76 6 C 1S 0.03163 0.00000 0.00000 -0.01678 0.00000 77 2S 0.38519 0.00000 0.00000 -0.27762 0.00000 78 2PX -0.14565 0.00000 0.00000 0.10241 0.00000 79 2PY 0.07710 0.00000 0.00000 -0.08703 0.00000 80 2PZ 0.00000 0.01090 0.05785 0.00000 0.05692 81 3S -0.77300 0.00000 0.00000 0.41523 0.00000 82 3PX 0.53459 0.00000 0.00000 -0.37554 0.00000 83 3PY 0.04805 0.00000 0.00000 -0.06524 0.00000 84 3PZ 0.00000 0.14049 0.10638 0.00000 0.08777 85 4XX -0.25477 0.00000 0.00000 0.12290 0.00000 86 4YY -0.03267 0.00000 0.00000 -0.00522 0.00000 87 4ZZ 0.40633 0.00000 0.00000 -0.23439 0.00000 88 4XY -0.20178 0.00000 0.00000 0.17815 0.00000 89 4XZ 0.00000 0.10257 -0.01271 0.00000 0.03724 90 4YZ 0.00000 0.27641 0.23062 0.00000 0.21607 91 7 C 1S 0.03077 0.00000 0.00000 -0.01289 0.00000 92 2S 0.33700 0.00000 0.00000 -0.11348 0.00000 93 2PX 0.19144 0.00000 0.00000 -0.09645 0.00000 94 2PY 0.04855 0.00000 0.00000 0.02958 0.00000 95 2PZ 0.00000 0.03171 0.01923 0.00000 0.02952 96 3S -1.40331 0.00000 0.00000 0.39485 0.00000 97 3PX 0.76182 0.00000 0.00000 -0.35632 0.00000 98 3PY -1.72773 0.00000 0.00000 0.96446 0.00000 99 3PZ 0.00000 -0.01842 -0.02466 0.00000 -0.00425 100 4XX -0.23326 0.00000 0.00000 0.23050 0.00000 101 4YY 0.05999 0.00000 0.00000 -0.21993 0.00000 102 4ZZ 0.26230 0.00000 0.00000 -0.04294 0.00000 103 4XY 0.15009 0.00000 0.00000 -0.06920 0.00000 104 4XZ 0.00000 -0.00838 -0.24584 0.00000 -0.21184 105 4YZ 0.00000 0.08932 0.07392 0.00000 0.10510 106 8 H 1S -0.09840 0.00000 0.00000 0.20658 0.00000 107 2S -0.84726 0.00000 0.00000 0.57461 0.00000 108 9 H 1S -0.01656 0.00000 0.00000 0.04288 0.00000 109 2S -0.00278 0.00000 0.00000 -0.03565 0.00000 110 10 H 1S 0.00647 0.00000 0.00000 0.00000 0.00000 111 2S -0.00544 0.00000 0.00000 -0.00000 0.00000 112 11 H 1S -0.00515 0.00000 0.00000 -0.04288 0.00000 113 2S 0.02491 0.00000 0.00000 0.03565 0.00000 114 12 H 1S 0.07704 0.00000 0.00000 -0.20658 0.00000 115 2S 0.42230 0.00000 0.00000 -0.57461 0.00000 116 13 C 1S 0.00457 0.00000 0.00000 -0.00000 0.00000 117 2S 0.04509 0.00000 0.00000 0.00000 0.00000 118 2PX -0.03536 0.00000 0.00000 0.05385 0.00000 119 2PY -0.05301 0.00000 0.00000 0.03109 0.00000 120 2PZ 0.00000 0.00089 0.00155 0.00000 -0.00000 121 3S -0.88756 0.00000 0.00000 0.00000 0.00000 122 3PX -2.65242 0.00000 0.00000 -1.16939 0.00000 123 3PY 0.61653 0.00000 0.00000 -0.67515 0.00000 124 3PZ 0.00000 -0.00406 -0.00709 0.00000 -0.00000 125 4XX 0.04079 0.00000 0.00000 0.09080 0.00000 126 4YY -0.04370 0.00000 0.00000 -0.09080 0.00000 127 4ZZ -0.00752 0.00000 0.00000 0.00000 0.00000 128 4XY 0.06414 0.00000 0.00000 -0.06053 0.00000 129 4XZ 0.00000 -0.28548 -0.01628 0.00000 -0.28874 130 4YZ 0.00000 0.01422 0.30323 0.00000 -0.16670 131 14 C 1S -0.02615 0.00000 0.00000 -0.01289 0.00000 132 2S -0.29849 0.00000 0.00000 -0.11348 0.00000 133 2PX 0.12560 0.00000 0.00000 0.02261 0.00000 134 2PY -0.11100 0.00000 0.00000 -0.09831 0.00000 135 2PZ 0.00000 0.00080 -0.03708 0.00000 0.02952 136 3S 0.80118 0.00000 0.00000 0.39485 0.00000 137 3PX -0.09774 0.00000 0.00000 -0.65709 0.00000 138 3PY -0.78690 0.00000 0.00000 -0.79081 0.00000 139 3PZ 0.00000 -0.01214 0.02828 0.00000 -0.00425 140 4XX -0.07651 0.00000 0.00000 -0.15922 0.00000 141 4YY 0.22576 0.00000 0.00000 0.16980 0.00000 142 4ZZ -0.23046 0.00000 0.00000 -0.04294 0.00000 143 4XY -0.09412 0.00000 0.00000 -0.19062 0.00000 144 4XZ 0.00000 0.08760 0.03391 0.00000 0.01490 145 4YZ 0.00000 -0.19043 0.16990 0.00000 -0.23600 146 15 C 1S -0.02286 0.00000 0.00000 -0.01678 0.00000 147 2S -0.24546 0.00000 0.00000 -0.27762 0.00000 148 2PX -0.06199 0.00000 0.00000 0.02416 0.00000 149 2PY 0.12868 0.00000 0.00000 0.13220 0.00000 150 2PZ 0.00000 0.04465 -0.03837 0.00000 0.05692 151 3S 0.68840 0.00000 0.00000 0.41523 0.00000 152 3PX 0.15320 0.00000 0.00000 0.24427 0.00000 153 3PY -0.37226 0.00000 0.00000 -0.29261 0.00000 154 3PZ 0.00000 0.02189 -0.17486 0.00000 0.08777 155 4XX 0.12731 0.00000 0.00000 0.16042 0.00000 156 4YY 0.09833 0.00000 0.00000 -0.04274 0.00000 157 4ZZ -0.31158 0.00000 0.00000 -0.23439 0.00000 158 4XY -0.14030 0.00000 0.00000 -0.15314 0.00000 159 4XZ 0.00000 -0.02213 0.34841 0.00000 -0.20574 160 4YZ 0.00000 -0.08471 0.10592 0.00000 -0.07579 161 16 C 1S 0.00619 0.00000 0.00000 0.00000 0.00000 162 2S 0.06698 0.00000 0.00000 0.00000 0.00000 163 2PX -0.14492 0.00000 0.00000 -0.14941 0.00000 164 2PY -0.11458 0.00000 0.00000 -0.08626 0.00000 165 2PZ 0.00000 0.01980 0.03457 0.00000 0.00000 166 3S -0.21748 0.00000 0.00000 -0.00000 0.00000 167 3PX 0.11559 0.00000 0.00000 0.30892 0.00000 168 3PY 0.16825 0.00000 0.00000 0.17835 0.00000 169 3PZ 0.00000 0.11580 0.20221 0.00000 0.00000 170 4XX 0.00878 0.00000 0.00000 0.16795 0.00000 171 4YY -0.08830 0.00000 0.00000 -0.16795 0.00000 172 4ZZ 0.10480 0.00000 0.00000 0.00000 0.00000 173 4XY -0.06854 0.00000 0.00000 -0.11196 0.00000 174 4XZ 0.00000 -0.20475 0.33851 0.00000 -0.35347 175 4YZ 0.00000 -0.33857 -0.18934 0.00000 -0.20408 176 17 C 1S 0.02299 0.00000 0.00000 0.01678 0.00000 177 2S 0.29952 0.00000 0.00000 0.27762 0.00000 178 2PX 0.11359 0.00000 0.00000 0.12657 0.00000 179 2PY -0.03131 0.00000 0.00000 -0.04517 0.00000 180 2PZ 0.00000 -0.05569 0.01910 0.00000 -0.05692 181 3S -0.48527 0.00000 0.00000 -0.41523 0.00000 182 3PX -0.11518 0.00000 0.00000 -0.13128 0.00000 183 3PY 0.37368 0.00000 0.00000 0.35785 0.00000 184 3PZ 0.00000 -0.16189 -0.06961 0.00000 -0.08777 185 4XX 0.07310 0.00000 0.00000 0.10681 0.00000 186 4YY -0.27151 0.00000 0.00000 -0.22448 0.00000 187 4ZZ 0.28482 0.00000 0.00000 0.23439 0.00000 188 4XY -0.02119 0.00000 0.00000 -0.02501 0.00000 189 4XZ 0.00000 -0.27209 -0.06176 0.00000 -0.16850 190 4YZ 0.00000 -0.20283 -0.14589 0.00000 -0.14028 191 18 C 1S 0.02005 0.00000 0.00000 0.01289 0.00000 192 2S 0.21252 0.00000 0.00000 0.11348 0.00000 193 2PX -0.04226 0.00000 0.00000 -0.07384 0.00000 194 2PY 0.12227 0.00000 0.00000 0.06874 0.00000 195 2PZ 0.00000 -0.03238 -0.01808 0.00000 -0.02952 196 3S -1.14629 0.00000 0.00000 -0.39484 0.00000 197 3PX -1.73530 0.00000 0.00000 -1.01340 0.00000 198 3PY -0.41834 0.00000 0.00000 -0.17365 0.00000 199 3PZ 0.00000 0.03054 0.00384 0.00000 0.00425 200 4XX -0.09826 0.00000 0.00000 0.05542 0.00000 201 4YY -0.01351 0.00000 0.00000 -0.06599 0.00000 202 4ZZ 0.16651 0.00000 0.00000 0.04294 0.00000 203 4XY 0.13869 0.00000 0.00000 0.25982 0.00000 204 4XZ 0.00000 -0.20282 0.02142 0.00000 -0.19694 205 4YZ 0.00000 0.13451 -0.11943 0.00000 0.13091 206 19 H 1S -0.09381 0.00000 0.00000 -0.20658 0.00000 207 2S -1.06113 0.00000 0.00000 -0.57461 0.00000 208 20 H 1S -0.03483 0.00000 0.00000 -0.04288 0.00000 209 2S 0.02123 0.00000 0.00000 0.03565 0.00000 210 21 H 1S 0.01830 0.00000 0.00000 0.00000 0.00000 211 2S -0.01538 0.00000 0.00000 -0.00000 0.00000 212 22 H 1S -0.02655 0.00000 0.00000 0.04288 0.00000 213 2S 0.04131 0.00000 0.00000 -0.03565 0.00000 214 23 H 1S 0.03346 0.00000 0.00000 0.20658 0.00000 215 2S -0.14015 0.00000 0.00000 0.57461 0.00000 216 24 C 1S -0.00619 0.00000 0.00000 -0.00000 0.00000 217 2S -0.06104 0.00000 0.00000 0.00000 0.00000 218 2PX -0.00039 0.00000 0.00000 -0.05385 0.00000 219 2PY -0.04391 0.00000 0.00000 0.03109 0.00000 220 2PZ 0.00000 0.00090 -0.00154 0.00000 -0.00000 221 3S 1.20153 0.00000 0.00000 0.00000 0.00000 222 3PX 1.91096 0.00000 0.00000 1.16940 0.00000 223 3PY 1.80446 0.00000 0.00000 -0.67515 0.00000 224 3PZ 0.00000 -0.00411 0.00706 0.00000 -0.00000 225 4XX -0.04778 0.00000 0.00000 -0.09080 0.00000 226 4YY 0.05171 0.00000 0.00000 0.09080 0.00000 227 4ZZ 0.01018 0.00000 0.00000 0.00000 0.00000 228 4XY 0.09179 0.00000 0.00000 -0.06053 0.00000 229 4XZ 0.00000 -0.28558 0.01428 0.00000 0.28874 230 4YZ 0.00000 -0.01635 0.30313 0.00000 -0.16670 231 25 C 1S -0.00462 0.00000 0.00000 -0.01289 0.00000 232 2S -0.03852 0.00000 0.00000 -0.11348 0.00000 233 2PX 0.02035 0.00000 0.00000 0.07384 0.00000 234 2PY 0.02579 0.00000 0.00000 0.06874 0.00000 235 2PZ 0.00000 -0.03251 0.01785 0.00000 0.02952 236 3S 0.60213 0.00000 0.00000 0.39485 0.00000 237 3PX 1.14683 0.00000 0.00000 1.01340 0.00000 238 3PY -0.51292 0.00000 0.00000 -0.17365 0.00000 239 3PZ 0.00000 0.03057 -0.00362 0.00000 -0.00425 240 4XX 0.04628 0.00000 0.00000 -0.05542 0.00000 241 4YY -0.02226 0.00000 0.00000 0.06599 0.00000 242 4ZZ -0.03184 0.00000 0.00000 -0.04294 0.00000 243 4XY 0.02348 0.00000 0.00000 0.25982 0.00000 244 4XZ 0.00000 -0.20266 -0.02285 0.00000 0.19694 245 4YZ 0.00000 -0.13367 -0.12036 0.00000 0.13091 246 26 C 1S -0.00877 0.00000 0.00000 -0.01678 0.00000 247 2S -0.13972 0.00000 0.00000 -0.27762 0.00000 248 2PX -0.05915 0.00000 0.00000 -0.12657 0.00000 249 2PY 0.03044 0.00000 0.00000 -0.04518 0.00000 250 2PZ 0.00000 -0.05556 -0.01948 0.00000 0.05692 251 3S 0.08460 0.00000 0.00000 0.41523 0.00000 252 3PX -0.02010 0.00000 0.00000 0.13128 0.00000 253 3PY 0.16818 0.00000 0.00000 0.35785 0.00000 254 3PZ 0.00000 -0.16238 0.06848 0.00000 0.08777 255 4XX -0.06349 0.00000 0.00000 -0.10681 0.00000 256 4YY 0.12530 0.00000 0.00000 0.22448 0.00000 257 4ZZ -0.09475 0.00000 0.00000 -0.23439 0.00000 258 4XY -0.04550 0.00000 0.00000 -0.02501 0.00000 259 4XZ 0.00000 -0.27252 0.05985 0.00000 0.16850 260 4YZ 0.00000 0.20384 -0.14447 0.00000 -0.14028 261 27 C 1S -0.00838 0.00000 0.00000 0.00000 0.00000 262 2S -0.09067 0.00000 0.00000 0.00000 0.00000 263 2PX 0.04179 0.00000 0.00000 0.14941 0.00000 264 2PY -0.06598 0.00000 0.00000 -0.08626 0.00000 265 2PZ 0.00000 0.02004 -0.03443 0.00000 0.00000 266 3S 0.29442 0.00000 0.00000 -0.00000 0.00000 267 3PX -0.00087 0.00000 0.00000 -0.30892 0.00000 268 3PY 0.13794 0.00000 0.00000 0.17835 0.00000 269 3PZ 0.00000 0.11722 -0.20139 0.00000 0.00000 270 4XX 0.04868 0.00000 0.00000 -0.16795 0.00000 271 4YY 0.05897 0.00000 0.00000 0.16795 0.00000 272 4ZZ -0.14187 0.00000 0.00000 0.00000 0.00000 273 4XY -0.05240 0.00000 0.00000 -0.11196 0.00000 274 4XZ 0.00000 -0.20237 -0.33994 0.00000 0.35347 275 4YZ 0.00000 0.33988 -0.18696 0.00000 -0.20408 276 28 C 1S 0.00859 0.00000 0.00000 0.01678 0.00000 277 2S 0.06654 0.00000 0.00000 0.27762 0.00000 278 2PX 0.06816 0.00000 0.00000 -0.02416 0.00000 279 2PY 0.05585 0.00000 0.00000 0.13220 0.00000 280 2PZ 0.00000 0.04438 0.03868 0.00000 -0.05692 281 3S -0.35960 0.00000 0.00000 -0.41523 0.00000 282 3PX -0.00296 0.00000 0.00000 -0.24427 0.00000 283 3PY -0.18268 0.00000 0.00000 -0.29261 0.00000 284 3PZ 0.00000 0.02066 0.17501 0.00000 -0.08777 285 4XX -0.01212 0.00000 0.00000 -0.16042 0.00000 286 4YY -0.08655 0.00000 0.00000 0.04274 0.00000 287 4ZZ 0.13097 0.00000 0.00000 0.23439 0.00000 288 4XY -0.04266 0.00000 0.00000 -0.15314 0.00000 289 4XZ 0.00000 -0.01968 -0.34855 0.00000 0.20574 290 4YZ 0.00000 0.08396 0.10651 0.00000 -0.07579 291 29 C 1S 0.01287 0.00000 0.00000 0.01289 0.00000 292 2S 0.15489 0.00000 0.00000 0.11348 0.00000 293 2PX -0.06745 0.00000 0.00000 -0.02261 0.00000 294 2PY -0.04848 0.00000 0.00000 -0.09831 0.00000 295 2PZ 0.00000 0.00054 0.03708 0.00000 -0.02952 296 3S -0.13493 0.00000 0.00000 -0.39484 0.00000 297 3PX -0.51512 0.00000 0.00000 0.65709 0.00000 298 3PY -0.05071 0.00000 0.00000 -0.79081 0.00000 299 3PZ 0.00000 -0.01195 -0.02837 0.00000 0.00425 300 4XX 0.03246 0.00000 0.00000 0.15922 0.00000 301 4YY -0.10723 0.00000 0.00000 -0.16980 0.00000 302 4ZZ 0.11841 0.00000 0.00000 0.04294 0.00000 303 4XY -0.06836 0.00000 0.00000 -0.19062 0.00000 304 4XZ 0.00000 0.08783 -0.03329 0.00000 -0.01490 305 4YZ 0.00000 0.18923 0.17123 0.00000 -0.23600 306 30 H 1S 0.01677 0.00000 0.00000 -0.20658 0.00000 307 2S 0.63884 0.00000 0.00000 -0.57461 0.00000 308 31 H 1S 0.03998 0.00000 0.00000 -0.04288 0.00000 309 2S -0.04614 0.00000 0.00000 0.03565 0.00000 310 32 H 1S -0.02477 0.00000 0.00000 0.00000 0.00000 311 2S 0.02082 0.00000 0.00000 -0.00000 0.00000 312 33 H 1S 0.04312 0.00000 0.00000 0.04288 0.00000 313 2S -0.03853 0.00000 0.00000 -0.03565 0.00000 314 34 H 1S 0.06494 0.00000 0.00000 0.20658 0.00000 315 2S 0.98740 0.00000 0.00000 0.57461 0.00000 256 257 258 259 260 (E")--V (E")--V (A")--V (E")--V (E")--V Eigenvalues -- 2.12362 2.12362 2.15044 2.17007 2.17007 1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 5 2PZ 0.00000 -0.00000 0.03466 -0.00000 0.00000 6 3S 0.00000 0.00000 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 3PZ -0.00000 0.00000 -0.07569 0.00000 -0.00000 10 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 11 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 12 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ -0.19312 0.00121 -0.00000 -0.21968 0.00275 15 4YZ -0.00121 -0.19312 -0.00000 -0.00275 -0.21968 16 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 17 2S 0.00000 0.00000 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 19 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 20 2PZ 0.00606 -0.00004 -0.02237 0.06449 -0.00081 21 3S 0.00000 0.00000 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 24 3PZ 0.10211 -0.00064 0.14289 -0.05339 0.00067 25 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 26 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 27 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ -0.07488 0.00047 0.12253 -0.16283 0.00204 30 4YZ 0.00202 0.32152 0.00000 0.00168 0.13416 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00000 0.00000 0.00000 0.00000 33 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 34 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.00731 -0.03420 -0.02571 0.05306 -0.01567 36 3S 0.00000 0.00000 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 39 3PZ -0.13613 0.00456 -0.17143 0.16107 -0.01399 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ -0.12572 0.17439 -0.25724 0.45907 0.04450 45 4YZ 0.06432 0.10618 0.12571 -0.04210 0.04144 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.02154 -0.05039 0.03096 -0.04420 -0.01852 51 3S 0.00000 0.00000 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 3PZ 0.24591 -0.07710 0.22174 -0.16203 -0.01847 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ -0.04736 -0.05556 -0.23034 0.47386 -0.05103 60 4YZ -0.36073 0.19375 -0.23370 0.01747 0.07357 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ -0.03606 0.00023 -0.00011 -0.05841 0.00073 66 3S 0.00000 0.00000 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 3PZ -0.30896 0.00194 -0.21708 0.07174 -0.00090 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.46780 -0.00293 0.29544 -0.03661 0.00046 75 4YZ 0.00236 0.37576 0.00000 0.00192 0.15356 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.02217 0.05012 0.03096 -0.04373 0.01962 81 3S 0.00000 0.00000 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PZ 0.24686 0.07401 0.22174 -0.16151 0.02252 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ -0.04666 0.05615 -0.23034 0.47499 0.03916 90 4YZ 0.36313 0.18921 0.23370 -0.01562 0.07399 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00774 0.03411 -0.02571 0.05343 0.01434 96 3S 0.00000 0.00000 0.00000 0.00000 0.00000 97 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 3PZ -0.13617 -0.00285 -0.17142 0.16137 0.00996 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ -0.12789 -0.17280 -0.25724 0.45781 -0.05597 105 4YZ -0.06298 0.10698 -0.12571 0.04312 0.04038 106 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 0.00000 0.00000 0.00000 0.00000 108 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2S 0.00000 0.00000 0.00000 0.00000 0.00000 110 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 113 2S 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PZ -0.00300 0.00527 -0.02237 -0.03155 0.05625 121 3S 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PZ -0.05050 0.08875 0.14289 0.02612 -0.04657 125 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4XZ 0.22350 0.17025 -0.06126 0.06152 0.12785 130 4YZ 0.17180 0.02315 0.10611 0.12749 -0.09019 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ -0.03341 -0.01035 -0.02571 -0.03913 0.03910 136 3S 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ 0.07055 -0.11651 -0.17142 -0.08931 0.13477 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ -0.05384 0.10574 0.23748 0.13917 -0.22708 145 4YZ 0.21556 0.03292 -0.15992 -0.12800 0.35901 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ -0.05449 -0.00585 0.03096 0.00487 -0.04768 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ -0.18753 0.17678 0.22174 0.06126 -0.15114 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.31180 -0.15617 -0.08722 0.18443 -0.15213 160 4YZ 0.15081 -0.16924 -0.31632 -0.20692 0.36454 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.01783 -0.03134 -0.00011 0.02857 -0.05095 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.15280 -0.26853 -0.21708 -0.03509 0.06257 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.39852 -0.04236 -0.14772 0.10705 0.08102 175 4YZ -0.03707 0.44504 0.25586 0.08248 0.00990 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.03287 0.04385 0.03096 0.03814 -0.02902 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ -0.05618 0.25151 0.22174 0.09701 -0.13108 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ -0.04678 0.36106 0.31755 0.15911 -0.19919 190 4YZ 0.05589 0.19317 -0.08263 -0.13069 0.38832 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.02596 0.02343 -0.02571 -0.01296 0.05378 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.06412 -0.12017 -0.17143 -0.06842 0.14648 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.15157 0.09578 0.01975 0.14689 -0.13814 205 4YZ -0.01430 -0.17111 -0.28563 -0.22473 0.35362 206 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 0.00000 0.00000 0.00000 0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 216 24 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 0.00000 0.00000 0.00000 0.00000 218 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 219 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 220 2PZ -0.00306 -0.00523 -0.02237 -0.03294 -0.05545 221 3S 0.00000 0.00000 0.00000 0.00000 0.00000 222 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 3PZ -0.05161 -0.08811 0.14289 0.02727 0.04591 225 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 226 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 227 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 229 4XZ 0.22135 -0.17304 -0.06126 0.05830 -0.12935 230 4YZ -0.17150 0.02530 -0.10611 -0.12971 -0.08698 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 0.00000 0.00000 0.00000 233 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 234 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 235 2PZ 0.02567 -0.02376 -0.02571 -0.01430 -0.05344 236 3S 0.00000 0.00000 0.00000 0.00000 0.00000 237 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 238 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 239 3PZ 0.06562 0.11936 -0.17142 -0.07206 -0.14473 240 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 241 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 242 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 243 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 244 4XZ 0.15036 -0.09767 0.01975 0.15030 0.13442 245 4YZ 0.01215 -0.17127 0.28563 0.23351 0.34789 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.03231 -0.04426 0.03096 0.03886 0.02806 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ -0.05933 -0.25079 0.22174 0.10026 0.12862 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ -0.05131 -0.36045 0.31755 0.16404 0.19514 260 4YZ -0.05347 0.19386 0.08263 0.14036 0.38493 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.01823 0.03112 -0.00011 0.02984 0.05022 266 3S 0.00000 0.00000 0.00000 0.00000 0.00000 267 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 268 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 269 3PZ 0.15616 0.26660 -0.21708 -0.03664 -0.06168 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.39902 0.03736 -0.14772 0.10498 -0.08367 275 4YZ 0.04265 0.44454 -0.25586 -0.08221 0.01196 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ -0.05441 0.00654 0.03096 0.00606 0.04754 281 3S 0.00000 0.00000 0.00000 0.00000 0.00000 282 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 283 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 284 3PZ -0.18973 -0.17441 0.22174 0.06502 0.14956 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.31373 0.15225 -0.08722 0.18818 0.14747 290 4YZ -0.15292 -0.16734 0.31633 0.21597 0.35925 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 0.00000 0.00000 0.00000 0.00000 293 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 294 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 295 2PZ -0.03327 0.01077 -0.02571 -0.04010 -0.03811 296 3S 0.00000 0.00000 0.00000 0.00000 0.00000 297 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 298 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 299 3PZ 0.07201 0.11561 -0.17143 -0.09265 -0.13249 300 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 301 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 303 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 304 4XZ -0.05516 -0.10506 0.23748 0.14481 0.22353 305 4YZ -0.21513 0.03562 0.15992 0.13694 0.35570 306 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 307 2S 0.00000 0.00000 0.00000 0.00000 0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 0.00000 0.00000 0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 0.00000 0.00000 0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S 0.00000 0.00000 0.00000 0.00000 0.00000 314 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 315 2S 0.00000 0.00000 0.00000 0.00000 0.00000 261 262 263 264 265 (A")--V (A')--V (E")--V (E")--V (E')--V Eigenvalues -- 2.22352 2.24209 2.29014 2.29014 2.30397 1 1 C 1S 0.00000 -0.13272 0.00000 0.00000 0.00000 2 2S 0.00000 -1.21874 0.00000 0.00000 -0.00000 3 2PX 0.00000 0.00000 0.00000 0.00000 0.11004 4 2PY 0.00000 0.00000 0.00000 0.00000 -0.15233 5 2PZ 0.04702 0.00000 -0.00000 -0.00000 0.00000 6 3S 0.00000 9.72628 0.00000 0.00000 -0.00000 7 3PX 0.00000 -0.00000 0.00000 0.00000 -4.85188 8 3PY 0.00000 -0.00000 0.00000 0.00000 6.71659 9 3PZ -0.05164 0.00000 -0.00000 0.00000 0.00000 10 4XX 0.00000 0.40203 0.00000 0.00000 -0.35019 11 4YY 0.00000 0.40203 0.00000 0.00000 0.35019 12 4ZZ 0.00000 -0.78825 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 -0.55977 14 4XZ 0.00000 0.00000 0.00166 0.45816 0.00000 15 4YZ 0.00000 0.00000 0.45816 -0.00166 0.00000 16 2 C 1S 0.00000 -0.01761 0.00000 0.00000 -0.00579 17 2S 0.00000 -0.15761 0.00000 0.00000 0.06454 18 2PX 0.00000 0.05363 0.00000 0.00000 0.03955 19 2PY 0.00000 -0.00000 0.00000 0.00000 0.11480 20 2PZ 0.04814 0.00000 0.00010 0.02712 0.00000 21 3S 0.00000 1.23226 0.00000 0.00000 -0.05621 22 3PX 0.00000 4.66004 0.00000 0.00000 -5.36868 23 3PY 0.00000 0.00000 0.00000 0.00000 -1.96686 24 3PZ 0.13025 0.00000 0.00061 0.16812 0.00000 25 4XX 0.00000 -0.00668 0.00000 0.00000 0.04864 26 4YY 0.00000 0.16610 0.00000 0.00000 -0.07238 27 4ZZ 0.00000 -0.18523 0.00000 0.00000 -0.00329 28 4XY 0.00000 -0.00000 0.00000 0.00000 0.15483 29 4XZ 0.25680 0.00000 0.00225 0.62113 0.00000 30 4YZ 0.00000 0.00000 -0.10287 0.00037 0.00000 31 3 C 1S 0.00000 0.02485 0.00000 0.00000 -0.01685 32 2S 0.00000 0.16552 0.00000 0.00000 -0.02525 33 2PX 0.00000 0.04042 0.00000 0.00000 -0.02538 34 2PY 0.00000 0.06801 0.00000 0.00000 0.00073 35 2PZ 0.01618 0.00000 0.01946 -0.00803 0.00000 36 3S 0.00000 -3.12045 0.00000 0.00000 3.36056 37 3PX 0.00000 -1.00850 0.00000 0.00000 0.68125 38 3PY 0.00000 1.86093 0.00000 0.00000 -2.55635 39 3PZ -0.05440 0.00000 0.01722 -0.13690 0.00000 40 4XX 0.00000 0.07725 0.00000 0.00000 -0.07431 41 4YY 0.00000 -0.30848 0.00000 0.00000 0.11430 42 4ZZ 0.00000 0.13972 0.00000 0.00000 -0.01612 43 4XY 0.00000 0.03958 0.00000 0.00000 -0.06713 44 4XZ 0.25683 0.00000 0.01581 0.18588 0.00000 45 4YZ 0.20376 0.00000 -0.02521 0.33200 0.00000 46 4 C 1S 0.00000 -0.01317 0.00000 0.00000 0.01156 47 2S 0.00000 -0.18905 0.00000 0.00000 0.14795 48 2PX 0.00000 0.00018 0.00000 0.00000 -0.00369 49 2PY 0.00000 0.01262 0.00000 0.00000 0.03683 50 2PZ -0.02190 0.00000 0.01278 -0.01703 0.00000 51 3S 0.00000 2.12927 0.00000 0.00000 -1.89714 52 3PX 0.00000 -0.87985 0.00000 0.00000 0.76932 53 3PY 0.00000 -0.84117 0.00000 0.00000 0.94593 54 3PZ 0.05717 0.00000 0.00735 0.11198 0.00000 55 4XX 0.00000 0.14319 0.00000 0.00000 -0.16652 56 4YY 0.00000 -0.08539 0.00000 0.00000 0.12360 57 4ZZ 0.00000 -0.04492 0.00000 0.00000 0.00930 58 4XY 0.00000 0.12848 0.00000 0.00000 -0.02507 59 4XZ 0.24654 0.00000 0.09404 0.13739 0.00000 60 4YZ -0.19597 0.00000 -0.06972 -0.21135 0.00000 61 5 C 1S 0.00000 -0.00115 0.00000 0.00000 -0.00032 62 2S 0.00000 0.13068 0.00000 0.00000 -0.11805 63 2PX 0.00000 -0.03992 0.00000 0.00000 0.03767 64 2PY 0.00000 -0.00000 0.00000 0.00000 0.06412 65 2PZ -0.06091 0.00000 -0.00019 -0.05283 0.00000 66 3S 0.00000 -1.22557 0.00000 0.00000 1.14947 67 3PX 0.00000 0.88897 0.00000 0.00000 -0.80839 68 3PY 0.00000 -0.00000 0.00000 0.00000 0.06371 69 3PZ -0.11973 0.00000 -0.00051 -0.14008 0.00000 70 4XX 0.00000 0.12725 0.00000 0.00000 -0.13249 71 4YY 0.00000 -0.03402 0.00000 0.00000 0.06063 72 4ZZ 0.00000 -0.07848 0.00000 0.00000 0.05240 73 4XY 0.00000 0.00000 0.00000 0.00000 -0.05588 74 4XZ 0.20450 0.00000 0.00074 0.20494 0.00000 75 4YZ 0.00000 0.00000 -0.15834 0.00057 0.00000 76 6 C 1S 0.00000 -0.01317 0.00000 0.00000 0.00944 77 2S 0.00000 -0.18905 0.00000 0.00000 0.17371 78 2PX 0.00000 0.00018 0.00000 0.00000 -0.02112 79 2PY 0.00000 -0.01262 0.00000 0.00000 0.02993 80 2PZ -0.02190 0.00000 -0.01290 -0.01694 0.00000 81 3S 0.00000 2.12927 0.00000 0.00000 -1.75941 82 3PX 0.00000 -0.87985 0.00000 0.00000 0.76069 83 3PY 0.00000 0.84117 0.00000 0.00000 -0.68437 84 3PZ 0.05717 0.00000 -0.00653 0.11203 0.00000 85 4XX 0.00000 0.14319 0.00000 0.00000 -0.12127 86 4YY 0.00000 -0.08539 0.00000 0.00000 0.06175 87 4ZZ 0.00000 -0.04492 0.00000 0.00000 0.05841 88 4XY 0.00000 -0.12848 0.00000 0.00000 0.19815 89 4XZ 0.24654 0.00000 -0.09304 0.13807 0.00000 90 4YZ 0.19597 0.00000 -0.06819 0.21185 0.00000 91 7 C 1S 0.00000 0.02485 0.00000 0.00000 -0.03044 92 2S 0.00000 0.16552 0.00000 0.00000 -0.25177 93 2PX 0.00000 0.04041 0.00000 0.00000 0.04139 94 2PY 0.00000 -0.06801 0.00000 0.00000 0.02155 95 2PZ 0.01618 0.00000 -0.01952 -0.00789 0.00000 96 3S 0.00000 -3.12045 0.00000 0.00000 2.14008 97 3PX 0.00000 -1.00850 0.00000 0.00000 0.98354 98 3PY 0.00000 -1.86093 0.00000 0.00000 1.60401 99 3PZ -0.05440 0.00000 -0.01821 -0.13677 0.00000 100 4XX 0.00000 0.07725 0.00000 0.00000 -0.10096 101 4YY 0.00000 -0.30848 0.00000 0.00000 0.40320 102 4ZZ 0.00000 0.13972 0.00000 0.00000 -0.22495 103 4XY 0.00000 -0.03958 0.00000 0.00000 0.09598 104 4XZ 0.25683 0.00000 -0.01446 0.18599 0.00000 105 4YZ -0.20376 0.00000 -0.02762 -0.33180 0.00000 106 8 H 1S 0.00000 0.04347 0.00000 0.00000 -0.13912 107 2S 0.00000 -0.64019 0.00000 0.00000 0.73857 108 9 H 1S 0.00000 -0.00947 0.00000 0.00000 0.05730 109 2S 0.00000 0.26109 0.00000 0.00000 -0.24228 110 10 H 1S 0.00000 -0.13537 0.00000 0.00000 0.12709 111 2S 0.00000 -0.15199 0.00000 0.00000 0.13489 112 11 H 1S 0.00000 -0.00947 0.00000 0.00000 -0.07123 113 2S 0.00000 0.26109 0.00000 0.00000 -0.29126 114 12 H 1S 0.00000 0.04346 0.00000 0.00000 -0.05249 115 2S 0.00000 -0.64019 0.00000 0.00000 1.63050 116 13 C 1S 0.00000 -0.01761 0.00000 0.00000 0.00984 117 2S 0.00000 -0.15761 0.00000 0.00000 -0.10964 118 2PX 0.00000 -0.02681 0.00000 0.00000 0.02111 119 2PY 0.00000 0.04644 0.00000 0.00000 -0.06540 120 2PZ 0.04814 0.00000 0.02343 -0.01364 0.00000 121 3S 0.00000 1.23226 0.00000 0.00000 0.09548 122 3PX 0.00000 -2.33002 0.00000 0.00000 -4.34640 123 3PY 0.00000 4.03571 0.00000 0.00000 8.02223 124 3PZ 0.13025 0.00000 0.14529 -0.08459 0.00000 125 4XX 0.00000 0.12290 0.00000 0.00000 0.08615 126 4YY 0.00000 0.03652 0.00000 0.00000 -0.04582 127 4ZZ 0.00000 -0.18523 0.00000 0.00000 0.00559 128 4XY 0.00000 0.08639 0.00000 0.00000 0.09308 129 4XZ -0.12840 0.00000 -0.31322 0.07927 0.00000 130 4YZ 0.22239 0.00000 0.43899 -0.31510 0.00000 131 14 C 1S 0.00000 0.02485 0.00000 0.00000 0.03932 132 2S 0.00000 0.16552 0.00000 0.00000 0.22108 133 2PX 0.00000 0.03869 0.00000 0.00000 0.01881 134 2PY 0.00000 0.06900 0.00000 0.00000 -0.00001 135 2PZ 0.01618 0.00000 0.00293 0.02084 0.00000 136 3S 0.00000 -3.12045 0.00000 0.00000 -4.74906 137 3PX 0.00000 2.11587 0.00000 0.00000 3.80984 138 3PY 0.00000 0.05708 0.00000 0.00000 0.58864 139 3PZ -0.05440 0.00000 -0.10934 0.08416 0.00000 140 4XX 0.00000 -0.24174 0.00000 0.00000 -0.38183 141 4YY 0.00000 0.01051 0.00000 0.00000 0.10760 142 4ZZ 0.00000 0.13972 0.00000 0.00000 0.19165 143 4XY 0.00000 -0.17308 0.00000 0.00000 -0.21595 144 4XZ 0.04805 0.00000 0.15274 -0.12416 0.00000 145 4YZ 0.32431 0.00000 0.28252 -0.16460 0.00000 146 15 C 1S 0.00000 -0.01317 0.00000 0.00000 -0.01797 147 2S 0.00000 -0.18905 0.00000 0.00000 -0.27162 148 2PX 0.00000 0.01084 0.00000 0.00000 -0.01870 149 2PY 0.00000 0.00647 0.00000 0.00000 0.01228 150 2PZ -0.02190 0.00000 -0.00822 0.01964 0.00000 151 3S 0.00000 2.12927 0.00000 0.00000 3.11464 152 3PX 0.00000 -0.28855 0.00000 0.00000 -0.56344 153 3PY 0.00000 -1.18256 0.00000 0.00000 -1.82661 154 3PZ 0.05717 0.00000 0.10029 -0.05035 0.00000 155 4XX 0.00000 -0.12461 0.00000 0.00000 -0.19322 156 4YY 0.00000 0.18241 0.00000 0.00000 0.27920 157 4ZZ 0.00000 -0.04492 0.00000 0.00000 -0.05443 158 4XY 0.00000 -0.05005 0.00000 0.00000 -0.11494 159 4XZ -0.29299 0.00000 -0.27146 0.03482 0.00000 160 4YZ 0.11552 0.00000 0.03506 0.03343 0.00000 161 16 C 1S 0.00000 -0.00115 0.00000 0.00000 0.00054 162 2S 0.00000 0.13068 0.00000 0.00000 0.20055 163 2PX 0.00000 0.01996 0.00000 0.00000 0.02503 164 2PY 0.00000 -0.03458 0.00000 0.00000 -0.05945 165 2PZ -0.06091 0.00000 -0.04566 0.02658 0.00000 166 3S 0.00000 -1.22557 0.00000 0.00000 -1.95279 167 3PX 0.00000 -0.44449 0.00000 0.00000 -0.69360 168 3PY 0.00000 0.76987 0.00000 0.00000 1.18534 169 3PZ -0.11973 0.00000 -0.12106 0.07048 0.00000 170 4XX 0.00000 0.00630 0.00000 0.00000 -0.02625 171 4YY 0.00000 0.08693 0.00000 0.00000 0.14832 172 4ZZ 0.00000 -0.07848 0.00000 0.00000 -0.08903 173 4XY 0.00000 -0.08064 0.00000 0.00000 -0.16053 174 4XZ -0.10225 0.00000 -0.15755 -0.06695 0.00000 175 4YZ 0.17710 0.00000 0.11355 -0.15772 0.00000 176 17 C 1S 0.00000 -0.01317 0.00000 0.00000 -0.01771 177 2S 0.00000 -0.18905 0.00000 0.00000 -0.27485 178 2PX 0.00000 -0.01102 0.00000 0.00000 -0.00964 179 2PY 0.00000 -0.00616 0.00000 0.00000 0.02003 180 2PZ -0.02190 0.00000 -0.02114 -0.00255 0.00000 181 3S 0.00000 2.12927 0.00000 0.00000 3.09734 182 3PX 0.00000 1.16840 0.00000 0.00000 1.83462 183 3PY 0.00000 -0.34139 0.00000 0.00000 -0.44084 184 3PZ 0.05717 0.00000 0.09330 -0.06235 0.00000 185 4XX 0.00000 0.06811 0.00000 0.00000 0.09559 186 4YY 0.00000 -0.01032 0.00000 0.00000 -0.00754 187 4ZZ 0.00000 -0.04492 0.00000 0.00000 -0.06060 188 4XY 0.00000 -0.17853 0.00000 0.00000 -0.29782 189 4XZ 0.04645 0.00000 0.09234 -0.06874 0.00000 190 4YZ 0.31149 0.00000 0.13641 -0.21305 0.00000 191 18 C 1S 0.00000 0.02485 0.00000 0.00000 0.04103 192 2S 0.00000 0.16552 0.00000 0.00000 0.24953 193 2PX 0.00000 -0.07910 0.00000 0.00000 -0.00763 194 2PY 0.00000 0.00100 0.00000 0.00000 -0.02495 195 2PZ 0.01618 0.00000 -0.01668 -0.01284 0.00000 196 3S 0.00000 -3.12045 0.00000 0.00000 -4.59577 197 3PX 0.00000 -1.10736 0.00000 0.00000 -2.29214 198 3PY 0.00000 -1.80385 0.00000 0.00000 -2.97817 199 3PZ -0.05440 0.00000 -0.12717 0.05354 0.00000 200 4XX 0.00000 -0.18236 0.00000 0.00000 -0.20038 201 4YY 0.00000 -0.04887 0.00000 0.00000 -0.10678 202 4ZZ 0.00000 0.13972 0.00000 0.00000 0.21788 203 4XY 0.00000 -0.21266 0.00000 0.00000 -0.37432 204 4XZ -0.30488 0.00000 -0.33645 0.17817 0.00000 205 4YZ 0.12054 0.00000 -0.01750 -0.02026 0.00000 206 19 H 1S 0.00000 0.04346 0.00000 0.00000 0.16820 207 2S 0.00000 -0.64019 0.00000 0.00000 -1.95635 208 20 H 1S 0.00000 -0.00947 0.00000 0.00000 0.00376 209 2S 0.00000 0.26109 0.00000 0.00000 0.45013 210 21 H 1S 0.00000 -0.13537 0.00000 0.00000 -0.21591 211 2S 0.00000 -0.15199 0.00000 0.00000 -0.22917 212 22 H 1S 0.00000 -0.00947 0.00000 0.00000 0.01990 213 2S 0.00000 0.26109 0.00000 0.00000 0.45628 214 23 H 1S 0.00000 0.04347 0.00000 0.00000 0.15732 215 2S 0.00000 -0.64019 0.00000 0.00000 -2.06837 216 24 C 1S 0.00000 -0.01761 0.00000 0.00000 -0.00405 217 2S 0.00000 -0.15761 0.00000 0.00000 0.04510 218 2PX 0.00000 -0.02681 0.00000 0.00000 -0.12573 219 2PY 0.00000 -0.04644 0.00000 0.00000 0.04067 220 2PZ 0.04814 0.00000 -0.02353 -0.01347 0.00000 221 3S 0.00000 1.23226 0.00000 0.00000 -0.03927 222 3PX 0.00000 -2.33002 0.00000 0.00000 3.79326 223 3PY 0.00000 -4.03571 0.00000 0.00000 2.14236 224 3PZ 0.13025 0.00000 -0.14590 -0.08353 0.00000 225 4XX 0.00000 0.12291 0.00000 0.00000 0.10127 226 4YY 0.00000 0.03652 0.00000 0.00000 -0.11786 227 4ZZ 0.00000 -0.18523 0.00000 0.00000 -0.00230 228 4XY 0.00000 -0.08639 0.00000 0.00000 0.12943 229 4XZ -0.12840 0.00000 0.31378 0.07699 0.00000 230 4YZ -0.22239 0.00000 0.44127 0.31190 0.00000 231 25 C 1S 0.00000 0.02485 0.00000 0.00000 -0.00888 232 2S 0.00000 0.16552 0.00000 0.00000 0.03069 233 2PX 0.00000 -0.07910 0.00000 0.00000 0.01143 234 2PY 0.00000 -0.00100 0.00000 0.00000 0.03033 235 2PZ 0.01618 0.00000 0.01659 -0.01296 0.00000 236 3S 0.00000 -3.12045 0.00000 0.00000 2.60898 237 3PX 0.00000 -1.10736 0.00000 0.00000 1.51735 238 3PY 0.00000 1.80386 0.00000 0.00000 -1.35132 239 3PZ -0.05440 0.00000 0.12755 0.05261 0.00000 240 4XX 0.00000 -0.18236 0.00000 0.00000 -0.02845 241 4YY 0.00000 -0.04887 0.00000 0.00000 0.00044 242 4ZZ 0.00000 0.13972 0.00000 0.00000 0.03329 243 4XY 0.00000 0.21266 0.00000 0.00000 -0.05262 244 4XZ -0.30488 0.00000 0.33773 0.17572 0.00000 245 4YZ -0.12054 0.00000 -0.01735 0.02039 0.00000 246 26 C 1S 0.00000 -0.01317 0.00000 0.00000 0.00853 247 2S 0.00000 -0.18905 0.00000 0.00000 0.09790 248 2PX 0.00000 -0.01102 0.00000 0.00000 -0.03520 249 2PY 0.00000 0.00616 0.00000 0.00000 0.01901 250 2PZ -0.02190 0.00000 0.02112 -0.00270 0.00000 251 3S 0.00000 2.12927 0.00000 0.00000 -1.35524 252 3PX 0.00000 1.16840 0.00000 0.00000 -0.89059 253 3PY 0.00000 0.34139 0.00000 0.00000 -0.10877 254 3PZ 0.05717 0.00000 -0.09375 -0.06167 0.00000 255 4XX 0.00000 0.06811 0.00000 0.00000 0.05773 256 4YY 0.00000 -0.01032 0.00000 0.00000 -0.08418 257 4ZZ 0.00000 -0.04492 0.00000 0.00000 -0.00398 258 4XY 0.00000 0.17854 0.00000 0.00000 -0.10310 259 4XZ 0.04645 0.00000 -0.09284 -0.06807 0.00000 260 4YZ -0.31149 0.00000 0.13795 0.21206 0.00000 261 27 C 1S 0.00000 -0.00115 0.00000 0.00000 -0.00022 262 2S 0.00000 0.13068 0.00000 0.00000 -0.08250 263 2PX 0.00000 0.01996 0.00000 0.00000 -0.07567 264 2PY 0.00000 0.03458 0.00000 0.00000 0.01329 265 2PZ -0.06091 0.00000 0.04585 0.02625 0.00000 266 3S 0.00000 -1.22557 0.00000 0.00000 0.80332 267 3PX 0.00000 -0.44449 0.00000 0.00000 0.22037 268 3PY 0.00000 -0.76987 0.00000 0.00000 0.52512 269 3PZ -0.11973 0.00000 0.12157 0.06960 0.00000 270 4XX 0.00000 0.00630 0.00000 0.00000 -0.03854 271 4YY 0.00000 0.08693 0.00000 0.00000 -0.01168 272 4ZZ 0.00000 -0.07848 0.00000 0.00000 0.03662 273 4XY 0.00000 0.08064 0.00000 0.00000 -0.09893 274 4XZ -0.10225 0.00000 0.15706 -0.06809 0.00000 275 4YZ -0.17710 0.00000 0.11469 0.15689 0.00000 276 28 C 1S 0.00000 -0.01317 0.00000 0.00000 0.00615 277 2S 0.00000 -0.18905 0.00000 0.00000 0.12690 278 2PX 0.00000 0.01084 0.00000 0.00000 -0.02121 279 2PY 0.00000 -0.00647 0.00000 0.00000 0.03359 280 2PZ -0.02190 0.00000 0.00836 0.01958 0.00000 281 3S 0.00000 2.12927 0.00000 0.00000 -1.20019 282 3PX 0.00000 -0.28855 0.00000 0.00000 0.10099 283 3PY 0.00000 1.18256 0.00000 0.00000 -0.67003 284 3PZ 0.05717 0.00000 -0.10065 -0.04963 0.00000 285 4XX 0.00000 -0.12461 0.00000 0.00000 0.13524 286 4YY 0.00000 0.18241 0.00000 0.00000 -0.18039 287 4ZZ 0.00000 -0.04492 0.00000 0.00000 0.05130 288 4XY 0.00000 0.05005 0.00000 0.00000 0.03518 289 4XZ -0.29299 0.00000 0.27171 0.03285 0.00000 290 4YZ -0.11552 0.00000 0.03482 -0.03369 0.00000 291 29 C 1S 0.00000 0.02485 0.00000 0.00000 -0.02417 292 2S 0.00000 0.16552 0.00000 0.00000 -0.22428 293 2PX 0.00000 0.03869 0.00000 0.00000 -0.03875 294 2PY 0.00000 -0.06900 0.00000 0.00000 -0.02748 295 2PZ 0.01618 0.00000 -0.00278 0.02087 0.00000 296 3S 0.00000 -3.12045 0.00000 0.00000 1.23521 297 3PX 0.00000 2.11586 0.00000 0.00000 -1.17075 298 3PY 0.00000 -0.05708 0.00000 0.00000 -0.19223 299 3PZ -0.05440 0.00000 0.10995 0.08336 0.00000 300 4XX 0.00000 -0.24173 0.00000 0.00000 0.29343 301 4YY 0.00000 0.01051 0.00000 0.00000 -0.02626 302 4ZZ 0.00000 0.13972 0.00000 0.00000 -0.20176 303 4XY 0.00000 0.17308 0.00000 0.00000 -0.17322 304 4XZ 0.04805 0.00000 -0.15364 -0.12304 0.00000 305 4YZ -0.32431 0.00000 0.28371 0.16254 0.00000 306 30 H 1S 0.00000 0.04346 0.00000 0.00000 -0.11571 307 2S 0.00000 -0.64019 0.00000 0.00000 0.32585 308 31 H 1S 0.00000 -0.00947 0.00000 0.00000 0.06747 309 2S 0.00000 0.26109 0.00000 0.00000 -0.15887 310 32 H 1S 0.00000 -0.13537 0.00000 0.00000 0.08882 311 2S 0.00000 -0.15199 0.00000 0.00000 0.09427 312 33 H 1S 0.00000 -0.00947 0.00000 0.00000 -0.07720 313 2S 0.00000 0.26109 0.00000 0.00000 -0.21400 314 34 H 1S 0.00000 0.04347 0.00000 0.00000 -0.01820 315 2S 0.00000 -0.64019 0.00000 0.00000 1.32980 266 267 268 269 270 (E')--V (E')--V (E')--V (A')--V (A')--V Eigenvalues -- 2.30397 2.43721 2.43721 2.45492 2.46215 1 1 C 1S -0.00000 -0.00000 0.00000 0.00000 0.02333 2 2S -0.00000 -0.00000 0.00000 0.00001 0.22877 3 2PX -0.15233 -0.09084 0.00246 -0.00000 0.00000 4 2PY -0.11004 0.00246 0.09084 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 -0.00000 -0.00004 -0.75723 7 3PX 6.71659 1.78582 -0.04840 0.00000 0.00000 8 3PY 4.85188 -0.04840 -1.78582 0.00000 -0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.48477 0.08030 -0.00218 -0.00000 -0.09825 11 4YY -0.48477 -0.08030 0.00218 -0.00000 -0.09825 12 4ZZ -0.00000 -0.00000 0.00000 0.00001 0.18797 13 4XY -0.40436 0.00251 0.09272 -0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00801 -0.01434 0.00039 -0.00000 -0.04764 17 2S -0.08934 -0.14296 0.00388 -0.00000 -0.12313 18 2PX -0.05476 0.01029 -0.00028 0.00000 0.01112 19 2PY 0.08293 -0.00043 -0.01573 0.04452 -0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S 0.07780 0.30300 -0.00822 0.00003 1.45771 22 3PX 7.43201 1.83142 -0.04964 -0.00000 0.30435 23 3PY -1.42080 0.03055 1.12700 -0.95636 0.00002 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX -0.06734 0.06942 -0.00188 0.00000 0.01473 26 4YY 0.10020 0.06135 -0.00166 0.00001 0.24567 27 4ZZ 0.00455 -0.13298 0.00361 -0.00001 -0.30516 28 4XY 0.11185 0.00492 0.18155 -0.17813 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.03764 0.01300 0.04968 -0.04019 0.00753 32 2S 0.27356 -0.01107 0.28138 -0.20259 -0.05245 33 2PX -0.03520 0.01370 -0.02082 -0.02530 0.14710 34 2PY 0.02246 0.01008 -0.01163 0.02683 0.05377 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -3.36652 -0.89922 -2.20842 1.70948 0.22810 37 3PX -1.26149 -0.36022 -0.56712 0.44857 0.39404 38 3PY 2.53568 0.84158 0.88603 -0.86785 0.39694 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX 0.13095 0.00603 -0.19680 0.09672 -0.02009 41 4YY -0.46254 -0.09009 -0.18250 0.18162 0.02017 42 4ZZ 0.24228 0.08021 0.37918 -0.29047 0.04244 43 4XY 0.12332 0.01906 0.26772 -0.19199 -0.20017 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.01377 0.00123 -0.04450 0.03084 0.03721 47 2S -0.23195 -0.04398 -0.21566 0.19291 0.11273 48 2PX 0.02347 -0.04081 -0.04524 0.01742 -0.14924 49 2PY 0.01934 0.03910 -0.05170 0.02108 0.17847 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 2.48118 0.30941 1.88700 -1.38985 -1.85981 52 3PX -1.05589 -0.36401 -0.65698 0.55710 0.27733 53 3PY -1.03396 -0.06282 -0.69231 0.53894 0.64147 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.18285 0.09766 0.13337 -0.07843 -0.08784 56 4YY -0.10595 -0.11785 0.28462 -0.20447 -0.18946 57 4ZZ -0.06461 0.02578 -0.35983 0.24468 0.28459 58 4XY 0.21701 0.09449 0.27126 -0.22405 0.10990 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00044 -0.01943 0.00053 -0.00000 -0.06616 62 2S 0.16342 -0.02067 0.00056 -0.00001 -0.19733 63 2PX -0.05215 -0.05385 0.00146 -0.00000 -0.10790 64 2PY 0.04632 -0.00273 -0.10068 0.05405 -0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -1.59124 0.38922 -0.01057 0.00006 2.31571 67 3PX 1.11907 -0.09496 0.00258 -0.00003 -1.35417 68 3PY 0.04602 -0.01157 -0.42679 0.24030 -0.00001 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX 0.18340 0.12431 -0.00337 0.00000 0.12405 71 4YY -0.08393 0.05170 -0.00140 0.00001 0.34892 72 4ZZ -0.07254 -0.16220 0.00440 -0.00001 -0.49712 73 4XY -0.04037 0.00869 0.32063 -0.19390 0.00001 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.01530 0.00364 0.04437 -0.03084 0.03722 77 2S -0.21334 -0.03223 0.21772 -0.19290 0.11274 78 2PX 0.01088 -0.03830 0.04738 -0.01743 -0.14924 79 2PY 0.02889 -0.04184 -0.04951 0.02107 -0.17847 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 2.58069 0.20670 -1.90097 1.38975 -1.85988 82 3PX -1.06213 -0.32787 0.67573 -0.55709 0.27735 83 3PY 1.22291 0.02522 -0.69469 0.53890 -0.64150 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.21554 0.09029 -0.13847 0.07843 -0.08785 86 4YY -0.15063 -0.13310 -0.27781 0.20446 -0.18947 87 4ZZ -0.02913 0.04524 0.35790 -0.24467 0.28461 88 4XY -0.09199 -0.07965 0.27598 -0.22405 -0.10989 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.02783 0.01029 -0.05031 0.04019 0.00753 92 2S 0.10993 -0.02631 -0.28036 0.20259 -0.05246 93 2PX 0.01303 0.01481 0.02005 0.02531 0.14710 94 2PY -0.00636 -0.01069 -0.01107 0.02683 -0.05377 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -4.24816 -0.77823 2.25388 -1.70945 0.22819 97 3PX -1.04313 -0.32897 0.58579 -0.44855 0.39407 98 3PY -3.22361 -0.79233 0.93032 -0.86786 -0.39690 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.11169 0.01668 0.19618 -0.09672 -0.02008 101 4YY -0.25385 -0.08007 0.18712 -0.18162 0.02018 102 4ZZ 0.09143 0.05955 -0.38297 0.29047 0.04243 103 4XY -0.10248 -0.00452 0.26836 -0.19198 0.20018 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.10134 0.06035 -0.22711 0.21879 -0.07253 107 2S -1.96194 -0.68239 0.53012 -0.62198 -0.15290 108 9 H 1S 0.05606 0.02119 0.25787 -0.19071 0.07518 109 2S 0.38699 0.06332 -0.33288 0.27132 -0.10778 110 10 H 1S -0.17593 -0.08575 0.00232 -0.00000 -0.04198 111 2S -0.18674 0.05675 -0.00154 0.00001 0.34101 112 11 H 1S -0.03678 0.00718 -0.25864 0.19072 0.07517 113 2S 0.35161 0.08126 0.32896 -0.27132 -0.10777 114 12 H 1S 0.16391 0.07256 0.22351 -0.21879 -0.07252 115 2S -1.31763 -0.71011 -0.49237 0.62197 -0.15292 116 13 C 1S 0.00101 0.00751 0.01223 -0.00000 -0.04764 117 2S -0.01122 0.07484 0.12187 -0.00000 -0.12313 118 2PX 0.12545 0.01431 -0.00274 -0.03855 -0.00556 119 2PY 0.06449 0.00204 -0.01172 -0.02226 0.00963 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 0.00978 -0.15862 -0.25829 0.00003 1.45771 122 3PX -2.55707 -0.35267 1.29154 0.82823 -0.15219 123 3PY -0.39852 -1.31062 -1.05709 0.47817 0.26356 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.13518 0.08290 -0.12530 -0.13359 0.18794 126 4YY 0.13931 -0.15136 0.01382 0.13360 0.07246 127 4ZZ 0.00057 0.06961 0.11336 -0.00001 -0.30516 128 4XY 0.10553 -0.07527 0.05096 0.08907 0.11547 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.01245 -0.04872 0.01624 0.04019 0.00753 132 2S 0.16308 -0.22965 0.16296 0.20259 -0.05246 133 2PX 0.03459 -0.00131 -0.00139 -0.03589 -0.02698 134 2PY -0.02894 0.01074 -0.02718 0.00851 0.15428 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.27072 2.34103 -0.45297 -1.70945 0.22819 137 3PX -0.02775 -1.37673 -0.18741 0.97586 0.14669 138 3PY -0.39731 -0.01913 -0.11744 0.04548 0.53972 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX -0.18271 0.36795 -0.14399 -0.30438 0.16024 141 4YY -0.00796 -0.00431 0.00724 0.02604 -0.16015 142 4ZZ 0.14910 -0.36143 0.13991 0.29047 0.04243 143 4XY -0.11098 -0.09707 0.10929 0.05354 -0.07996 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S -0.00053 0.03660 -0.02534 -0.03084 0.03722 147 2S -0.04377 0.20467 -0.08095 -0.19290 0.11274 148 2PX 0.02853 -0.01108 -0.05756 -0.00953 0.22918 149 2PY 0.03131 0.06310 -0.02229 -0.02563 -0.04001 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.23335 -1.74964 0.77148 1.38975 -1.85988 152 3PX 0.08011 0.15737 -0.25494 -0.18816 0.41688 153 3PY -0.10121 0.95588 -0.20945 -0.75190 0.56094 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX -0.07851 0.03732 0.13663 0.00491 -0.24648 156 4YY 0.09760 -0.37643 0.10858 0.27798 -0.03083 157 4ZZ -0.03602 0.28733 -0.21813 -0.24467 0.28461 158 4XY 0.07510 -0.14390 0.16607 0.17504 0.00414 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00006 0.01017 0.01657 -0.00000 -0.06616 162 2S 0.02052 0.01082 0.01762 -0.00001 -0.19733 163 2PX 0.07142 0.06023 -0.06860 -0.04681 0.05395 164 2PY 0.03367 0.06733 0.01340 -0.02703 -0.09345 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.19985 -0.20376 -0.33179 0.00006 2.31571 167 3PX -0.00256 0.29023 -0.23396 -0.20809 0.67709 168 3PY 0.16081 0.22497 -0.04161 -0.12018 -1.17274 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.04929 0.16843 -0.18543 -0.14542 0.29271 171 4YY -0.03679 -0.26057 0.03538 0.14543 0.18026 172 4ZZ -0.00911 0.08491 0.13827 -0.00001 -0.49712 173 4XY -0.05108 -0.11766 0.11487 0.09695 0.11243 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.00312 -0.03915 0.02118 0.03084 0.03721 177 2S -0.01216 -0.16477 0.14591 0.19291 0.11273 178 2PX 0.04027 0.06509 -0.02204 -0.02697 -0.07993 179 2PY 0.01339 0.01590 0.05420 0.00455 -0.21848 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.40239 1.47949 -1.21145 -1.38985 -1.85981 182 3PX 0.33088 0.68551 -0.66876 -0.74528 -0.69419 183 3PY 0.03134 -0.05104 0.35720 0.21300 -0.08056 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.09245 0.38648 -0.23110 -0.34100 -0.08163 186 4YY 0.09116 -0.01439 0.03958 0.05810 -0.19567 187 4ZZ 0.02425 -0.32451 0.15758 0.24468 0.28459 188 4XY -0.01003 0.02553 0.16424 0.04901 -0.10576 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S -0.00423 0.03653 -0.03610 -0.04019 0.00753 192 2S -0.11491 0.24922 -0.13110 -0.20259 -0.05245 193 2PX -0.00951 0.02553 0.00325 -0.01058 -0.12012 194 2PY 0.04020 -0.01399 0.00020 -0.03533 0.10050 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -1.22707 -1.46294 1.88296 1.70948 0.22810 197 3PX -0.83966 -0.14460 0.71709 0.52730 -0.54078 198 3PY -0.43771 -0.44263 1.10166 0.82240 0.14278 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.09629 0.03863 0.03747 0.01640 -0.14002 201 4YY 0.03488 -0.32508 0.22498 0.26193 0.14010 202 4ZZ -0.10718 0.28827 -0.25906 -0.29047 0.04244 203 4XY 0.06846 -0.08094 0.11323 0.13844 0.12021 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.03650 0.15728 -0.17460 -0.21879 -0.07252 207 2S -0.75324 -0.07135 0.86116 0.62197 -0.15292 208 20 H 1S 0.08008 -0.22758 0.12310 0.19072 0.07517 209 2S 0.07644 0.24426 -0.23486 -0.27132 -0.10777 210 21 H 1S -0.02210 0.04489 0.07310 -0.00000 -0.04198 211 2S -0.02345 -0.02971 -0.04838 0.00001 0.34101 212 22 H 1S -0.07766 0.21273 -0.14728 -0.19071 0.07518 213 2S 0.01633 -0.31994 0.11161 0.27132 -0.10778 214 23 H 1S 0.06981 -0.22686 0.06130 0.21879 -0.07253 215 2S 0.34135 0.80029 0.32591 -0.62198 -0.15290 216 24 C 1S -0.00902 0.00684 -0.01262 -0.00000 -0.04764 217 2S 0.10057 0.06813 -0.12575 -0.00000 -0.12313 218 2PX 0.01937 0.01444 0.00197 0.03855 -0.00556 219 2PY -0.08235 -0.00267 -0.01159 -0.02226 -0.00963 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.08757 -0.14438 0.26651 0.00003 1.45771 222 3PX 3.32279 -0.42212 -1.27053 -0.82823 -0.15215 223 3PY 7.74114 1.25144 -1.12654 0.47818 -0.26358 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX -0.12427 0.08957 0.12062 0.13360 0.18793 226 4YY 0.08727 -0.15188 -0.00559 -0.13359 0.07247 227 4ZZ -0.00513 0.06337 -0.11697 -0.00001 -0.30516 228 4XY 0.05521 0.07792 0.04680 0.08906 -0.11547 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S -0.04028 0.03843 0.03407 0.04019 0.00753 232 2S -0.27300 0.25595 0.11740 0.20259 -0.05246 233 2PX 0.00426 0.02531 -0.00463 0.01058 -0.12012 234 2PY -0.03632 0.01398 -0.00056 -0.03533 -0.10050 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S 3.97745 -1.56280 -1.80091 -1.70945 0.22819 237 3PX 1.91221 -0.18324 -0.70820 -0.52732 -0.54076 238 3PY -2.68980 0.50166 1.07605 0.82238 -0.14282 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.22049 0.03654 -0.03951 -0.01641 -0.14002 241 4YY 0.11234 -0.33679 -0.20703 -0.26193 0.14011 242 4ZZ -0.24052 0.30188 0.24305 0.29047 0.04243 243 4XY -0.37688 0.08696 0.10868 0.13844 -0.12022 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.01583 -0.04024 -0.01903 -0.03084 0.03722 247 2S 0.25711 -0.17244 -0.13677 -0.19290 0.11274 248 2PX 0.02181 0.06619 0.01848 0.02696 -0.07994 249 2PY 0.01481 -0.01294 0.05498 0.00456 0.21848 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -2.81403 1.54294 1.12949 1.38975 -1.85988 252 3PX -1.63773 0.72073 0.63063 0.74524 -0.69423 253 3PY -0.42836 0.07032 0.35391 0.21300 0.08055 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX -0.11980 0.39843 0.20981 0.34099 -0.08164 256 4YY 0.03580 -0.01652 -0.03874 -0.05811 -0.19567 257 4ZZ 0.06515 -0.33257 -0.13977 -0.24467 0.28461 258 4XY -0.27959 -0.01660 0.16538 0.04901 0.10576 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S -0.00050 0.00926 -0.01709 -0.00000 -0.06616 262 2S -0.18394 0.00985 -0.01818 -0.00001 -0.19733 263 2PX -0.00132 0.06386 0.06523 0.04681 0.05395 264 2PY -0.06702 -0.06650 0.01703 -0.02702 0.09345 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 1.79109 -0.18546 0.34236 0.00006 2.31571 267 3PX 0.65766 0.30248 0.21789 0.20812 0.67708 268 3PY 1.07478 -0.22688 -0.02935 -0.12012 1.17275 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX 0.04040 0.17823 0.17603 0.14543 0.29270 271 4YY -0.15237 -0.26210 -0.02121 -0.14542 0.18027 272 4ZZ 0.08165 0.07729 -0.14266 -0.00001 -0.49712 273 4XY -0.13635 0.12371 0.10833 0.09695 -0.11244 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.01690 0.03792 0.02332 0.03084 0.03721 277 2S 0.24411 0.20875 0.06974 0.19291 0.11273 278 2PX 0.02671 -0.00794 0.05807 0.00954 0.22918 279 2PY 0.00182 -0.06421 -0.01884 -0.02563 0.04002 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -2.88357 -1.78889 -0.67555 -1.38985 -1.85981 282 3PX 0.56007 0.17096 0.24604 0.18818 0.41687 283 3PY -1.70230 -0.96584 -0.15735 -0.75193 -0.56091 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX 0.15877 0.02987 -0.13846 -0.00492 -0.24648 286 4YY -0.23439 -0.38176 -0.08802 -0.27798 -0.03082 287 4ZZ 0.04035 0.29873 0.20224 0.24468 0.28459 288 4XY -0.13271 0.15269 0.15803 0.17504 -0.00414 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.03342 -0.04953 -0.01358 -0.04019 0.00753 292 2S -0.15865 -0.23814 -0.15028 -0.20259 -0.05245 293 2PX -0.00699 -0.00123 0.00146 0.03589 -0.02698 294 2PY 0.00909 -0.01220 -0.02656 0.00850 -0.15428 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S 4.59359 2.36216 0.32546 1.70948 0.22810 297 3PX -3.62560 -1.36457 0.26172 -0.97587 0.14674 298 3PY 0.68367 0.01274 -0.11831 0.04545 -0.53972 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.30508 0.37522 0.12384 0.30439 0.16023 301 4YY -0.10465 -0.00470 -0.00700 -0.02605 -0.16015 302 4ZZ -0.13510 -0.36849 -0.12012 -0.29047 0.04244 303 4XY -0.17015 0.10285 0.10387 0.05354 0.07995 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.12742 -0.22985 -0.04891 -0.21879 -0.07252 307 2S 2.07087 0.78146 -0.36879 0.62197 -0.15292 308 31 H 1S -0.04330 0.22039 0.13554 0.19072 0.07517 309 2S -0.42804 -0.32552 -0.09411 -0.27132 -0.10777 310 32 H 1S 0.19803 0.04086 -0.07543 -0.00000 -0.04198 311 2S 0.21019 -0.02704 0.04992 0.00001 0.34101 312 33 H 1S 0.02159 -0.23391 -0.11059 -0.19071 0.07518 313 2S -0.40332 0.25663 0.22128 0.27132 -0.10778 314 34 H 1S -0.17115 0.16651 0.16582 0.21879 -0.07253 315 2S 1.62059 -0.11790 -0.85602 -0.62198 -0.15290 271 272 273 274 275 (A")--V (E")--V (E")--V (E')--V (E')--V Eigenvalues -- 2.49491 2.50167 2.50167 2.51983 2.51983 1 1 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 2PX 0.00000 0.00000 0.00000 0.00100 -0.00001 4 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00100 5 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 7 3PX 0.00000 0.00000 0.00000 -1.09832 0.01097 8 3PY 0.00000 0.00000 0.00000 0.01097 1.09832 9 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 10 4XX 0.00000 0.00000 0.00000 -0.29121 0.00291 11 4YY 0.00000 0.00000 0.00000 0.29121 -0.00291 12 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 -0.00336 -0.33626 14 4XZ -0.00000 0.12738 -0.00063 0.00000 0.00000 15 4YZ -0.00000 0.00063 0.12738 0.00000 0.00000 16 2 C 1S 0.00000 0.00000 0.00000 -0.09078 0.00091 17 2S 0.00000 0.00000 0.00000 -0.37727 0.00378 18 2PX 0.00000 0.00000 0.00000 -0.03370 0.00034 19 2PY 0.00000 0.00000 0.00000 0.00028 0.02779 20 2PZ 0.00000 -0.00801 0.00004 0.00000 0.00000 21 3S 0.00000 0.00000 0.00000 4.09881 -0.04102 22 3PX 0.00000 0.00000 0.00000 0.71725 -0.00720 23 3PY 0.00000 0.00000 0.00000 0.00055 0.05454 24 3PZ -0.00000 0.02128 -0.00011 0.00000 0.00000 25 4XX 0.00000 0.00000 0.00000 0.15485 -0.00155 26 4YY 0.00000 0.00000 0.00000 0.30290 -0.00303 27 4ZZ 0.00000 0.00000 0.00000 -0.52163 0.00522 28 4XY 0.00000 0.00000 0.00000 -0.00067 -0.06648 29 4XZ -0.00000 0.09670 -0.00048 0.00000 0.00000 30 4YZ 0.25047 -0.00183 -0.36945 0.00000 0.00000 31 3 C 1S 0.00000 0.00000 0.00000 0.01930 -0.01370 32 2S 0.00000 0.00000 0.00000 -0.03385 -0.03185 33 2PX 0.00000 0.00000 0.00000 -0.00989 -0.05470 34 2PY 0.00000 0.00000 0.00000 0.08232 -0.03136 35 2PZ 0.01764 -0.00285 -0.02203 0.00000 0.00000 36 3S 0.00000 0.00000 0.00000 -0.15465 0.92795 37 3PX 0.00000 0.00000 0.00000 0.83700 0.77957 38 3PY 0.00000 0.00000 0.00000 1.30272 0.20569 39 3PZ 0.01524 -0.01987 -0.01974 0.00000 0.00000 40 4XX 0.00000 0.00000 0.00000 -0.22732 0.05407 41 4YY 0.00000 0.00000 0.00000 0.06245 0.01232 42 4ZZ 0.00000 0.00000 0.00000 0.15002 -0.06859 43 4XY 0.00000 0.00000 0.00000 -0.19261 -0.08082 44 4XZ 0.28077 0.00698 -0.39693 0.00000 0.00000 45 4YZ 0.11220 0.03595 -0.16157 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.03558 0.01571 47 2S 0.00000 0.00000 0.00000 0.14365 0.08907 48 2PX 0.00000 0.00000 0.00000 -0.27740 0.04099 49 2PY 0.00000 0.00000 0.00000 0.22024 -0.00611 50 2PZ 0.00022 -0.00113 0.00090 0.00000 0.00000 51 3S 0.00000 0.00000 0.00000 -2.36411 -0.98440 52 3PX 0.00000 0.00000 0.00000 0.14696 0.46843 53 3PY 0.00000 0.00000 0.00000 0.73138 0.12323 54 3PZ -0.00618 0.01244 0.00963 0.00000 0.00000 55 4XX 0.00000 0.00000 0.00000 0.13158 -0.05641 56 4YY 0.00000 0.00000 0.00000 -0.34502 -0.04839 57 4ZZ 0.00000 0.00000 0.00000 0.23330 0.09578 58 4XY 0.00000 0.00000 0.00000 0.32713 -0.04334 59 4XZ 0.31140 -0.00085 -0.43122 0.00000 0.00000 60 4YZ -0.15581 -0.01200 0.21372 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 -0.08497 0.00085 62 2S 0.00000 0.00000 0.00000 -0.21433 0.00215 63 2PX 0.00000 0.00000 0.00000 -0.19878 0.00199 64 2PY 0.00000 0.00000 0.00000 0.00052 0.05250 65 2PZ 0.00000 -0.00256 0.00001 0.00000 0.00000 66 3S 0.00000 0.00000 0.00000 2.99795 -0.03000 67 3PX 0.00000 0.00000 0.00000 -1.74873 0.01750 68 3PY 0.00000 0.00000 0.00000 -0.00009 -0.00884 69 3PZ 0.00000 -0.01037 0.00005 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 0.14655 -0.00146 71 4YY 0.00000 0.00000 0.00000 0.48516 -0.00486 72 4ZZ 0.00000 0.00000 0.00000 -0.58440 0.00585 73 4XY 0.00000 0.00000 0.00000 -0.00065 -0.06539 74 4XZ -0.00000 0.01050 -0.00005 0.00000 0.00000 75 4YZ -0.34431 0.00234 0.47152 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.03526 -0.01642 77 2S 0.00000 0.00000 0.00000 0.14184 -0.09193 78 2PX 0.00000 0.00000 0.00000 -0.27816 -0.03543 79 2PY 0.00000 0.00000 0.00000 -0.22032 -0.00170 80 2PZ -0.00022 -0.00114 -0.00089 0.00000 0.00000 81 3S 0.00000 0.00000 0.00000 -2.34395 1.03151 82 3PX 0.00000 0.00000 0.00000 0.13755 -0.47128 83 3PY 0.00000 0.00000 0.00000 -0.72877 0.13784 84 3PZ 0.00618 0.01235 -0.00975 0.00000 0.00000 85 4XX 0.00000 0.00000 0.00000 0.13268 0.05377 86 4YY 0.00000 0.00000 0.00000 -0.34399 0.05528 87 4ZZ 0.00000 0.00000 0.00000 0.23133 -0.10043 88 4XY 0.00000 0.00000 0.00000 -0.32793 -0.03678 89 4XZ -0.31140 0.00342 0.43121 0.00000 0.00000 90 4YZ -0.15581 0.01412 0.21359 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.01957 0.01331 92 2S 0.00000 0.00000 0.00000 -0.03321 0.03252 93 2PX 0.00000 0.00000 0.00000 -0.00879 0.05489 94 2PY 0.00000 0.00000 0.00000 -0.08293 -0.02970 95 2PZ -0.01764 -0.00263 0.02205 0.00000 0.00000 96 3S 0.00000 0.00000 0.00000 -0.17317 -0.92466 97 3PX 0.00000 0.00000 0.00000 0.82123 -0.79617 98 3PY 0.00000 0.00000 0.00000 -1.29834 0.23174 99 3PZ -0.01524 -0.01968 0.01994 0.00000 0.00000 100 4XX 0.00000 0.00000 0.00000 -0.22836 -0.04951 101 4YY 0.00000 0.00000 0.00000 0.06219 -0.01357 102 4ZZ 0.00000 0.00000 0.00000 0.15136 0.06557 103 4XY 0.00000 0.00000 0.00000 0.19095 -0.08466 104 4XZ -0.28077 0.01091 0.39684 0.00000 0.00000 105 4YZ 0.11220 -0.03755 -0.16120 0.00000 0.00000 106 8 H 1S 0.00000 0.00000 0.00000 -0.06137 0.01320 107 2S 0.00000 0.00000 0.00000 -1.22499 0.52707 108 9 H 1S 0.00000 0.00000 0.00000 0.03293 -0.05164 109 2S 0.00000 0.00000 0.00000 -0.01923 0.05909 110 10 H 1S 0.00000 0.00000 0.00000 -0.02802 0.00028 111 2S 0.00000 0.00000 0.00000 0.46564 -0.00466 112 11 H 1S 0.00000 0.00000 0.00000 0.03396 0.05097 113 2S 0.00000 0.00000 0.00000 -0.02040 -0.05870 114 12 H 1S 0.00000 0.00000 0.00000 -0.06162 -0.01197 115 2S 0.00000 0.00000 0.00000 -1.23529 -0.50244 116 13 C 1S 0.00000 0.00000 0.00000 0.04618 0.07816 117 2S 0.00000 0.00000 0.00000 0.19190 0.32484 118 2PX 0.00000 0.00000 0.00000 -0.02929 -0.00227 119 2PY 0.00000 0.00000 0.00000 0.00288 0.03220 120 2PZ 0.00000 0.00397 -0.00695 0.00000 0.00000 121 3S 0.00000 0.00000 0.00000 -2.08493 -3.52916 122 3PX 0.00000 0.00000 0.00000 0.14177 0.33281 123 3PY 0.00000 0.00000 0.00000 -0.33945 -0.52095 124 3PZ -0.00000 -0.01055 0.01848 0.00000 0.00000 125 4XX 0.00000 0.00000 0.00000 -0.17818 -0.20357 126 4YY 0.00000 0.00000 0.00000 -0.05466 -0.19057 127 4ZZ 0.00000 0.00000 0.00000 0.26534 0.44914 128 4XY 0.00000 0.00000 0.00000 -0.00903 -0.08064 129 4XZ -0.21691 -0.25391 -0.20060 0.00000 0.00000 130 4YZ -0.12523 -0.20195 -0.01883 0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00174 -0.02361 132 2S 0.00000 0.00000 0.00000 0.04476 0.01250 133 2PX 0.00000 0.00000 0.00000 -0.03960 -0.06514 134 2PY 0.00000 0.00000 0.00000 0.03710 -0.06051 135 2PZ -0.01764 -0.01778 -0.01331 0.00000 0.00000 136 3S 0.00000 0.00000 0.00000 -0.71419 0.61230 137 3PX 0.00000 0.00000 0.00000 -0.18594 -0.71685 138 3PY 0.00000 0.00000 0.00000 -1.37766 -0.77544 139 3PZ -0.01524 -0.00743 -0.02701 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 -0.14091 -0.07195 141 4YY 0.00000 0.00000 0.00000 0.16937 0.24740 142 4ZZ 0.00000 0.00000 0.00000 -0.01889 -0.16386 143 4XY 0.00000 0.00000 0.00000 0.02732 -0.07328 144 4XZ 0.04322 0.03740 0.05285 0.00000 0.00000 145 4YZ -0.29925 -0.38155 -0.18769 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 -0.03185 -0.02232 147 2S 0.00000 0.00000 0.00000 -0.15053 -0.07687 148 2PX 0.00000 0.00000 0.00000 -0.14833 -0.29528 149 2PY 0.00000 0.00000 0.00000 0.03954 0.12814 150 2PZ -0.00022 0.00134 -0.00055 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 2.06529 1.51416 152 3PX 0.00000 0.00000 0.00000 -0.18049 -0.54515 153 3PY 0.00000 0.00000 0.00000 -0.65490 -0.18021 154 3PZ 0.00618 0.00227 0.01557 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.25904 0.39404 156 4YY 0.00000 0.00000 0.00000 -0.05895 -0.26557 157 4ZZ 0.00000 0.00000 0.00000 -0.20264 -0.15013 158 4XY 0.00000 0.00000 0.00000 0.05377 0.05483 159 4XZ 0.29064 0.35388 0.18822 0.00000 0.00000 160 4YZ -0.19178 -0.22887 -0.13687 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.04322 0.07316 162 2S 0.00000 0.00000 0.00000 0.10902 0.18454 163 2PX 0.00000 0.00000 0.00000 -0.08970 -0.06245 164 2PY 0.00000 0.00000 0.00000 0.06496 0.16157 165 2PZ 0.00000 0.00127 -0.00223 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 -1.52495 -2.58130 167 3PX 0.00000 0.00000 0.00000 -0.43817 -0.75674 168 3PY 0.00000 0.00000 0.00000 0.77415 1.30172 169 3PZ 0.00000 0.00514 -0.00900 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 -0.24595 -0.31990 171 4YY 0.00000 0.00000 0.00000 -0.07538 -0.22401 172 4ZZ 0.00000 0.00000 0.00000 0.29727 0.50318 173 4XY 0.00000 0.00000 0.00000 -0.05797 -0.16240 174 4XZ 0.29818 0.35726 0.19786 0.00000 0.00000 175 4YZ 0.17215 0.20025 0.12477 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 -0.00418 -0.03867 177 2S 0.00000 0.00000 0.00000 0.00531 -0.16894 178 2PX 0.00000 0.00000 0.00000 0.01285 0.05266 179 2PY 0.00000 0.00000 0.00000 0.20856 0.28414 180 2PZ 0.00022 -0.00021 -0.00143 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.32954 2.53958 182 3PX 0.00000 0.00000 0.00000 0.05818 0.78264 183 3PY 0.00000 0.00000 0.00000 0.41717 0.03445 184 3PZ -0.00618 -0.01456 0.00596 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 -0.08153 0.02458 186 4YY 0.00000 0.00000 0.00000 0.09749 0.21267 187 4ZZ 0.00000 0.00000 0.00000 -0.03370 -0.24993 188 4XY 0.00000 0.00000 0.00000 0.22317 0.33519 189 4XZ -0.02076 -0.03185 -0.00589 0.00000 0.00000 190 4YZ 0.34759 0.41333 0.24471 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 -0.02152 -0.00987 192 2S 0.00000 0.00000 0.00000 -0.01066 0.04524 193 2PX 0.00000 0.00000 0.00000 0.08038 0.03021 194 2PY 0.00000 0.00000 0.00000 -0.00259 0.05891 195 2PZ 0.01764 0.02050 0.00854 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.88096 -0.33005 197 3PX 0.00000 0.00000 0.00000 0.28151 1.62343 198 3PY 0.00000 0.00000 0.00000 0.45886 -0.34980 199 3PZ 0.01524 0.02703 -0.00734 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.04444 0.15269 201 4YY 0.00000 0.00000 0.00000 0.09549 -0.04309 202 4ZZ 0.00000 0.00000 0.00000 -0.13441 -0.09562 203 4XY 0.00000 0.00000 0.00000 -0.10367 -0.21865 204 4XZ -0.23755 -0.27574 -0.19918 0.00000 0.00000 205 4YZ 0.18705 0.23370 0.12115 0.00000 0.00000 206 19 H 1S 0.00000 0.00000 0.00000 0.02045 0.05935 207 2S 0.00000 0.00000 0.00000 0.18252 1.32102 208 20 H 1S 0.00000 0.00000 0.00000 0.02716 -0.05489 209 2S 0.00000 0.00000 0.00000 -0.04063 0.04702 210 21 H 1S 0.00000 0.00000 0.00000 0.01425 0.02412 211 2S 0.00000 0.00000 0.00000 -0.23686 -0.40093 212 22 H 1S 0.00000 0.00000 0.00000 -0.06119 -0.00270 213 2S 0.00000 0.00000 0.00000 0.06079 -0.01290 214 23 H 1S 0.00000 0.00000 0.00000 0.04211 0.04655 215 2S 0.00000 0.00000 0.00000 1.06895 0.79734 216 24 C 1S 0.00000 0.00000 0.00000 0.04460 -0.07907 217 2S 0.00000 0.00000 0.00000 0.18536 -0.32861 218 2PX 0.00000 0.00000 0.00000 -0.02924 0.00285 219 2PY 0.00000 0.00000 0.00000 -0.00224 0.03225 220 2PZ 0.00000 0.00404 0.00691 0.00000 0.00000 221 3S 0.00000 0.00000 0.00000 -2.01387 3.57018 222 3PX 0.00000 0.00000 0.00000 0.13505 -0.33558 223 3PY 0.00000 0.00000 0.00000 0.32893 -0.52766 224 3PZ -0.00000 -0.01073 -0.01837 0.00000 0.00000 225 4XX 0.00000 0.00000 0.00000 -0.17407 0.20710 226 4YY 0.00000 0.00000 0.00000 -0.05084 0.19162 227 4ZZ 0.00000 0.00000 0.00000 0.25630 -0.45436 228 4XY 0.00000 0.00000 0.00000 0.00741 -0.08081 229 4XZ 0.21691 -0.25191 0.20311 0.00000 0.00000 230 4YZ -0.12523 0.20175 -0.02084 0.00000 0.00000 231 25 C 1S 0.00000 0.00000 0.00000 -0.02131 0.01030 232 2S 0.00000 0.00000 0.00000 -0.01156 -0.04502 233 2PX 0.00000 0.00000 0.00000 0.07976 -0.03181 234 2PY 0.00000 0.00000 0.00000 0.00377 0.05884 235 2PZ -0.01764 0.02042 -0.00875 0.00000 0.00000 236 3S 0.00000 0.00000 0.00000 0.88737 0.31236 237 3PX 0.00000 0.00000 0.00000 0.24895 -1.62875 238 3PY 0.00000 0.00000 0.00000 -0.46576 -0.34054 239 3PZ -0.01524 0.02711 0.00707 0.00000 0.00000 240 4XX 0.00000 0.00000 0.00000 0.04137 -0.15355 241 4YY 0.00000 0.00000 0.00000 0.09634 0.04118 242 4ZZ 0.00000 0.00000 0.00000 -0.13246 0.09829 243 4XY 0.00000 0.00000 0.00000 0.09928 -0.22068 244 4XZ 0.23755 -0.27375 0.20191 0.00000 0.00000 245 4YZ 0.18705 -0.23249 0.12346 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.00000 -0.00341 0.03874 247 2S 0.00000 0.00000 0.00000 0.00869 0.16880 248 2PX 0.00000 0.00000 0.00000 0.01179 -0.05291 249 2PY 0.00000 0.00000 0.00000 -0.20283 0.28826 250 2PZ -0.00022 -0.00020 0.00143 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.27866 -2.54568 252 3PX 0.00000 0.00000 0.00000 0.04251 -0.78365 253 3PY 0.00000 0.00000 0.00000 -0.41640 0.04279 254 3PZ 0.00618 -0.01462 -0.00582 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 -0.08201 -0.02295 256 4YY 0.00000 0.00000 0.00000 0.09322 -0.21458 257 4ZZ 0.00000 0.00000 0.00000 -0.02869 0.25056 258 4XY 0.00000 0.00000 0.00000 -0.21642 0.33958 259 4XZ 0.02076 -0.03179 0.00621 0.00000 0.00000 260 4YZ 0.34759 -0.41088 0.24880 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.04175 -0.07401 262 2S 0.00000 0.00000 0.00000 0.10531 -0.18668 263 2PX 0.00000 0.00000 0.00000 -0.08843 0.06423 264 2PY 0.00000 0.00000 0.00000 -0.06172 0.16284 265 2PZ 0.00000 0.00129 0.00221 0.00000 0.00000 266 3S 0.00000 0.00000 0.00000 -1.47299 2.61130 267 3PX 0.00000 0.00000 0.00000 -0.42293 0.76536 268 3PY 0.00000 0.00000 0.00000 -0.74795 1.31696 269 3PZ 0.00000 0.00523 0.00895 0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 -0.23950 0.32475 271 4YY 0.00000 0.00000 0.00000 -0.07088 0.22548 272 4ZZ 0.00000 0.00000 0.00000 0.28714 -0.50903 273 4XY 0.00000 0.00000 0.00000 0.05471 -0.16353 274 4XZ -0.29818 0.35528 -0.20140 0.00000 0.00000 275 4YZ 0.17215 -0.19901 0.12675 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 -0.03140 0.02295 277 2S 0.00000 0.00000 0.00000 -0.14897 0.07987 278 2PX 0.00000 0.00000 0.00000 -0.14239 0.29819 279 2PY 0.00000 0.00000 0.00000 -0.03696 0.12891 280 2PZ 0.00022 0.00134 0.00053 0.00000 0.00000 281 3S 0.00000 0.00000 0.00000 2.03457 -1.55518 282 3PX 0.00000 0.00000 0.00000 -0.16955 0.54865 283 3PY 0.00000 0.00000 0.00000 0.65116 -0.19327 284 3PZ -0.00618 0.00212 -0.01559 0.00000 0.00000 285 4XX 0.00000 0.00000 0.00000 0.25110 -0.39914 286 4YY 0.00000 0.00000 0.00000 -0.05362 0.26669 287 4ZZ 0.00000 0.00000 0.00000 -0.19959 0.15415 288 4XY 0.00000 0.00000 0.00000 -0.05266 0.05589 289 4XZ -0.29064 0.35199 -0.19172 0.00000 0.00000 290 4YZ -0.19178 0.22750 -0.13913 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00221 0.02357 292 2S 0.00000 0.00000 0.00000 0.04450 -0.01339 293 2PX 0.00000 0.00000 0.00000 -0.03829 0.06592 294 2PY 0.00000 0.00000 0.00000 -0.03831 -0.05976 295 2PZ 0.01764 -0.01765 0.01348 0.00000 0.00000 296 3S 0.00000 0.00000 0.00000 -0.72631 -0.59791 297 3PX 0.00000 0.00000 0.00000 -0.17155 0.72044 298 3PY 0.00000 0.00000 0.00000 1.36186 -0.80286 299 3PZ 0.01524 -0.00716 0.02708 0.00000 0.00000 300 4XX 0.00000 0.00000 0.00000 -0.13943 0.07476 301 4YY 0.00000 0.00000 0.00000 0.16438 -0.25074 302 4ZZ 0.00000 0.00000 0.00000 -0.01561 0.16421 303 4XY 0.00000 0.00000 0.00000 -0.02878 -0.07272 304 4XZ -0.04322 0.03688 -0.05322 0.00000 0.00000 305 4YZ -0.29925 0.37967 -0.19147 0.00000 0.00000 306 30 H 1S 0.00000 0.00000 0.00000 0.04117 -0.04738 307 2S 0.00000 0.00000 0.00000 1.05277 -0.81858 308 31 H 1S 0.00000 0.00000 0.00000 -0.06112 0.00392 309 2S 0.00000 0.00000 0.00000 0.06104 0.01168 310 32 H 1S 0.00000 0.00000 0.00000 0.01377 -0.02440 311 2S 0.00000 0.00000 0.00000 -0.22879 0.40559 312 33 H 1S 0.00000 0.00000 0.00000 0.02826 0.05434 313 2S 0.00000 0.00000 0.00000 -0.04156 -0.04620 314 34 H 1S 0.00000 0.00000 0.00000 0.01926 -0.05975 315 2S 0.00000 0.00000 0.00000 0.15604 -1.32441 276 277 278 279 280 (A')--V (A')--V (E')--V (E')--V (E')--V Eigenvalues -- 2.53438 2.53947 2.55518 2.55518 2.62067 1 1 C 1S -0.00000 -0.09349 -0.00000 -0.00000 0.00000 2 2S -0.00000 -0.23235 -0.00000 -0.00000 0.00000 3 2PX -0.00000 -0.00000 -0.00213 0.02203 -0.09507 4 2PY -0.00000 -0.00000 0.02203 0.00213 -0.00034 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00007 4.09577 0.00000 0.00000 -0.00000 7 3PX -0.00000 0.00000 -0.39609 4.10301 -0.43027 8 3PY -0.00000 -0.00000 4.10301 0.39609 -0.00153 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00000 0.14354 -0.01367 0.14163 -0.18473 11 4YY 0.00000 0.14354 0.01367 -0.14163 0.18473 12 4ZZ -0.00001 -0.46077 -0.00000 -0.00000 0.00000 13 4XY 0.00000 0.00000 -0.16354 -0.01579 0.00076 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.00000 -0.01676 0.00099 -0.01023 0.06182 17 2S 0.00000 0.01944 -0.00584 0.06048 0.44813 18 2PX 0.00000 0.11320 -0.00237 0.02457 -0.00120 19 2PY 0.01959 -0.00000 0.06230 0.00601 -0.00026 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S 0.00002 1.06686 -0.03921 0.40631 -4.58673 22 3PX 0.00003 2.09538 -0.43120 4.46678 -3.61910 23 3PY -1.35281 0.00002 -1.31109 -0.12657 -0.00232 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX -0.00000 -0.24046 0.02987 -0.30943 -0.03888 26 4YY 0.00001 0.33765 -0.03930 0.40717 -0.26263 27 4ZZ -0.00000 -0.08101 0.00642 -0.06654 0.28296 28 4XY -0.26425 0.00000 0.38675 0.03733 0.00034 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.01709 0.00983 -0.01907 0.02030 -0.05862 32 2S 0.04427 0.11712 -0.11894 0.16045 -0.35637 33 2PX -0.14039 0.19636 0.10884 0.17789 -0.02654 34 2PY -0.05058 0.04846 0.07410 0.06640 -0.07408 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -0.67395 -1.15453 1.46989 -1.99964 4.79574 37 3PX -1.39621 -0.11275 0.19165 -0.37290 1.18492 38 3PY -0.56744 1.11753 -0.61433 1.87086 -2.49794 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX -0.32998 0.08425 0.29399 0.01182 0.26019 41 4YY 0.25740 -0.07803 -0.25415 -0.07297 0.04522 42 4ZZ 0.10889 0.03081 -0.10339 0.08754 -0.27921 43 4XY 0.00196 -0.22454 0.03013 -0.20180 0.00328 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.04370 -0.01071 0.03708 -0.00449 0.06019 47 2S 0.01512 -0.11098 -0.03029 -0.11193 0.44642 48 2PX -0.14630 0.04151 0.09310 -0.05625 0.12155 49 2PY -0.09653 -0.01271 0.14046 0.04441 0.01141 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 1.84557 1.10614 -1.39515 1.31013 -4.81013 52 3PX -0.54140 0.12448 0.02201 -0.09190 1.23470 53 3PY -0.33012 -0.87286 0.70559 -0.98394 2.46422 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.23630 -0.29425 -0.12687 -0.24041 -0.06281 56 4YY 0.05542 0.34264 -0.15745 0.25230 -0.32874 57 4ZZ -0.28080 -0.05216 0.23426 0.00412 0.31584 58 4XY -0.27550 -0.08895 0.27600 0.05880 -0.20492 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.02391 -0.00120 0.01238 -0.05466 62 2S 0.00000 0.03913 -0.00911 0.09438 -0.43328 63 2PX 0.00000 0.13064 -0.00641 0.06641 -0.06776 64 2PY -0.34958 0.00001 0.36564 0.03530 0.00087 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.00004 -1.83492 0.17928 -1.85701 4.86572 67 3PX 0.00001 0.70676 -0.07226 0.74842 -2.74210 68 3PY -0.35027 0.00001 0.72670 0.07015 0.00159 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.00001 -0.32813 0.03358 -0.34788 0.52993 71 4YY 0.00000 0.08670 -0.02010 0.20824 -0.18292 72 4ZZ 0.00000 0.15464 -0.00603 0.06247 -0.28555 73 4XY 0.34614 -0.00001 -0.46171 -0.04457 -0.00080 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.04370 -0.01072 -0.03554 -0.01150 0.06003 77 2S -0.01513 -0.11098 0.05115 -0.10407 0.44674 78 2PX 0.14630 0.04150 -0.08063 -0.07302 0.12101 79 2PY -0.09653 0.01271 0.14636 -0.01672 -0.01096 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S -1.84553 1.10621 1.11875 1.55282 -4.80617 82 3PX 0.54140 0.12445 -0.00402 -0.09442 1.23550 83 3PY -0.33008 0.87287 0.50434 1.10074 -2.46132 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX -0.23631 -0.29424 0.17052 -0.21170 -0.06193 86 4YY -0.05541 0.34265 0.10628 0.27776 -0.32852 87 4ZZ 0.28079 -0.05218 -0.23072 -0.04076 0.31480 88 4XY -0.27549 0.08896 0.28215 -0.00492 0.20663 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.01709 0.00984 0.01483 0.02357 -0.05846 92 2S -0.04427 0.11712 0.08605 0.18023 -0.35574 93 2PX 0.14040 0.19636 -0.14086 0.15379 -0.02728 94 2PY -0.05058 -0.04846 0.08543 -0.05100 0.07422 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.67391 -1.15456 -1.06024 -2.24390 4.78978 97 3PX 1.39621 -0.11280 -0.11677 -0.40268 1.18655 98 3PY -0.56748 -1.11751 -0.24512 -1.95383 2.49592 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.32998 0.08424 -0.29083 -0.04464 0.25869 101 4YY -0.25741 -0.07802 0.26342 -0.02301 0.04614 102 4ZZ -0.10889 0.03081 0.08473 0.10570 -0.27829 103 4XY 0.00197 0.22454 -0.00903 0.20384 -0.00225 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.13097 -0.11266 -0.08050 -0.14627 0.01127 107 2S -0.79132 -0.27964 0.01590 -0.70141 0.77893 108 9 H 1S -0.03596 -0.05346 0.04418 -0.05034 0.13663 109 2S -0.04932 0.18360 0.08412 0.27432 -0.70256 110 10 H 1S 0.00000 0.18345 -0.01823 0.18883 -0.19700 111 2S -0.00000 -0.21222 0.02078 -0.21521 0.69961 112 11 H 1S 0.03596 -0.05346 -0.03373 -0.05786 0.13613 113 2S 0.04933 0.18360 -0.13504 0.25317 -0.70287 114 12 H 1S -0.13098 -0.11266 0.10699 -0.12818 0.01191 115 2S 0.79131 -0.27967 0.11855 -0.69151 0.77764 116 13 C 1S -0.00000 -0.01676 -0.00936 0.00426 -0.03072 117 2S 0.00000 0.01944 0.05529 -0.02518 -0.22269 118 2PX -0.01697 -0.05660 0.01124 0.05444 -0.05562 119 2PY -0.00979 0.09803 0.03242 0.01962 -0.03143 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 0.00002 1.06686 0.37148 -0.16920 2.27930 122 3PX 1.17155 -1.04771 -2.51476 -0.10814 -1.39133 123 3PY 0.67643 1.81464 3.26384 -2.21013 1.27338 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.19819 0.19312 0.08769 -0.36015 0.03952 126 4YY 0.19819 -0.09593 0.00167 0.31945 0.11031 127 4ZZ -0.00000 -0.08101 -0.06084 0.02771 -0.14061 128 4XY 0.13213 0.28905 0.40811 0.02760 0.09772 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S -0.01709 0.00984 0.01300 -0.02463 0.00954 132 2S -0.04427 0.11712 0.11306 -0.16464 0.10080 133 2PX -0.02639 -0.05621 -0.02656 0.01944 -0.00501 134 2PY 0.14688 0.19428 0.21978 0.06330 0.11708 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.67391 -1.15456 -1.41315 2.04014 -1.65004 137 3PX -0.20665 1.02419 1.50441 -1.18111 1.25418 138 3PY 1.49289 0.46107 0.53330 -0.33265 -0.18575 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX -0.10909 0.13095 0.04875 -0.16450 -0.18040 141 4YY 0.18166 -0.12473 -0.09362 0.22206 0.10154 142 4ZZ -0.10889 0.03081 0.04918 -0.12623 0.02542 143 4XY -0.29468 -0.19340 -0.21972 -0.19835 -0.03246 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.04370 -0.01072 0.00781 0.03653 -0.01028 147 2S -0.01513 -0.11098 -0.11570 0.00774 -0.26014 148 2PX 0.01045 -0.03176 0.08738 0.04936 0.03991 149 2PY 0.17496 0.02959 0.02398 0.15129 0.03001 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -1.84553 1.10621 0.78541 -1.74528 1.90363 152 3PX 0.01516 -0.81815 -0.56729 0.82954 -0.39590 153 3PY 0.63391 -0.32865 -0.41963 0.53747 -1.05079 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX -0.30726 0.25014 -0.03559 -0.36506 -0.15049 156 4YY 0.01553 -0.20174 -0.04559 0.09232 0.21064 157 4ZZ 0.28079 -0.05218 0.08006 0.22019 -0.02990 158 4XY 0.22820 0.27396 0.30067 0.02639 0.26204 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.02391 0.01132 -0.00515 0.02716 162 2S 0.00000 0.03913 0.08629 -0.03930 0.21531 163 2PX 0.30274 -0.06533 0.10149 0.30334 0.16671 164 2PY 0.17479 0.11314 0.12871 0.14320 0.13513 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.00004 -1.83492 -1.69786 0.77324 -2.41793 167 3PX 0.30333 -0.35339 -0.08008 0.73122 -0.34444 168 3PY 0.17515 0.61207 0.74390 0.06233 1.37458 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.25960 -0.01701 0.20747 0.28778 0.14854 171 4YY -0.25961 -0.22442 -0.33514 -0.22964 -0.32098 172 4ZZ 0.00000 0.15464 0.05712 -0.02601 0.14190 173 4XY -0.17307 0.20742 0.15810 -0.32685 0.07965 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.04370 -0.01071 -0.02243 -0.02987 -0.04946 177 2S 0.01512 -0.11098 -0.08179 0.08220 -0.18370 178 2PX 0.15675 -0.00975 0.07515 0.15083 0.11584 179 2PY -0.07843 0.04230 -0.06662 0.02646 -0.07928 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 1.84557 1.10614 1.83218 0.55317 2.87502 182 3PX 0.55659 0.69368 1.08878 0.08969 1.62554 183 3PY -0.30380 0.54423 0.52400 0.08283 0.34330 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.10598 0.11671 0.12142 -0.13615 0.09696 186 4YY 0.39771 -0.06831 0.03104 0.37643 0.23150 187 4ZZ -0.28080 -0.05216 -0.11356 -0.20493 -0.28349 188 4XY 0.04731 0.36292 0.26453 0.02428 0.07960 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.01709 0.00983 0.02712 0.00636 0.04864 192 2S 0.04427 0.11712 0.19842 0.02278 0.25307 193 2PX 0.11400 -0.14015 -0.06753 0.17593 0.02170 194 2PY -0.09629 0.14582 0.07606 -0.10998 -0.07656 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.67395 -1.15453 -2.46669 -0.27314 -3.11332 197 3PX 1.18952 -0.91144 -1.45978 0.33912 -1.09368 198 3PY -0.92544 -0.65640 -1.32635 0.21944 -1.08236 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.11203 -0.20586 -0.12866 0.18342 -0.10728 201 4YY -0.18460 0.21209 0.05577 -0.18735 -0.11712 202 4ZZ 0.10889 0.03081 0.12751 0.04577 0.25161 203 4XY 0.29271 0.03113 0.19523 0.22115 0.26480 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.13098 -0.11266 -0.16450 -0.02857 -0.08427 207 2S 0.79131 -0.27967 -0.65814 0.24308 -0.22912 208 20 H 1S 0.03596 -0.05346 -0.03325 0.05815 -0.00603 209 2S 0.04933 0.18360 0.28677 -0.00963 0.38761 210 21 H 1S 0.00000 0.18345 0.17265 -0.07863 0.09790 211 2S -0.00000 -0.21222 -0.19677 0.08961 -0.34766 212 22 H 1S -0.03596 -0.05346 -0.06569 -0.01309 -0.12951 213 2S -0.04932 0.18360 0.19551 -0.21001 0.31079 214 23 H 1S 0.13097 -0.11266 -0.08643 0.14285 0.07276 215 2S -0.79132 -0.27964 -0.61539 0.33693 -0.54439 216 24 C 1S -0.00000 -0.01676 0.00837 0.00597 -0.03110 217 2S 0.00000 0.01944 -0.04945 -0.03529 -0.22544 218 2PX 0.01696 -0.05660 -0.02144 0.05129 -0.05540 219 2PY -0.00980 -0.09803 0.03558 -0.01306 0.03129 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S 0.00002 1.06686 -0.33227 -0.23711 2.30744 222 3PX -1.17158 -1.04767 2.48901 0.37490 -1.40043 223 3PY 0.67637 -1.81466 2.78079 2.79365 -1.29377 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.19819 0.19312 -0.01719 -0.37027 0.04105 226 4YY -0.19819 -0.09593 -0.06274 0.31323 0.11063 227 4ZZ -0.00000 -0.08101 0.05442 0.03883 -0.14235 228 4XY 0.13212 -0.28905 0.40585 0.05097 -0.09823 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S -0.01709 0.00984 -0.02783 0.00106 0.04892 232 2S -0.04427 0.11712 -0.19911 -0.01559 0.25494 233 2PX -0.11400 -0.14014 0.03263 0.18560 0.02097 234 2PY -0.09630 -0.14582 0.05362 0.12250 0.07636 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S 0.67391 -1.15456 2.47339 0.20376 -3.13974 237 3PX -1.18956 -0.91139 1.36795 0.61209 -1.10203 238 3PY -0.92541 0.65644 -1.25989 -0.46911 1.09652 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX -0.11203 -0.20586 0.09119 0.20464 -0.10767 241 4YY 0.18461 0.21208 -0.01890 -0.19456 -0.11830 242 4ZZ -0.10889 0.03081 -0.13391 0.02053 0.25286 243 4XY 0.29271 -0.03114 0.23393 -0.17972 -0.26460 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.04370 -0.01072 0.02773 -0.02503 -0.04975 247 2S -0.01513 -0.11098 0.06456 0.09633 -0.18659 248 2PX -0.15675 -0.00974 -0.10261 0.13367 0.11595 249 2PY -0.07843 -0.04230 -0.06033 -0.03871 0.07977 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -1.84553 1.10621 -1.90416 0.19245 2.90254 252 3PX -0.55656 0.69370 -1.08583 -0.12025 1.64136 253 3PY -0.30383 -0.54422 0.53016 0.01893 -0.34322 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.10599 0.11670 -0.09314 -0.15686 0.09996 256 4YY -0.39771 -0.06830 -0.10247 0.36354 0.23034 257 4ZZ 0.28079 -0.05218 0.15066 -0.17942 -0.28491 258 4XY 0.04730 -0.36292 0.26429 0.02678 -0.07952 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.02391 -0.01012 -0.00723 0.02750 262 2S 0.00000 0.03913 -0.07718 -0.05508 0.21797 263 2PX -0.30275 -0.06531 -0.15765 0.27833 0.16575 264 2PY 0.17479 -0.11314 0.15373 -0.11594 -0.13506 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.00004 -1.83492 1.51858 1.08377 -2.44778 267 3PX -0.30335 -0.35337 -0.06127 0.73304 -0.35423 268 3PY 0.17512 -0.61207 0.74208 0.08113 -1.38835 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX -0.25960 -0.01700 -0.25869 0.24279 0.14797 271 4YY 0.25960 -0.22443 0.37288 -0.16129 -0.32254 272 4ZZ 0.00000 0.15464 -0.05109 -0.03646 0.14365 273 4XY -0.17307 -0.20741 0.09266 0.35106 -0.08224 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.04370 -0.01071 -0.01465 0.03436 -0.01073 277 2S 0.01512 -0.11098 0.11208 0.02973 -0.26273 278 2PX -0.01045 -0.03176 -0.09521 0.03174 0.04016 279 2PY 0.17496 -0.02959 0.05247 -0.14390 -0.02899 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 1.84557 1.10614 -0.43703 -1.86330 1.93511 282 3PX -0.01519 -0.81815 0.39813 0.92275 -0.40666 283 3PY 0.63392 0.32863 -0.30906 -0.60782 1.06528 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX 0.30727 0.25013 0.10477 -0.35151 -0.14900 286 4YY -0.01554 -0.20174 0.02709 0.09934 0.21209 287 4ZZ -0.28080 -0.05216 -0.12070 0.20081 -0.03235 288 4XY 0.22819 -0.27397 0.30017 0.03161 -0.26290 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.01709 0.00983 -0.00805 -0.02666 0.00998 292 2S 0.04427 0.11712 -0.07948 -0.18323 0.10330 293 2PX 0.02639 -0.05621 0.02235 0.02417 -0.00457 294 2PY 0.14687 -0.19428 0.22783 -0.02009 -0.11709 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -0.67395 -1.15453 0.99679 2.27278 -1.68243 297 3PX 0.20669 1.02418 -1.25069 -1.44707 1.27155 298 3PY 1.49288 -0.46112 0.45983 0.42852 0.18318 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.10909 0.13094 -0.01638 -0.17078 -0.18045 301 4YY -0.18166 -0.12472 0.04942 0.23586 0.09943 302 4ZZ 0.10889 0.03081 -0.02412 -0.13331 0.02759 303 4XY -0.29467 0.19341 -0.25361 0.15266 0.03147 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.13098 -0.11266 0.05751 0.15675 0.07236 307 2S 0.79131 -0.27967 0.53959 0.44842 -0.54852 308 31 H 1S 0.03596 -0.05346 0.06698 -0.00028 -0.13010 309 2S 0.04933 0.18360 -0.15173 -0.24353 0.31526 310 32 H 1S 0.00000 0.18345 -0.15442 -0.11020 0.09910 311 2S -0.00000 -0.21222 0.17599 0.12560 -0.35195 312 33 H 1S -0.03596 -0.05346 0.02151 0.06343 -0.00712 313 2S -0.04932 0.18360 -0.27963 -0.06431 0.39177 314 34 H 1S 0.13097 -0.11266 0.16693 0.00342 -0.08403 315 2S -0.79132 -0.27964 0.59949 0.36448 -0.23454 281 282 283 284 285 (E')--V (E')--V (E')--V (A')--V (E')--V Eigenvalues -- 2.62067 2.64427 2.64427 2.64559 2.68533 1 1 C 1S -0.00000 -0.00000 0.00000 -0.00276 0.00000 2 2S -0.00000 -0.00000 -0.00000 -0.22292 0.00000 3 2PX 0.00034 0.00397 -0.01465 0.00000 0.00845 4 2PY -0.09507 -0.01465 -0.00397 0.00000 -0.15106 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.00000 -0.00000 -0.00000 -1.39204 0.00000 7 3PX 0.00153 0.20099 -0.74101 -0.00000 -0.10464 8 3PY -0.43027 -0.74101 -0.20099 0.00000 1.86951 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00065 0.06041 -0.22273 0.06276 0.00191 11 4YY -0.00065 -0.06041 0.22273 0.06276 -0.00191 12 4ZZ -0.00000 -0.00000 -0.00000 -0.06701 0.00000 13 4XY 0.21331 0.25719 0.06975 -0.00000 0.03953 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.00022 -0.00643 0.02370 0.03421 0.00390 17 2S -0.00159 0.01656 -0.06108 0.24528 0.01374 18 2PX 0.00000 0.04483 -0.16530 0.10505 -0.00573 19 2PY -0.07362 -0.11271 -0.03057 -0.00000 -0.22988 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S 0.01625 0.40171 -1.48109 -1.97181 -0.17258 22 3PX 0.01282 0.29640 -1.09277 -1.71778 -0.16176 23 3PY -0.65480 -0.07662 -0.02077 0.00000 -1.75150 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX 0.00014 -0.04051 0.14938 0.03898 -0.01164 26 4YY 0.00093 0.07625 -0.28112 -0.14248 -0.00698 27 4ZZ -0.00100 -0.02979 0.10984 0.16005 0.02053 28 4XY 0.09709 -0.08751 -0.02373 -0.00000 -0.41307 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.02232 -0.04067 0.00583 -0.03686 -0.05552 32 2S -0.08647 -0.04418 0.01990 -0.21200 0.01228 33 2PX 0.10441 0.11639 -0.17796 0.07823 0.13948 34 2PY 0.02026 0.01328 -0.02220 -0.06101 -0.07857 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.82613 1.69282 -1.24923 2.83361 1.93023 37 3PX -0.23319 1.12962 -1.62367 0.93001 -0.32878 38 3PY -0.27639 -0.03246 -0.94166 -1.01768 -1.08446 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX 0.21149 0.35020 -0.33175 0.38260 0.27451 41 4YY -0.12872 -0.17435 0.24929 -0.15552 0.00440 42 4ZZ -0.12934 -0.21926 0.01607 -0.18286 -0.32145 43 4XY 0.14531 0.08772 0.39338 -0.11800 0.29410 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.02236 0.04299 -0.03803 0.03137 0.01481 47 2S -0.04563 0.09196 -0.19525 0.21436 0.08338 48 2PX 0.07598 0.18915 -0.11046 0.21501 0.24075 49 2PY 0.06349 0.00140 -0.05195 -0.03135 -0.17505 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S -0.54266 -2.08534 3.00752 -2.67235 -0.09740 52 3PX -0.11765 0.83327 -1.23097 0.97166 0.62462 53 3PY 0.40102 0.61047 -0.57199 1.07621 0.24221 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX -0.12327 -0.32734 0.33641 -0.19165 -0.37386 56 4YY -0.02993 0.08087 -0.06170 -0.05122 0.34021 57 4ZZ 0.14500 0.25021 -0.20564 0.16095 0.09505 58 4XY 0.24195 0.13814 0.22845 -0.29081 -0.03730 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00019 -0.00972 0.03582 -0.01649 -0.00058 62 2S 0.00153 -0.10084 0.37182 -0.31576 0.00267 63 2PX 0.00024 0.02139 -0.07887 0.07099 -0.00601 64 2PY 0.24423 0.20484 0.05556 0.00000 -0.09625 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.01723 0.52686 -1.94264 2.04203 0.07971 67 3PX 0.00971 -0.45971 1.69504 -1.37589 -0.02771 68 3PY 0.44826 0.08448 0.02291 -0.00000 -0.66941 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.00188 0.03095 -0.11412 0.31990 0.00101 71 4YY 0.00065 0.01232 -0.04543 -0.24830 0.00340 72 4ZZ 0.00101 -0.05240 0.19322 -0.06971 -0.00237 73 4XY -0.22463 -0.05355 -0.01453 0.00000 0.49306 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.02279 -0.01789 -0.05454 0.03137 -0.01390 77 2S 0.04246 0.01929 -0.21495 0.21436 -0.06903 78 2PX -0.07684 -0.10742 -0.19090 0.21501 -0.25278 79 2PY 0.06356 -0.02504 0.04554 0.03135 -0.17649 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.57672 0.28001 3.64904 -2.67235 0.01986 82 3PX 0.10890 -0.09712 -1.48330 0.97166 -0.63012 83 3PY 0.41847 0.23782 0.80206 -1.07621 0.13860 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.12371 0.11250 0.45569 -0.19165 0.38876 86 4YY 0.03226 -0.03861 -0.09410 -0.05123 -0.35671 87 4ZZ -0.14723 -0.11202 -0.30388 0.16095 -0.09117 88 4XY 0.24049 0.23464 -0.12735 0.29081 -0.04677 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.02273 0.03215 0.02557 -0.03686 0.05332 92 2S 0.08899 0.02807 0.03949 -0.21200 -0.02794 93 2PX -0.10422 -0.01052 -0.21238 0.07823 -0.15119 94 2PY 0.01974 0.00024 0.02587 0.06101 -0.07424 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.86008 -0.82968 -1.93336 2.83362 -1.74900 97 3PX 0.22479 -0.15444 -1.97193 0.93001 0.28813 98 3PY -0.29408 -0.50383 0.79622 1.01768 -0.85971 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX -0.21333 -0.13459 -0.46323 0.38259 -0.29839 101 4YY 0.12839 0.02450 0.30322 -0.15552 0.03026 102 4ZZ 0.13131 0.18109 0.12465 -0.18286 0.31044 103 4XY 0.14533 0.27446 -0.29516 0.11801 0.27266 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S -0.09052 -0.07990 -0.01051 0.06141 -0.01345 107 2S 0.17889 0.06228 0.91595 0.20049 -0.44426 108 9 H 1S 0.07067 0.10161 -0.06460 0.11243 0.11682 109 2S 0.04675 0.03277 0.25343 -0.36824 0.08581 110 10 H 1S 0.00070 0.01131 -0.04169 -0.10767 -0.00097 111 2S -0.00248 0.11776 -0.43418 0.37186 0.00447 112 11 H 1S -0.07163 -0.05505 -0.10709 0.11243 -0.11999 113 2S -0.04177 -0.15632 0.20215 -0.36824 -0.11251 114 12 H 1S 0.09044 0.07426 0.03130 0.06141 0.00950 115 2S -0.18440 -0.51655 0.75895 0.20049 0.57407 116 13 C 1S 0.05364 0.02374 -0.00628 0.03421 -0.06235 117 2S 0.38889 -0.06118 0.01620 0.24528 -0.21949 118 2PX -0.03116 0.05691 -0.11968 -0.05252 -0.13569 119 2PY -0.01919 -0.15833 -0.01849 0.09097 0.02743 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S -3.98035 -1.48352 0.39265 -1.97181 2.75654 122 3PX 1.28852 0.52969 -0.21130 0.85889 -1.97669 123 3PY -2.88257 -0.95808 0.21251 -1.48764 1.84202 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.21555 -0.15638 0.11174 -0.09712 0.27001 126 4YY -0.04610 0.02442 -0.07681 -0.00639 0.02742 127 4ZZ 0.24555 0.11002 -0.02912 0.16005 -0.32795 128 4XY -0.07296 -0.22720 0.01324 -0.09073 -0.13044 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S -0.06199 0.00607 -0.04063 -0.03686 -0.00706 132 2S -0.35258 0.02016 -0.04406 -0.21200 0.13407 133 2PX -0.06136 0.07004 -0.04627 -0.09195 -0.07948 134 2PY -0.00253 -0.16587 0.10643 0.03724 0.13782 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 4.57811 -1.25950 1.68521 2.83362 -0.61679 137 3PX -2.45687 -0.00007 -0.59296 -1.34634 1.08164 138 3PY -0.36171 -1.88280 0.95059 0.29658 0.83843 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00853 -0.19034 -0.11016 0.06751 -0.09949 141 4YY 0.29792 0.10682 0.28551 0.15956 0.13693 142 4ZZ -0.30666 0.01740 -0.21916 -0.18286 -0.05472 143 4XY -0.14016 0.48853 -0.21544 -0.32806 -0.32301 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.06338 -0.03829 0.04276 0.03137 -0.00083 147 2S 0.36565 -0.19580 0.09077 0.21436 -0.08019 148 2PX -0.03586 0.01081 -0.09330 -0.13465 -0.18246 149 2PY 0.14467 -0.12264 0.16377 0.17053 0.13429 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -4.45062 3.02016 -2.06701 -2.67235 0.59291 152 3PX 1.51943 0.11945 0.11279 0.44620 -0.80575 153 3PY 2.04987 -1.35827 1.01863 1.37959 -0.08748 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX -0.21032 -0.13275 -0.12560 0.13177 0.21502 156 4YY -0.20581 0.40895 -0.11919 -0.37465 -0.21702 157 4ZZ 0.34624 -0.20716 0.24895 0.16095 0.01104 158 4XY -0.12192 -0.08649 0.27265 -0.07519 0.24283 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.04744 0.03588 -0.00950 -0.01649 0.00924 162 2S -0.37600 0.37243 -0.09858 -0.31576 -0.04258 163 2PX 0.13451 0.08653 0.16723 -0.03549 -0.08562 164 2PY 0.00976 -0.04126 0.12069 0.06148 0.06137 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 4.22245 -1.94580 0.51505 2.04203 -1.27323 167 3PX 1.38270 -0.82951 0.29798 0.68794 -0.48308 168 3PY -1.94941 1.48154 -0.34688 -1.19155 0.23220 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.07963 -0.05206 0.05683 -0.10625 -0.21171 171 4YY 0.22150 -0.10776 -0.01453 0.17785 0.14131 172 4ZZ -0.24780 0.19353 -0.05123 -0.06971 0.03784 173 4XY -0.36512 0.02730 -0.03593 -0.28410 0.09224 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.04094 -0.05443 -0.01822 0.03137 -0.01379 177 2S 0.40943 -0.21507 0.01798 0.21436 -0.14901 178 2PX -0.01471 0.13469 0.03284 -0.08036 -0.05111 179 2PY 0.06919 -0.14191 -0.10641 0.20188 -0.04719 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -3.89437 3.64726 0.30220 -2.67235 0.64586 182 3PX -2.23857 1.43468 0.26325 -1.41786 0.91082 183 3PY 0.01018 -0.88375 0.02941 0.30338 0.24938 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.42432 0.13993 -0.17596 -0.30444 -0.04834 186 4YY 0.16183 0.22121 0.25206 0.06156 0.07600 187 4ZZ 0.20102 -0.30320 -0.11386 0.16095 -0.07304 188 4XY 0.01073 -0.33882 0.03970 0.21562 -0.01106 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S -0.03960 0.02538 0.03231 -0.03686 0.04209 192 2S -0.26539 0.03932 0.02831 -0.21200 0.11591 193 2PX 0.10193 0.12856 0.00626 0.01372 -0.07375 194 2PY -0.02797 -0.17093 -0.01003 0.09825 -0.01042 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 3.74017 -1.92828 -0.84141 2.83361 -2.27809 197 3PX 1.18239 1.67767 -0.34887 0.41633 -2.16645 198 3PY 2.00221 -1.30726 -0.39362 1.31425 -0.71522 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.05518 0.33431 -0.21909 -0.10950 -0.41227 201 4YY 0.16794 -0.49365 0.10803 0.33657 0.20272 202 4ZZ -0.17713 0.12355 0.18185 -0.18286 0.23060 203 4XY 0.02688 0.23433 0.21821 -0.21006 -0.01657 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.03490 -0.01002 -0.07996 0.06141 0.02640 207 2S 0.76566 0.91555 0.06787 0.20049 -1.26658 208 20 H 1S 0.15370 -0.06522 0.10122 0.11243 0.07876 209 2S -0.58782 0.25323 0.03431 -0.36824 0.25803 210 21 H 1S -0.17095 -0.04176 0.01105 -0.10767 0.01554 211 2S 0.60712 -0.43489 0.11511 0.37186 -0.07146 212 22 H 1S 0.08299 -0.10676 -0.05570 0.11243 -0.02816 213 2S -0.63181 0.20309 -0.15510 -0.36824 0.16848 214 23 H 1S 0.05502 0.03085 0.07445 0.06141 0.03676 215 2S 0.58513 0.76209 -0.51191 0.20049 -0.80678 216 24 C 1S -0.05342 -0.01731 -0.01742 0.03421 0.05845 217 2S -0.38730 0.04462 0.04489 0.24528 0.20575 218 2PX 0.03155 0.01136 -0.13204 -0.05252 0.15212 219 2PY -0.01942 -0.14598 -0.06404 -0.09097 0.01132 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S 3.96411 1.08181 1.08844 -1.97181 -2.58396 222 3PX -1.27863 -0.35033 -0.45001 0.85889 2.04285 223 3PY -2.87348 -0.71938 -0.66750 1.48764 1.61704 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.21526 0.07849 0.17544 -0.09712 -0.29189 226 4YY 0.04531 0.01773 -0.07862 -0.00639 0.01308 227 4ZZ -0.24455 -0.08023 -0.08072 0.16005 0.30742 228 4XY -0.07227 -0.18938 -0.12622 0.09073 -0.14814 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.03926 -0.03822 0.01506 -0.03686 -0.04626 232 2S 0.26359 -0.04824 0.00457 -0.21200 -0.10614 233 2PX -0.10208 -0.11410 -0.05956 0.01372 0.06832 234 2PY -0.02851 -0.15258 -0.07771 -0.09825 -0.03031 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -3.71803 2.08918 0.24815 2.83362 2.36579 237 3PX -1.17461 -1.27148 -1.14875 0.41633 2.15552 238 3PY 1.99449 -1.32701 -0.32082 -1.31425 -0.69785 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX -0.05442 -0.17780 -0.35799 -0.10950 0.42082 241 4YY -0.16710 0.37142 0.34265 0.33657 -0.19014 242 4ZZ 0.17535 -0.19850 0.09451 -0.18286 -0.25572 243 4XY 0.02875 0.31246 -0.06991 0.21006 0.02094 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S -0.04059 0.05617 0.01178 0.03137 0.01473 247 2S -0.40812 0.17651 0.12418 0.21436 0.14922 248 2PX 0.01389 -0.13283 -0.03971 -0.08036 0.05152 249 2PY 0.06863 -0.17623 0.02013 -0.20188 -0.08200 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 3.87391 -3.30016 -1.58203 -2.67235 -0.61277 252 3PX 2.22700 -1.37110 -0.49770 -1.41786 -0.91372 253 3PY 0.01261 -0.74778 -0.47191 -0.30338 0.17766 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.42362 -0.03185 -0.22255 -0.30444 0.06215 256 4YY -0.16347 -0.31825 0.10575 0.06156 -0.09220 257 4ZZ -0.19901 0.31918 0.05493 0.16095 0.08013 258 4XY 0.01130 -0.27233 -0.20545 -0.21562 -0.05869 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.04724 -0.02617 -0.02633 -0.01649 -0.00867 262 2S 0.37446 -0.27158 -0.27324 -0.31576 0.03992 263 2PX -0.13569 -0.15917 0.10059 -0.03549 0.09069 264 2PY 0.01071 0.02538 -0.12500 -0.06148 0.05150 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -4.20522 1.41894 1.42759 2.04203 1.19352 267 3PX -1.38023 0.56528 0.67626 0.68794 0.52542 268 3PY -1.93962 1.10326 1.04791 1.19156 0.17576 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX -0.08068 0.01621 0.07534 -0.10625 0.24476 271 4YY -0.21922 0.10033 0.04191 0.17785 -0.17876 272 4ZZ 0.24679 -0.14113 -0.14199 -0.06971 -0.03547 273 4XY -0.36454 0.00541 0.04480 0.28410 0.11733 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.06330 0.01144 0.05624 0.03137 -0.00102 277 2S -0.36380 0.12311 0.17726 0.21436 0.06563 278 2PX 0.03558 0.03782 -0.08598 -0.13465 0.20554 279 2PY 0.14488 -0.02309 -0.20329 -0.17053 0.14163 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 4.43702 -1.56192 -3.30972 -2.67235 -0.54847 282 3PX -1.51659 -0.16006 0.03697 0.44620 0.77393 283 3PY 2.04238 -0.65747 -1.56532 -1.37959 -0.00207 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX 0.21138 0.17802 -0.04131 0.13177 -0.22629 286 4YY 0.20431 -0.29269 -0.30948 -0.37465 0.23228 287 4ZZ -0.34602 0.05299 0.31951 0.16095 -0.02200 288 4XY -0.12007 0.06312 -0.27899 0.07519 0.27068 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.06192 0.01529 -0.03813 -0.03686 0.01343 292 2S 0.35186 0.00486 -0.04821 -0.21200 -0.12820 293 2PX 0.06140 -0.03706 -0.07531 -0.09195 0.09188 294 2PY -0.00170 -0.08936 -0.17565 -0.03724 0.14017 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -4.56630 0.23546 2.09064 2.83361 0.34786 297 3PX 2.44792 0.29964 -0.51165 -1.34634 -0.92784 298 3PY -0.36302 -1.14448 -1.77164 -0.29658 0.69163 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX -0.00726 0.21992 0.00110 0.06751 0.11212 301 4YY -0.29863 -0.23643 0.19241 0.15956 -0.18146 302 4ZZ 0.30647 0.09571 -0.19792 -0.18286 0.09085 303 4XY -0.14039 0.31273 0.43276 0.32806 -0.30379 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.05553 -0.06424 0.04866 0.06141 -0.03590 307 2S -0.58126 -0.39900 -0.82683 0.20049 0.69251 308 31 H 1S -0.08207 0.12027 0.00587 0.11243 0.04123 309 2S 0.62959 -0.09690 -0.23645 -0.36824 -0.14551 310 32 H 1S 0.17026 0.03045 0.03064 -0.10767 -0.01456 311 2S -0.60465 0.31714 0.31907 0.37186 0.06699 312 33 H 1S -0.15366 0.00514 0.12030 0.11243 -0.08865 313 2S 0.58506 -0.23586 -0.09834 -0.36824 -0.25429 314 34 H 1S 0.03550 0.04905 -0.06394 0.06141 -0.02331 315 2S -0.76402 -0.82437 -0.40403 0.20049 1.25103 286 287 288 289 290 (E')--V (A')--V (A')--V (E')--V (E')--V Eigenvalues -- 2.68533 2.75772 2.78733 2.80902 2.80902 1 1 C 1S 0.00000 -0.00000 0.17293 0.00000 0.00000 2 2S -0.00000 -0.00000 0.41990 0.00000 0.00000 3 2PX -0.15106 0.00000 0.00000 0.00048 -0.05532 4 2PY -0.00845 0.00000 -0.00000 0.05532 0.00048 5 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 6 3S -0.00000 0.00003 -4.46839 -0.00000 -0.00000 7 3PX 1.86951 -0.00000 0.00000 0.03146 -3.63160 8 3PY 0.10464 0.00000 -0.00000 3.63160 0.03146 9 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 10 4XX -0.03424 0.00000 -0.21982 0.00437 -0.50427 11 4YY 0.03424 0.00000 -0.21982 -0.00437 0.50427 12 4ZZ 0.00000 -0.00000 0.79545 0.00000 0.00000 13 4XY 0.00221 -0.00000 0.00000 -0.58229 -0.00504 14 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 16 2 C 1S -0.06974 0.00000 -0.10992 0.00105 -0.12121 17 2S -0.24551 0.00000 -0.44677 0.00269 -0.31093 18 2PX 0.10246 -0.00000 0.06668 -0.00009 0.01052 19 2PY -0.01287 0.04000 -0.00000 0.11527 0.00100 20 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 21 3S 3.08334 -0.00001 4.92882 -0.05029 5.80777 22 3PX 2.88987 0.00001 0.22328 0.00638 -0.73568 23 3PY -0.09803 1.93059 0.00001 -1.25813 -0.01090 24 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 25 4XX 0.20795 -0.00000 0.51541 -0.00492 0.56826 26 4YY 0.12475 0.00000 -0.10153 0.00191 -0.22064 27 4ZZ -0.36683 0.00000 -0.51952 0.00460 -0.53149 28 4XY -0.02312 0.29069 0.00000 0.03735 0.00032 29 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 31 3 C 1S 0.01654 0.04654 0.03331 -0.01766 0.03324 32 2S 0.14094 -0.00978 0.17774 0.04641 0.26473 33 2PX 0.11269 -0.12638 0.03704 0.08023 -0.03476 34 2PY 0.03441 0.02341 0.02948 -0.00695 0.02436 35 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 36 3S -1.51610 -1.79852 -2.11870 1.47509 -2.21275 37 3PX 0.34576 0.13662 0.22658 0.57521 0.40241 38 3PY 1.95326 1.30379 1.33240 -0.41508 0.97013 39 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 40 4XX 0.22939 -0.28461 0.10366 0.21241 0.08662 41 4YY -0.31033 0.08579 -0.24878 -0.15073 -0.30071 42 4ZZ 0.08069 0.23859 0.15638 -0.06738 0.16784 43 4XY -0.17569 -0.17646 -0.10296 -0.08943 -0.09429 44 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 46 4 C 1S -0.00738 -0.00976 -0.02858 0.00230 -0.03657 47 2S -0.12392 -0.09617 -0.24663 0.09962 -0.23804 48 2PX 0.12131 -0.23338 0.09001 0.20289 0.12486 49 2PY -0.02271 0.16714 -0.01911 -0.15316 -0.05791 50 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 51 3S 0.68955 0.08102 1.80111 -0.28077 1.97598 52 3PX 0.08414 -0.75543 -0.28626 0.97670 -0.26983 53 3PY -0.91496 -0.23941 -1.39439 -0.11166 -1.43515 54 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 55 4XX -0.15441 0.35900 -0.00982 -0.28653 0.06102 56 4YY 0.16692 -0.32571 0.14878 0.29066 0.11280 57 4ZZ -0.02947 -0.05567 -0.13822 -0.00217 -0.18501 58 4XY -0.08694 0.14410 -0.06188 -0.26289 -0.17127 59 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 61 5 C 1S 0.01034 -0.00000 0.02982 -0.00037 0.04280 62 2S -0.04763 -0.00000 0.09411 -0.00083 0.09537 63 2PX 0.10733 -0.00000 0.10978 -0.00116 0.13440 64 2PY -0.00539 0.14788 0.00000 -0.23672 -0.00205 65 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 66 3S -1.42418 0.00001 -2.58467 0.02514 -2.90286 67 3PX 0.49510 -0.00000 1.28394 -0.01288 1.48665 68 3PY -0.03746 0.73653 0.00000 -0.92632 -0.00802 69 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 70 4XX -0.01804 0.00000 -0.06019 -0.00042 0.04864 71 4YY -0.06072 0.00000 -0.10149 0.00232 -0.26776 72 4ZZ 0.04233 -0.00000 0.13109 -0.00176 0.20302 73 4XY 0.02759 -0.48120 -0.00000 0.47199 0.00409 74 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 76 6 C 1S -0.00898 0.00976 -0.02858 -0.00167 -0.03660 77 2S -0.13245 0.09617 -0.24663 -0.09548 -0.23973 78 2PX 0.09369 0.23338 0.09001 -0.20502 0.12132 79 2PY 0.00303 0.16714 0.01911 -0.15414 0.05525 80 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 81 3S 0.69610 -0.08103 1.80111 0.24650 1.98054 82 3PX 0.01392 0.75543 -0.28625 -0.97188 -0.28670 83 3PY 0.93627 -0.23942 1.39439 -0.13650 1.43301 84 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 85 4XX -0.11173 -0.35900 -0.00983 0.28543 0.06598 86 4YY 0.12792 0.32571 0.14879 -0.29257 0.10775 87 4ZZ -0.03989 0.05567 -0.13822 0.00537 -0.18495 88 4XY 0.08223 0.14410 0.06188 -0.26582 0.16669 89 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 91 7 C 1S 0.02264 -0.04654 0.03331 0.01708 0.03354 92 2S 0.13869 0.00978 0.17774 -0.05099 0.26389 93 2PX 0.09642 0.12638 0.03704 -0.07962 -0.03615 94 2PY -0.04296 0.02341 -0.02948 -0.00653 -0.02447 95 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 96 3S -1.72200 1.79852 -2.11868 -1.43655 -2.23796 97 3PX 0.38029 -0.13663 0.22658 -0.58209 0.39239 98 3PY -2.06207 1.30379 -1.33239 -0.39823 -0.97717 99 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 100 4XX 0.19733 0.28461 0.10366 -0.21388 0.08293 101 4YY -0.30889 -0.08579 -0.24878 0.15591 -0.29805 102 4ZZ 0.11605 -0.23859 0.15638 0.06446 0.16898 103 4XY 0.20741 -0.17646 0.10296 -0.09105 0.09272 104 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 106 8 H 1S 0.03468 0.03255 0.09173 -0.02685 0.12215 107 2S -1.18808 0.94140 -0.27948 -0.25287 0.07451 108 9 H 1S 0.03492 -0.08436 0.03083 0.01407 0.07290 109 2S 0.24408 -0.18077 0.35527 0.09963 0.31112 110 10 H 1S 0.01738 0.00000 0.00381 0.00048 -0.05588 111 2S -0.07994 0.00000 -0.27509 0.00263 -0.30313 112 11 H 1S 0.02167 0.08436 0.03083 -0.01533 0.07264 113 2S 0.23298 0.18077 0.35527 -0.10500 0.30935 114 12 H 1S 0.03597 -0.03255 0.09173 0.02473 0.12259 115 2S -1.13108 -0.94140 -0.27949 0.25153 0.07888 116 13 C 1S 0.03149 0.00000 -0.10992 0.10444 0.06151 117 2S 0.11086 0.00000 -0.44677 0.26792 0.15780 118 2PX -0.15485 -0.03464 -0.03334 0.05519 -0.08335 119 2PY -0.14282 -0.02000 0.05774 0.02140 -0.05429 120 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 121 3S -1.39221 -0.00001 4.92882 -5.00453 -2.94744 122 3PX -0.70365 -1.67194 -0.11164 -0.86993 0.75220 123 3PY -1.91296 -0.96529 0.19336 0.22975 0.86541 124 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 125 4XX 0.21125 0.21802 0.05271 0.00596 0.03602 126 4YY -0.36147 -0.21802 0.36118 -0.30550 -0.21244 127 4ZZ 0.16563 0.00000 -0.51952 0.45798 0.26973 128 4XY -0.16586 -0.14534 -0.30847 0.34938 0.18409 129 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 131 14 C 1S -0.05750 -0.04654 0.03331 -0.03759 -0.00198 132 2S -0.04515 0.00978 0.17774 -0.20304 -0.17610 133 2PX -0.11565 -0.08347 0.00701 -0.05674 0.01974 134 2PY 0.02875 0.09775 0.04682 0.04935 -0.04735 135 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 136 3S 2.37567 1.79852 -2.11868 2.65641 -0.12510 137 3PX -1.31785 -1.06080 1.04060 -0.88093 0.22569 138 3PY -1.26855 -0.77022 0.86242 -0.56492 -0.67833 139 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 140 4XX -0.11876 -0.12554 -0.08345 0.11782 0.06246 141 4YY 0.40675 0.32435 -0.06167 0.09746 -0.00509 142 4ZZ -0.32688 -0.23859 0.15638 -0.17857 -0.02867 143 4XY 0.15416 -0.09697 -0.22770 0.08991 0.31797 144 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 146 15 C 1S 0.01652 0.00976 -0.02858 0.03253 0.01685 147 2S 0.12601 0.09617 -0.24663 0.25535 0.03718 148 2PX -0.21709 -0.26144 -0.06156 -0.02403 0.25864 149 2PY 0.07335 0.11854 0.06840 -0.01683 -0.12574 150 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 151 3S -0.36525 -0.08103 1.80111 -1.83845 -0.77680 152 3PX 0.24000 -0.17037 -1.06445 0.64853 1.07204 153 3PY 0.76064 0.77394 -0.94510 1.22225 -0.18741 154 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 155 4XX 0.11306 0.26261 0.15554 -0.01882 -0.41205 156 4YY -0.14891 -0.29590 -0.01658 -0.12806 0.31900 157 4ZZ 0.09890 0.05567 -0.13822 0.15748 0.09713 158 4XY 0.26319 0.27030 0.04837 0.13214 -0.10395 159 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 161 16 C 1S -0.00467 -0.00000 0.02982 -0.03688 -0.02172 162 2S 0.02151 -0.00000 0.09411 -0.08218 -0.04840 163 2PX -0.05029 -0.12806 -0.05489 -0.04613 0.21076 164 2PY -0.08499 -0.07394 0.09508 -0.16036 0.04292 165 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 166 3S 0.64306 0.00001 -2.58467 2.50138 1.47321 167 3PX -0.40650 -0.63785 -0.64197 0.23339 1.06850 168 3PY -0.49283 -0.36827 1.11193 -1.34446 -0.25429 169 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 170 4XX -0.30800 -0.36090 -0.09116 -0.01708 0.40078 171 4YY 0.34356 0.36090 -0.07051 0.20590 -0.28958 172 4ZZ -0.01911 -0.00000 0.13109 -0.17494 -0.10303 173 4XY 0.23003 0.24060 -0.02065 0.25609 -0.12307 174 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 176 17 C 1S -0.00914 -0.00976 -0.02858 0.03052 0.02028 177 2S -0.01025 -0.09617 -0.24663 0.15634 0.20529 178 2PX -0.00654 -0.02806 -0.02845 -0.00497 0.03316 179 2PY -0.31456 -0.28568 0.08751 -0.24486 0.14994 180 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 181 3S -0.26043 0.08102 1.80111 -1.57086 -1.23114 182 3PX 0.07697 0.58506 1.35071 -0.99738 -1.02808 183 3PY -0.62876 -0.53452 0.44929 -0.86991 0.53893 184 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 185 4XX -0.12649 -0.04646 0.06272 0.05016 -0.02970 186 4YY 0.14938 0.07975 0.07624 -0.20276 -0.05364 187 4ZZ -0.06758 -0.05567 -0.13822 0.16131 0.09063 188 4XY -0.42742 -0.41440 0.11024 -0.30660 0.30801 189 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 191 18 C 1S 0.03981 0.04654 0.03331 -0.01996 -0.03191 192 2S -0.08111 -0.00978 0.17774 -0.25247 -0.09217 193 2PX 0.04454 0.04292 -0.04405 0.02026 -0.02767 194 2PY -0.17883 -0.12116 0.01734 0.00014 0.08433 195 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 196 3S -0.91358 -1.79852 -2.11870 1.17875 2.38384 197 3PX -0.02348 -1.19743 -1.26718 0.86591 0.58292 198 3PY 0.11559 -0.53358 -0.46998 -0.23457 0.67943 199 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 200 4XX -0.09973 -0.13915 -0.23789 0.30131 0.02729 201 4YY -0.10134 -0.05967 0.09277 -0.14675 0.13316 202 4ZZ 0.23804 0.23859 0.15638 -0.11166 -0.14227 203 4XY 0.33532 0.27343 -0.12474 0.19532 -0.04526 204 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 206 19 H 1S -0.02621 -0.03255 0.09173 -0.11854 -0.03988 207 2S 0.06838 -0.94140 -0.27949 -0.19408 0.17839 208 20 H 1S 0.09308 0.08436 0.03083 -0.05525 -0.04959 209 2S -0.01905 0.18077 0.35527 -0.21540 -0.24561 210 21 H 1S -0.00785 0.00000 0.00381 0.04815 0.02836 211 2S 0.03609 0.00000 -0.27509 0.26120 0.15384 212 22 H 1S -0.11863 -0.08436 0.03083 -0.07017 -0.02427 213 2S -0.19636 -0.18077 0.35527 -0.31925 -0.06928 214 23 H 1S -0.00569 0.03255 0.09173 -0.09235 -0.08433 215 2S 0.97878 0.94140 -0.27948 0.06190 -0.25625 216 24 C 1S 0.03825 0.00000 -0.10992 -0.10549 0.05970 217 2S 0.13466 0.00000 -0.44677 -0.27062 0.15313 218 2PX -0.13874 0.03464 -0.03334 -0.05374 -0.08429 219 2PY 0.14499 -0.02000 -0.05774 0.02046 0.05465 220 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 221 3S -1.69113 -0.00001 4.92882 5.05483 -2.86033 222 3PX -0.47867 1.67193 -0.11163 0.85677 0.76716 223 3PY 2.10658 -0.96530 -0.19337 0.24471 -0.86129 224 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 225 4XX 0.17980 -0.21802 0.05271 -0.00658 0.03592 226 4YY -0.36227 0.21802 0.36118 0.30914 -0.20712 227 4ZZ 0.20119 0.00000 -0.51952 -0.46259 0.26176 228 4XY 0.15027 -0.14535 0.30847 0.35251 -0.17801 229 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 231 25 C 1S 0.03486 -0.04654 0.03331 0.02051 -0.03156 232 2S -0.09354 0.00978 0.17774 0.25402 -0.08779 233 2PX 0.05249 -0.04292 -0.04405 -0.01978 -0.02802 234 2PY 0.17655 -0.12116 -0.01734 0.00160 -0.08431 235 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 236 3S -0.65368 1.79852 -2.11868 -1.21986 2.36307 237 3PX 0.21843 1.19743 -1.26717 -0.87587 0.56784 238 3PY -0.19467 -0.53357 0.46997 -0.22277 -0.68339 239 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 240 4XX -0.05310 0.13915 -0.23789 -0.30174 0.02207 241 4YY -0.12333 0.05967 0.09277 0.14442 0.13568 242 4ZZ 0.21083 -0.23859 0.15638 0.11411 -0.14032 243 4XY -0.33508 0.27343 0.12474 0.19451 0.04863 244 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 246 26 C 1S -0.00754 0.00976 -0.02858 -0.03086 0.01975 247 2S 0.00644 0.09617 -0.24663 -0.15987 0.20255 248 2PX -0.00080 0.02806 -0.02845 0.00440 0.03324 249 2PY 0.30734 -0.28568 -0.08751 -0.24223 -0.15416 250 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 251 3S -0.33085 -0.08103 1.80111 1.59195 -1.20374 252 3PX -0.02514 -0.58506 1.35071 1.01504 -1.01065 253 3PY 0.65267 -0.53451 -0.44930 -0.86044 -0.55391 254 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 255 4XX -0.12031 0.04646 0.06272 -0.04964 -0.03057 256 4YY 0.13997 -0.07975 0.07624 0.20366 -0.05012 257 4ZZ -0.05901 0.05567 -0.13822 -0.16286 0.08782 258 4XY 0.42352 -0.41440 -0.11025 -0.30122 -0.31327 259 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 261 27 C 1S -0.00567 -0.00000 0.02982 0.03726 -0.02108 262 2S 0.02613 -0.00000 0.09411 0.08300 -0.04697 263 2PX -0.04042 0.12806 -0.05489 0.04248 0.21152 264 2PY 0.09131 -0.07394 -0.09508 -0.15960 -0.04569 265 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 266 3S 0.78112 0.00001 -2.58467 -2.52652 1.42966 267 3PX -0.35006 0.63786 -0.64197 -0.25187 1.06430 268 3PY 0.51566 -0.36826 -1.11193 -1.34867 0.23097 269 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 270 4XX -0.28245 0.36090 -0.09116 0.01014 0.40102 271 4YY 0.32565 -0.36090 -0.07052 -0.20085 -0.29310 272 4ZZ -0.02321 -0.00000 0.13109 0.17670 -0.09999 273 4XY -0.21830 0.24060 0.02065 0.25392 0.12749 274 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 276 28 C 1S 0.01651 -0.00976 -0.02858 -0.03282 0.01629 277 2S 0.13417 -0.09617 -0.24663 -0.25595 0.03275 278 2PX -0.19537 0.26144 -0.06156 0.01954 0.25902 279 2PY -0.05791 0.11854 -0.06839 -0.01900 0.12543 280 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 281 3S -0.42912 0.08102 1.80111 1.85163 -0.74483 282 3PX 0.32841 0.17038 -1.06445 -0.66700 1.06065 283 3PY -0.76565 0.77393 0.94510 1.21882 0.20855 284 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 285 4XX 0.08836 -0.26261 0.15554 0.02596 -0.41166 286 4YY -0.12376 0.29590 -0.01658 0.12252 0.32117 287 4ZZ 0.09705 -0.05567 -0.13822 -0.15914 0.09439 288 4XY -0.23445 0.27030 -0.04836 0.13032 0.10623 289 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 291 29 C 1S -0.05635 0.04654 0.03331 0.03762 -0.00133 292 2S -0.05983 -0.00978 0.17774 0.20606 -0.17256 293 2PX -0.10605 0.08347 0.00701 0.05639 0.02072 294 2PY -0.01319 0.09775 -0.04682 0.04853 0.04820 295 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 296 3S 2.42967 -1.79852 -2.11870 -2.65384 -0.17109 297 3PX -1.43033 1.06080 1.04060 0.87689 0.24091 298 3PY 1.35420 -0.77022 -0.86242 -0.57658 0.66845 299 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 300 4XX -0.10692 0.12554 -0.08345 -0.11888 0.06041 301 4YY 0.38893 -0.32435 -0.06168 -0.09736 -0.00678 302 4ZZ -0.31873 0.23859 0.15638 0.17904 -0.02557 303 4XY -0.18924 -0.09697 0.22770 0.09541 -0.31637 304 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 306 30 H 1S -0.00976 -0.03255 0.09173 0.09380 -0.08272 307 2S 1.06270 -0.94140 -0.27949 -0.05745 -0.25728 308 31 H 1S -0.11475 0.08436 0.03083 0.07058 -0.02305 309 2S -0.21393 0.18077 0.35527 0.32040 -0.06374 310 32 H 1S -0.00953 0.00000 0.00381 -0.04864 0.02752 311 2S 0.04384 0.00000 -0.27509 -0.26383 0.14929 312 33 H 1S 0.08371 -0.08436 0.03083 0.05610 -0.04863 313 2S -0.04772 -0.18077 0.35527 0.21963 -0.24184 314 34 H 1S -0.02899 0.03255 0.09173 0.11921 -0.03782 315 2S 0.20930 0.94140 -0.27948 0.19096 0.18173 291 292 293 294 295 (A')--V (E')--V (E')--V (A')--V (E')--V Eigenvalues -- 2.95927 3.00200 3.00200 3.22020 3.26512 1 1 C 1S -0.00000 -0.00000 -0.00000 0.06654 0.00000 2 2S 0.00000 -0.00000 0.00000 -0.43365 -0.00000 3 2PX 0.00000 -0.00089 0.02218 0.00000 -0.14944 4 2PY 0.00000 0.02218 0.00089 -0.00000 0.00318 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00001 0.00000 -0.00000 -2.04435 -0.00000 7 3PX -0.00000 0.07680 -1.91503 0.00000 -2.02041 8 3PY 0.00000 -1.91503 -0.07680 -0.00000 0.04294 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.00000 0.01547 -0.38565 0.15348 -0.31186 11 4YY -0.00000 -0.01547 0.38565 0.15348 0.31186 12 4ZZ -0.00000 -0.00000 -0.00000 0.25624 0.00000 13 4XY -0.00000 0.44531 0.01786 0.00000 -0.00765 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.00000 0.00222 -0.05543 0.05274 0.01572 17 2S -0.00000 -0.00117 0.02924 0.05391 0.17727 18 2PX -0.00000 0.00390 -0.09723 -0.01564 -0.08177 19 2PY 0.14503 0.24101 0.00967 0.00000 -0.00054 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S 0.00001 -0.10110 2.52091 -2.28163 -1.81871 22 3PX 0.00001 -0.00236 0.05886 -1.90719 -3.32051 23 3PY 3.94924 2.76379 0.11084 -0.00000 -0.01721 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX 0.00000 -0.00833 0.20771 0.21077 0.37056 26 4YY 0.00000 0.00617 -0.15396 -0.29477 -0.58287 27 4ZZ -0.00000 0.00866 -0.21598 0.20549 0.05383 28 4XY 0.59472 0.78267 0.03139 -0.00000 -0.00380 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.04164 0.03386 0.02356 -0.04618 -0.06249 32 2S 0.06472 -0.09682 0.09275 -0.06976 -0.04480 33 2PX 0.09980 0.22390 -0.04162 0.09535 0.10156 34 2PY 0.09854 0.13094 -0.01305 -0.01663 -0.02667 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -1.42351 -0.72008 -1.73053 2.65517 3.54819 37 3PX 2.37834 1.61725 -0.33950 0.57106 0.96420 38 3PY 1.81944 1.35836 0.65307 -1.25472 -1.74334 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX 0.10589 0.27600 -0.04812 0.29461 0.39872 41 4YY -0.20674 -0.29317 -0.05103 -0.16643 -0.26683 42 4ZZ 0.19208 0.15557 0.09907 -0.19325 -0.25328 43 4XY -0.41776 -0.41794 -0.09291 0.26659 0.38101 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00291 -0.00097 -0.03205 0.04732 0.06333 47 2S -0.00040 -0.00598 -0.13644 0.04203 0.02413 48 2PX 0.10409 0.16594 0.03344 0.06137 0.09706 49 2PY -0.05604 -0.06695 -0.04232 0.05091 0.06237 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S -0.59434 -0.33366 1.98003 -2.54314 -3.48382 52 3PX 1.17182 1.06331 -0.44714 0.68864 0.92727 53 3PY -0.94262 -0.76995 -1.08429 1.26624 1.68739 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX -0.11976 -0.22102 0.14524 -0.31058 -0.39474 56 4YY 0.16685 0.22391 -0.01167 0.16302 0.22711 57 4ZZ -0.02722 -0.01097 -0.14123 0.20442 0.26619 58 4XY -0.25202 -0.26016 -0.17507 0.29341 0.39960 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00124 0.03092 -0.03771 -0.04876 62 2S 0.00000 -0.00379 0.09446 -0.07623 -0.11605 63 2PX 0.00000 -0.00280 0.06992 -0.06283 -0.07722 64 2PY -0.23070 -0.24829 -0.00996 0.00000 0.00081 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.00000 0.08580 -2.13947 2.50453 3.34606 67 3PX 0.00000 -0.04936 1.23085 -1.45763 -1.94260 68 3PY -1.09490 -1.06578 -0.04274 0.00000 0.00328 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.00000 -0.00480 0.11971 -0.27149 -0.35243 71 4YY -0.00000 0.01043 -0.26017 0.41046 0.54295 72 4ZZ 0.00000 -0.00518 0.12917 -0.15316 -0.19545 73 4XY 0.27728 0.32547 0.01305 -0.00000 -0.00075 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00291 0.00353 -0.03187 0.04732 0.06327 77 2S 0.00040 0.01688 -0.13552 0.04203 0.02315 78 2PX -0.10409 -0.16809 0.02004 0.06137 0.09770 79 2PY -0.05604 -0.07013 0.03682 -0.05091 -0.06240 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.59435 0.17402 2.00039 -2.54314 -3.47830 82 3PX -1.17182 -1.02408 -0.53085 0.68864 0.93042 83 3PY -0.94262 -0.85431 1.01915 -1.26624 -1.67890 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.11976 0.20868 0.16247 -0.31058 -0.39573 86 4YY -0.16685 -0.22226 -0.02956 0.16302 0.22830 87 4ZZ 0.02722 0.02224 -0.13990 0.20442 0.26606 88 4XY -0.25202 -0.27335 0.15368 -0.29341 -0.39827 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.04164 -0.03563 0.02077 -0.04618 -0.06207 92 2S -0.06472 0.08909 0.10020 -0.06976 -0.04705 93 2PX -0.09980 -0.21984 -0.05941 0.09535 0.10423 94 2PY 0.09854 0.12947 0.02349 0.01663 0.02534 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 1.42351 0.85635 -1.66731 2.65517 3.53053 97 3PX -2.37834 -1.58486 -0.46792 0.57106 0.96954 98 3PY 1.81943 1.40629 -0.54219 1.25472 1.72816 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX -0.10589 -0.27126 -0.07006 0.29461 0.40112 101 4YY 0.20674 0.29631 -0.02739 -0.16643 -0.26845 102 4ZZ -0.19208 -0.16300 0.08630 -0.19325 -0.25169 103 4XY -0.41776 -0.42404 0.05914 -0.26659 -0.37773 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S -0.00696 -0.02656 0.00938 0.14900 0.23309 107 2S 0.71219 0.39457 0.17932 0.20812 0.30465 108 9 H 1S -0.08800 -0.06229 0.08380 -0.15261 -0.20742 109 2S -0.12183 -0.09266 0.22560 -0.25631 -0.32865 110 10 H 1S 0.00000 0.00391 -0.09753 0.16862 0.21929 111 2S -0.00000 0.00977 -0.24370 0.25964 0.34865 112 11 H 1S 0.08800 0.05538 0.08852 -0.15261 -0.20797 113 2S 0.12183 0.07430 0.23230 -0.25631 -0.33028 114 12 H 1S 0.00696 0.02572 0.01148 0.14900 0.23334 115 2S -0.71219 -0.40767 0.14715 0.20812 0.30811 116 13 C 1S -0.00000 -0.04912 0.02579 0.05274 -0.00815 117 2S -0.00000 0.02591 -0.01361 0.05391 -0.09190 118 2PX -0.12560 0.14019 0.16232 0.00782 -0.00231 119 2PY -0.07252 -0.01854 0.14595 -0.01354 0.04761 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 0.00001 2.23372 -1.17290 -2.28163 0.94283 122 3PX -3.42014 1.08755 2.13453 0.95360 -0.26073 123 3PY -1.97461 0.68812 1.20075 -1.65168 1.83713 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX 0.44604 -0.32942 -0.49056 -0.16838 0.06395 126 4YY -0.44604 0.37704 0.46556 0.08439 0.04611 127 4ZZ -0.00000 -0.19137 0.10049 0.20549 -0.02791 128 4XY -0.29736 0.02184 0.43089 -0.25277 0.32356 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S -0.04164 0.03581 0.02047 -0.04618 0.04081 132 2S -0.06472 0.04223 -0.12725 -0.06976 -0.02146 133 2PX -0.03544 0.00921 -0.00277 -0.06208 0.03453 134 2PY -0.13570 0.07283 0.25255 0.07426 0.02049 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 1.42351 -1.87210 0.09203 2.65517 -2.19035 137 3PX -0.38651 0.82198 0.01670 -1.37215 1.24074 138 3PY -2.96942 0.92167 1.86466 -0.13281 0.26160 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX -0.18474 0.08726 0.13854 -0.25111 0.23681 141 4YY 0.28559 -0.18418 -0.11151 0.37930 -0.28983 142 4ZZ -0.19208 0.15624 0.09802 -0.19325 0.16289 143 4XY 0.36520 -0.25504 -0.42526 -0.09723 0.00129 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00291 -0.02936 0.01287 0.04732 -0.03413 147 2S 0.00040 -0.12581 0.05314 0.04203 -0.03189 148 2PX 0.10058 -0.10868 -0.10442 0.01340 -0.00872 149 2PY -0.06212 0.05434 0.09623 0.07861 -0.04845 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.59435 1.64538 -1.15090 -2.54314 1.91563 152 3PX 1.40224 -1.16044 -0.77558 0.75228 -0.69456 153 3PY -0.54352 -0.60958 0.88279 1.22950 -0.88377 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX -0.28422 0.27556 0.20987 -0.17544 0.15075 156 4YY 0.23712 -0.15367 -0.26457 0.02788 -0.05989 157 4ZZ 0.02722 -0.13228 0.05069 0.20442 -0.14054 158 4XY -0.01729 -0.11030 0.15467 0.38350 -0.25619 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.02740 -0.01439 -0.03771 0.02528 162 2S 0.00000 0.08370 -0.04395 -0.07623 0.06016 163 2PX 0.19980 -0.13102 -0.17426 0.03141 -0.04841 164 2PY 0.11535 -0.00411 -0.13817 -0.05441 0.01828 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.00000 -1.89574 0.99543 2.50453 -1.73462 167 3PX 0.94821 -0.97475 -0.53151 0.72881 -0.61790 168 3PY 0.54745 0.69657 -0.96813 -1.26234 0.80610 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.20796 -0.25995 -0.13943 0.23997 -0.18820 171 4YY -0.20796 0.13550 0.20478 -0.10100 0.08943 172 4ZZ 0.00000 0.11445 -0.06010 -0.15316 0.10132 173 4XY -0.13864 -0.09259 0.23257 0.34097 -0.21690 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.00291 -0.02727 0.01686 0.04732 -0.03150 177 2S -0.00040 -0.11517 0.07339 0.04203 0.00738 178 2PX -0.00351 0.02976 0.01167 -0.07478 0.06018 179 2PY 0.11817 -0.04519 -0.17851 0.02770 -0.03842 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -0.59434 1.88158 -0.70106 -2.54314 1.69358 182 3PX 0.23042 0.93926 -0.69834 -1.44092 0.88018 183 3PY 1.48614 -0.51875 -1.20834 -0.03674 -0.12108 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.09381 -0.04863 0.12328 0.26468 -0.18546 186 4YY 0.14091 0.16286 -0.19256 -0.41224 0.26830 187 4ZZ -0.02722 -0.11683 0.08011 0.20442 -0.13538 188 4XY 0.26932 -0.16841 -0.30986 0.09009 -0.09335 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.04164 0.00347 -0.04110 -0.04618 0.02376 192 2S 0.06472 0.12873 0.03748 -0.06976 0.06908 193 2PX -0.13524 0.14048 0.17910 -0.03327 0.06500 194 2PY 0.03716 -0.08978 -0.09646 0.09089 -0.08621 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -1.42351 -1.13864 1.48887 2.65517 -1.47931 197 3PX -2.76485 0.64971 1.91697 0.80109 -0.21039 198 3PY 1.14998 -0.89811 -0.31448 1.12191 -0.82427 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX -0.44190 0.12826 0.46212 0.14878 -0.03334 201 4YY 0.34105 -0.20554 -0.39768 -0.02059 -0.05079 202 4ZZ 0.19208 0.00801 -0.18426 -0.19325 0.09889 203 4XY 0.05256 0.07678 0.04298 -0.36382 0.27878 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.00696 -0.00292 -0.02801 0.14900 -0.11579 207 2S -0.71219 0.33127 0.27948 0.20812 -0.08920 208 20 H 1S 0.08800 0.04897 -0.09222 -0.15261 0.09659 209 2S 0.12183 0.16403 -0.18049 -0.25631 0.13794 210 21 H 1S 0.00000 -0.08642 0.04538 0.16862 -0.11368 211 2S -0.00000 -0.21593 0.11338 0.25964 -0.18074 212 22 H 1S -0.08800 0.10372 0.01204 -0.15261 0.11875 213 2S -0.12183 0.24171 -0.03255 -0.25631 0.20365 214 23 H 1S -0.00696 0.02140 0.01831 0.14900 -0.12602 215 2S 0.71219 -0.04199 -0.43137 0.20812 -0.22846 216 24 C 1S -0.00000 0.04689 0.02964 0.05274 -0.00757 217 2S -0.00000 -0.02474 -0.01564 0.05391 -0.08537 218 2PX 0.12560 -0.15273 0.15058 0.00782 -0.00034 219 2PY -0.07252 -0.00679 -0.14697 0.01354 -0.04528 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S 0.00001 -2.13263 -1.34801 -2.28163 0.87588 222 3PX 3.42014 -1.25499 2.04058 0.95360 -0.18471 223 3PY -1.97463 0.78207 -1.14179 1.65168 -1.73988 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX -0.44604 0.36765 -0.46261 -0.16838 0.04842 226 4YY 0.44604 -0.41312 0.43387 0.08439 0.05383 227 4ZZ -0.00000 0.18271 0.11549 0.20549 -0.02592 228 4XY -0.29736 0.05628 -0.42776 0.25277 -0.30791 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S -0.04164 -0.00017 -0.04125 -0.04618 0.02126 232 2S -0.06472 -0.13132 0.02705 -0.06976 0.06851 233 2PX 0.13524 -0.15437 0.16727 -0.03327 0.06518 234 2PY 0.03716 -0.09721 0.08897 -0.09089 0.08328 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S 1.42351 1.01575 1.57527 2.65517 -1.34018 237 3PX 2.76484 -0.80113 1.85878 0.80109 -0.16494 238 3PY 1.14998 -0.92041 0.24154 -1.12191 0.76001 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.44190 -0.16485 0.45036 0.14878 -0.02504 241 4YY -0.34105 0.23672 -0.37994 -0.02059 -0.05461 242 4ZZ -0.19208 0.00677 -0.18431 -0.19325 0.08880 243 4XY 0.05256 0.07997 -0.03670 0.36382 -0.25969 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00291 0.02583 0.01899 0.04732 -0.02913 247 2S 0.00040 0.10892 0.08238 0.04203 0.00874 248 2PX 0.00351 -0.03059 0.00925 -0.07478 0.05657 249 2PY 0.11817 -0.05934 0.17432 -0.02770 0.03674 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.59435 -1.81940 -0.84949 -2.54314 1.56267 252 3PX -0.23042 -0.88032 -0.77131 -1.44092 0.80654 253 3PY 1.48614 -0.61385 1.16291 0.03674 0.12593 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.09381 0.03860 0.12677 0.26468 -0.17162 256 4YY -0.14091 -0.14691 -0.20498 -0.41224 0.24819 257 4ZZ 0.02722 0.11004 0.08921 0.20442 -0.12552 258 4XY 0.26931 -0.19268 0.29537 -0.09009 0.09010 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 -0.02616 -0.01653 -0.03771 0.02348 262 2S 0.00000 -0.07991 -0.05051 -0.07623 0.05589 263 2PX -0.19980 0.14456 -0.16321 0.03141 -0.04770 264 2PY 0.11535 -0.01516 0.13740 0.05441 -0.01541 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.00000 1.80994 1.14404 2.50453 -1.61144 267 3PX -0.94821 1.01419 -0.45174 0.72881 -0.58499 268 3PY 0.54745 0.61681 1.02081 1.26234 -0.74253 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX -0.20796 0.27028 -0.11817 0.23997 -0.17702 271 4YY 0.20796 -0.15146 0.19327 -0.10100 0.08527 272 4ZZ 0.00000 -0.10927 -0.06907 -0.15316 0.09413 273 4XY -0.13864 -0.07367 -0.23924 -0.34097 0.20004 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.00291 0.02824 0.01518 0.04732 -0.03184 277 2S -0.00040 0.12115 0.06304 0.04203 -0.03151 278 2PX -0.10058 0.11670 -0.09539 0.01340 -0.00867 279 2PY -0.06212 0.06187 -0.09157 -0.07861 0.04391 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.59434 -1.54793 -1.27897 -2.54314 1.79024 282 3PX -1.40225 1.21883 -0.68016 0.75228 -0.66246 283 3PY -0.54352 -0.53693 -0.92877 -1.22950 0.82393 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX 0.28422 -0.29148 0.18713 -0.17544 0.14321 286 4YY -0.23712 0.17436 -0.25142 0.02788 -0.05841 287 4ZZ -0.02722 0.12779 0.06112 0.20442 -0.13081 288 4XY -0.01729 -0.09756 -0.16300 -0.38350 0.23717 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.04164 -0.03733 0.01754 -0.04618 0.03873 292 2S 0.06472 -0.03191 -0.13023 -0.06976 -0.02427 293 2PX 0.03544 -0.00896 -0.00350 -0.06208 0.03171 294 2PY -0.13570 0.09282 -0.24590 -0.07426 -0.02478 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -1.42351 1.85872 0.24165 2.65517 -2.06889 297 3PX 0.38652 -0.82068 -0.04918 -1.37215 1.17284 298 3PY -2.96942 1.06804 -1.78486 0.13280 -0.26658 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.18473 -0.09807 0.13111 -0.25111 0.22354 301 4YY -0.28559 0.19252 -0.09640 0.37930 -0.27131 302 4ZZ 0.19208 -0.16358 0.08519 -0.19325 0.15439 303 4XY 0.36520 -0.28827 0.40347 0.09723 0.00584 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.00696 -0.02280 0.01653 0.14900 -0.11756 307 2S -0.71219 0.07640 -0.42662 0.20812 -0.21891 308 31 H 1S 0.08800 -0.10435 0.00370 -0.15261 0.11138 309 2S 0.12183 -0.23832 -0.05181 -0.25631 0.19234 310 32 H 1S 0.00000 0.08251 0.05215 0.16862 -0.10561 311 2S -0.00000 0.20616 0.13031 0.25964 -0.16791 312 33 H 1S -0.08800 -0.04143 -0.09585 -0.15261 0.08867 313 2S -0.12183 -0.14905 -0.19305 -0.25631 0.12500 314 34 H 1S -0.00696 0.00515 -0.02769 0.14900 -0.10707 315 2S 0.71219 -0.35258 0.25205 0.20812 -0.07619 296 297 298 299 300 (E')--V (A')--V (E')--V (E')--V (A')--V Eigenvalues -- 3.26512 3.81533 3.94861 3.94861 3.96272 1 1 C 1S -0.00000 -0.28585 -0.00000 0.00000 0.08306 2 2S -0.00000 1.84656 0.00000 0.00000 -0.44661 3 2PX 0.00318 0.00000 0.08519 -0.00996 0.00000 4 2PY 0.14944 0.00000 -0.00996 -0.08519 -0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 0.29985 0.00000 -0.00000 -0.42640 7 3PX 0.04294 -0.00000 -0.28357 0.03314 -0.00000 8 3PY 2.02041 -0.00000 0.03314 0.28357 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00663 -1.06179 0.08443 -0.00987 0.29774 11 4YY -0.00663 -1.06179 -0.08443 0.00987 0.29774 12 4ZZ -0.00000 -1.13853 -0.00000 0.00000 0.32604 13 4XY -0.36010 0.00000 0.01139 0.09749 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.00033 -0.18416 -0.17345 0.02027 0.01087 17 2S -0.00377 1.23567 1.10981 -0.12971 -0.09030 18 2PX 0.00174 -0.07007 0.06675 -0.00780 0.05866 19 2PY -0.02549 0.00000 -0.00635 -0.05433 -0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S 0.03866 0.15803 0.50634 -0.05918 0.21453 22 3PX 0.07057 -0.19561 -0.19609 0.02291 0.00924 23 3PY -0.80987 -0.00000 -0.01030 -0.08816 -0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX -0.00788 -0.57359 -0.68163 0.07966 0.03917 26 4YY 0.01239 -0.79196 -0.60822 0.07108 0.09839 27 4ZZ -0.00114 -0.72545 -0.67762 0.07919 0.05125 28 4XY -0.17870 -0.00000 -0.00335 -0.02869 -0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S -0.00864 -0.07524 -0.13758 0.08832 -0.04708 32 2S 0.05389 0.45167 0.89827 -0.54568 0.36890 33 2PX -0.06510 -0.05695 0.01330 -0.00615 0.06496 34 2PY -0.03062 -0.05470 -0.05077 -0.01087 0.00181 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.34039 0.53109 0.37528 -0.26600 -0.06057 37 3PX -0.14612 0.25586 -0.05355 -0.13847 -0.05041 38 3PY -0.32024 -0.11370 0.08584 0.03188 0.13122 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX -0.06483 -0.20499 -0.49798 0.31617 -0.15302 41 4YY 0.04384 -0.26217 -0.48908 0.33942 -0.21919 42 4ZZ -0.03205 -0.28293 -0.53368 0.34049 -0.18530 43 4XY 0.06910 0.08126 0.04280 0.01349 -0.01615 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00020 -0.00293 -0.13039 0.07314 -0.13406 47 2S 0.02245 0.12598 0.90287 -0.47913 0.87838 48 2PX -0.01713 -0.02189 -0.02122 0.02384 0.03312 49 2PY -0.00199 -0.00112 -0.03783 -0.01383 -0.04061 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S -0.05581 -0.55547 0.17385 -0.08120 0.35459 52 3PX -0.09389 0.20358 -0.02266 -0.09575 -0.04799 53 3PY 0.16394 0.21744 0.09136 0.02763 -0.03203 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.03175 -0.04991 -0.45706 0.26010 -0.50722 56 4YY -0.03288 -0.04569 -0.50565 0.29149 -0.48088 57 4ZZ -0.00264 -0.01229 -0.50613 0.28528 -0.51973 58 4XY 0.02263 0.02934 -0.01838 -0.00009 -0.04015 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00104 -0.00196 -0.14445 0.01688 -0.17866 62 2S 0.00247 -0.01537 0.95638 -0.11177 1.16531 63 2PX 0.00164 -0.02054 -0.04417 0.00516 -0.01433 64 2PY 0.03833 0.00000 -0.00528 -0.04517 -0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.07112 0.37738 0.44151 -0.05160 0.36025 67 3PX 0.04129 -0.25229 -0.02678 0.00313 0.03905 68 3PY 0.15439 0.00000 0.00914 0.07818 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX 0.00749 -0.00925 -0.55153 0.06446 -0.68967 71 4YY -0.01154 0.04524 -0.49656 0.05803 -0.65206 72 4ZZ 0.00415 -0.00156 -0.55825 0.06524 -0.69368 73 4XY -0.03550 -0.00000 0.00379 0.03246 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00289 -0.00293 -0.14375 -0.04110 -0.13406 77 2S -0.02346 0.12598 0.98902 0.25802 0.87838 78 2PX 0.01299 -0.02189 -0.02615 -0.01831 0.03312 79 2PY 0.00066 0.00112 0.03362 -0.02218 0.04061 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.20378 -0.55547 0.18789 0.03892 0.35460 82 3PX 0.05441 0.20358 0.00003 0.09839 -0.04799 83 3PY 0.23549 -0.21743 -0.08253 0.04795 0.03203 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX -0.01495 -0.04991 -0.50472 -0.14770 -0.50722 86 4YY 0.02320 -0.04569 -0.55924 -0.16703 -0.48089 87 4ZZ -0.00868 -0.01229 -0.55827 -0.16089 -0.51973 88 4XY 0.03959 -0.02934 0.01786 -0.00433 0.04015 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.01129 -0.07524 -0.15423 -0.05422 -0.04708 92 2S -0.05194 0.45167 0.99989 0.32384 0.36890 93 2PX 0.06073 -0.05695 0.01436 0.00292 0.06496 94 2PY -0.03173 0.05470 0.04690 -0.02228 -0.00181 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.49084 0.53109 0.42650 0.17230 -0.06057 97 3PX 0.10502 0.25586 -0.02018 0.14709 -0.05041 98 3PY -0.39402 0.11370 -0.07617 0.05082 -0.13122 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.04783 -0.20498 -0.55746 -0.19282 -0.15302 101 4YY -0.03246 -0.26217 -0.55417 -0.21749 -0.21919 102 4ZZ 0.04278 -0.28293 -0.59781 -0.20825 -0.18530 103 4XY 0.08522 -0.08126 -0.03854 0.02299 0.01615 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S -0.01094 0.07558 0.07793 0.02334 0.01793 107 2S -0.08791 -0.02599 -0.28598 0.08638 -0.08835 108 9 H 1S 0.01736 -0.00432 0.06130 0.02068 0.06282 109 2S 0.04541 -0.06780 -0.11752 -0.02952 -0.08627 110 10 H 1S -0.00466 0.01912 0.06469 -0.00756 0.07873 111 2S -0.00741 0.05189 -0.11245 0.01314 -0.14784 112 11 H 1S -0.00854 -0.00432 0.05488 -0.03426 0.06282 113 2S -0.03141 -0.06781 -0.10755 0.05583 -0.08627 114 12 H 1S 0.00102 0.07558 0.07044 -0.04068 0.01793 115 2S 0.07489 -0.02599 -0.29819 -0.01810 -0.08835 116 13 C 1S -0.01344 -0.18416 0.10428 0.14007 0.01087 117 2S -0.15164 1.23567 -0.66723 -0.89627 -0.09030 118 2PX -0.04641 0.03503 0.05807 -0.00134 -0.02933 119 2PY 0.05397 -0.06068 -0.01281 -0.06302 0.05080 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 1.55572 0.15803 -0.30442 -0.40891 0.21453 122 3PX -1.78377 0.09781 0.00271 -0.12508 -0.00462 123 3PY 2.24990 -0.16940 0.13769 0.11064 0.00800 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX 0.36417 -0.73737 0.35932 0.51895 0.08359 126 4YY -0.18256 -0.62818 0.41615 0.52272 0.05398 127 4ZZ -0.04605 -0.72545 0.40739 0.54724 0.05125 128 4XY 0.36146 -0.10919 -0.01048 -0.03827 0.02961 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.04811 -0.07524 0.03016 0.16068 -0.04708 132 2S 0.06672 0.45167 -0.21950 -1.02785 0.36890 133 2PX 0.06558 -0.01889 0.03934 0.03247 -0.03091 134 2PY -0.10143 -0.07667 0.01734 0.00270 0.05716 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -2.81211 0.53109 -0.06404 -0.45551 -0.06057 137 3PX 1.57158 -0.22639 -0.13983 -0.00709 0.13884 138 3PY -0.12282 0.16473 0.07801 -0.06884 0.02195 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.30710 -0.30882 0.12387 0.60271 -0.19053 141 4YY -0.42968 -0.15833 0.07660 0.56515 -0.18168 142 4ZZ 0.19658 -0.28293 0.11856 0.62184 -0.18530 143 4XY 0.16775 0.01204 -0.03110 -0.00620 -0.04116 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S -0.05335 -0.00293 0.03628 0.14504 -0.13406 147 2S -0.00832 0.12598 -0.27106 -0.98553 0.87838 148 2PX -0.00096 0.00998 0.03259 -0.00029 -0.05173 149 2PY -0.10575 -0.01952 0.01560 0.03655 0.00838 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 2.91041 -0.55547 -0.06024 -0.18218 0.35460 152 3PX -0.74072 0.08651 -0.11430 -0.01653 -0.00375 153 3PY -1.38949 0.28503 0.03239 -0.06638 -0.05758 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.17440 -0.06874 0.12283 0.54363 -0.45736 156 4YY -0.03353 -0.02685 0.13659 0.53515 -0.53075 157 4ZZ -0.22608 -0.01229 0.13980 0.56392 -0.51973 158 4XY -0.44231 0.01678 0.01160 0.03509 -0.00690 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.04171 -0.00196 0.08684 0.11666 -0.17866 162 2S 0.09927 -0.01537 -0.57499 -0.77236 1.16531 163 2PX -0.01582 0.01027 0.01831 -0.04135 0.00716 164 2PY 0.06714 -0.01779 0.04123 0.01731 -0.01241 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -2.86222 0.37738 -0.26544 -0.35656 0.36025 167 3PX -0.76153 0.12615 -0.06273 0.02989 -0.01953 168 3PY 1.47909 -0.21849 -0.01763 0.04223 0.03382 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX -0.25916 0.03162 0.32646 0.39747 -0.66146 171 4YY 0.09619 0.00437 0.30366 0.44895 -0.68026 172 4ZZ 0.16719 -0.00156 0.33563 0.45084 -0.69368 173 4XY -0.39215 0.02724 -0.02963 -0.01244 0.01880 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.05495 -0.00293 0.12854 0.07636 -0.13406 177 2S -0.03212 0.12598 -0.86637 -0.54235 0.87838 178 2PX 0.08366 0.01192 -0.02164 -0.03759 0.01861 179 2PY -0.03886 -0.01840 0.02360 -0.01425 0.04899 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 3.04498 -0.55547 -0.15725 -0.10996 0.35459 182 3PX 1.71458 -0.29010 0.05464 0.04674 0.05174 183 3PY 0.11686 0.06759 -0.05112 0.10493 -0.02554 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.32171 -0.02474 0.49922 0.29754 -0.51758 186 4YY 0.46745 -0.07086 0.45982 0.26040 -0.47053 187 4ZZ -0.22921 -0.01229 0.50012 0.29568 -0.51973 188 4XY -0.07442 -0.01256 0.02118 0.00521 0.03324 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.05844 -0.07524 0.14528 0.07498 -0.04708 192 2S 0.01185 0.45167 -0.92171 -0.50509 0.36890 193 2PX -0.00556 0.07584 -0.00784 -0.03856 -0.03405 194 2PY -0.06718 -0.02197 -0.01836 -0.03201 0.05535 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -3.24302 0.53109 -0.41800 -0.19200 -0.06057 197 3PX -1.06519 -0.02946 0.05983 0.02037 -0.08843 198 3PY -1.49483 0.27843 -0.07301 0.14526 -0.10926 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX -0.19474 -0.18693 0.52728 0.22582 -0.21476 201 4YY 0.09101 -0.28023 0.53401 0.30120 -0.15744 202 4ZZ 0.23537 -0.28293 0.56171 0.29194 -0.18530 203 4XY 0.44328 -0.06923 0.01270 0.01224 -0.02501 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.20259 0.07558 -0.07045 -0.04067 0.01793 207 2S -0.30428 -0.02599 0.13341 0.26729 -0.08835 208 20 H 1S 0.18437 -0.00432 -0.05710 -0.03040 0.06282 209 2S 0.30173 -0.06781 0.10212 0.06522 -0.08627 210 21 H 1S -0.18758 0.01912 -0.03889 -0.05224 0.07873 211 2S -0.29823 0.05189 0.06761 0.09082 -0.14784 212 22 H 1S 0.17095 -0.00432 -0.01274 -0.06342 0.06282 213 2S 0.26191 -0.06780 0.03319 0.11654 -0.08627 214 23 H 1S -0.19639 0.07558 -0.01875 -0.07916 0.01793 215 2S -0.21988 -0.02599 0.21779 0.20447 -0.08835 216 24 C 1S 0.01378 -0.18416 0.06917 -0.16034 0.01087 217 2S 0.15541 1.23567 -0.44258 1.02598 -0.09030 218 2PX 0.04647 0.03503 0.05681 -0.01209 -0.02933 219 2PY 0.05594 0.06068 -0.00206 -0.06427 -0.05080 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -1.59437 0.15803 -0.20192 0.46809 0.21453 222 3PX 1.79324 0.09780 0.03148 0.12108 -0.00462 223 3PY 2.32593 0.16941 -0.10847 0.13941 -0.00800 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX -0.36656 -0.73737 0.22997 -0.58782 0.08359 226 4YY 0.18044 -0.62818 0.28440 -0.60459 0.05398 227 4ZZ 0.04719 -0.72545 0.27022 -0.62643 0.05125 228 4XY 0.37488 0.10919 0.00137 -0.03965 -0.02961 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S -0.05940 -0.07524 0.12407 -0.10646 -0.04708 232 2S -0.01478 0.45167 -0.78040 0.70402 0.36890 233 2PX 0.00279 0.07584 0.00126 0.03933 -0.03405 234 2PY -0.07078 0.02197 0.01048 -0.03538 -0.05535 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S 3.30295 0.53109 -0.36246 0.28321 -0.06057 237 3PX 1.07317 -0.02947 0.05352 -0.03362 -0.08843 238 3PY -1.52850 -0.27843 0.10454 0.12451 0.10926 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.19598 -0.18693 0.46099 -0.34132 -0.21476 241 4YY -0.08877 -0.28023 0.45017 -0.41622 -0.15745 242 4ZZ -0.23936 -0.28293 0.47926 -0.41359 -0.18530 243 4XY 0.45473 0.06923 -0.00954 0.01484 0.02501 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.05623 -0.00293 0.10746 -0.10394 -0.13406 247 2S 0.03178 0.12598 -0.71796 0.72751 0.87838 248 2PX -0.08614 0.01192 -0.01239 0.04157 0.01861 249 2PY -0.04046 0.01840 -0.02625 -0.00842 -0.04899 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -3.11419 -0.55547 -0.12765 0.14326 0.35460 252 3PX -1.75043 -0.29010 0.04239 -0.05807 0.05174 253 3PY 0.11161 -0.06759 0.07394 0.09031 0.02554 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.32930 -0.02474 0.41716 -0.40464 -0.51758 256 4YY -0.47843 -0.07085 0.38739 -0.35941 -0.47053 257 4ZZ 0.23475 -0.01229 0.41847 -0.40303 -0.51973 258 4XY -0.07832 0.01256 -0.01941 0.00996 -0.03324 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S -0.04274 -0.00196 0.05760 -0.13354 -0.17866 262 2S -0.10173 -0.01537 -0.38139 0.88414 1.16531 263 2PX 0.01786 0.01027 0.02735 0.03601 0.00716 264 2PY 0.06786 0.01779 -0.03613 0.02635 0.01241 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 2.93333 0.37738 -0.17607 0.40816 0.36025 267 3PX 0.78710 0.12615 -0.06793 -0.01462 -0.01953 268 3PY 1.51200 0.21849 0.02689 0.03703 -0.03382 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX 0.26692 0.03162 0.22601 -0.46204 -0.66146 271 4YY -0.09990 0.00437 0.19195 -0.50687 -0.68026 272 4ZZ -0.17134 -0.00156 0.22262 -0.51608 -0.69368 273 4XY -0.40102 -0.02724 0.02597 -0.01893 -0.01880 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.05475 -0.00293 0.00186 -0.14949 -0.13406 277 2S 0.00967 0.12598 -0.03650 1.02147 0.87838 278 2PX 0.00133 0.00998 0.03177 -0.00724 -0.05173 279 2PY -0.10771 0.01952 -0.00675 0.03916 -0.00838 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -2.98917 -0.55547 -0.01661 0.19116 0.35459 282 3PX 0.76957 0.08651 -0.10741 0.04244 -0.00375 283 3PY -1.42578 -0.28503 -0.04682 -0.05712 0.05758 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.18065 -0.06875 -0.00584 -0.55731 -0.45736 286 4YY 0.03604 -0.02685 0.00951 -0.55223 -0.53075 287 4ZZ 0.23184 -0.01229 0.00600 -0.58096 -0.51973 288 4XY -0.45280 -0.01678 -0.00319 0.03682 0.00690 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.04980 -0.07524 -0.00770 -0.16330 -0.04708 292 2S -0.06575 0.45167 0.02343 1.05077 0.36890 293 2PX -0.06699 -0.01889 0.03080 -0.04067 -0.03091 294 2PY -0.10047 0.07667 -0.01625 0.00663 -0.05716 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S 2.90263 0.53109 0.04272 0.45800 -0.06057 297 3PX -1.62288 -0.22639 -0.13443 0.03914 0.13884 298 3PY -0.11159 -0.16473 -0.09178 -0.04899 -0.02195 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX -0.31688 -0.30882 -0.01845 -0.61503 -0.19053 301 4YY 0.44161 -0.15834 -0.05578 -0.56758 -0.18168 302 4ZZ -0.20332 -0.28293 -0.02803 -0.63242 -0.18530 303 4XY 0.16765 -0.01204 0.02883 -0.01320 0.04116 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.20157 0.07558 0.00001 0.08135 0.01793 307 2S 0.22939 -0.02599 0.16477 -0.24919 -0.08835 308 31 H 1S -0.17584 -0.00432 0.00223 0.06465 0.06282 309 2S -0.27033 -0.06781 0.00543 -0.12105 -0.08627 310 32 H 1S 0.19224 0.01912 -0.02580 0.05980 0.07873 311 2S 0.30564 0.05189 0.04485 -0.10396 -0.14784 312 33 H 1S -0.18831 -0.00432 -0.04856 0.04275 0.06282 313 2S -0.30732 -0.06780 0.08433 -0.08702 -0.08627 314 34 H 1S 0.20733 0.07558 -0.05918 0.05582 0.01793 315 2S 0.30779 -0.02599 0.06818 -0.29085 -0.08835 301 302 303 304 305 (E')--V (E')--V (A')--V (E')--V (E')--V Eigenvalues -- 3.98209 3.98209 4.00270 4.00919 4.00919 1 1 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 2 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 3 2PX 0.00175 -0.07318 0.00000 0.03509 -0.01793 4 2PY -0.07318 -0.00175 0.00000 0.01793 0.03509 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 7 3PX -0.01809 0.75834 0.00000 0.97777 -0.49952 8 3PY 0.75834 0.01809 0.00000 0.49952 0.97777 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX 0.00088 -0.03692 -0.00000 0.13946 -0.07125 11 4YY -0.00088 0.03692 -0.00000 -0.13946 0.07125 12 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 13 4XY 0.04263 0.00102 -0.00000 -0.08227 -0.16103 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.00249 0.10431 0.00000 -0.15536 0.07937 17 2S 0.01602 -0.67170 -0.00000 1.06483 -0.54400 18 2PX 0.00010 -0.00404 -0.00000 0.02796 -0.01428 19 2PY -0.08624 -0.00206 0.06766 -0.02309 -0.04519 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S 0.00327 -0.13715 0.00000 -0.28095 0.14353 22 3PX -0.01885 0.79019 0.00000 0.59196 -0.30242 23 3PY -0.37773 -0.00901 0.43296 -0.32133 -0.62897 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX -0.01043 0.43735 0.00000 -0.71144 0.36346 26 4YY -0.00934 0.39136 0.00000 -0.55728 0.28470 27 4ZZ -0.00987 0.41365 0.00000 -0.62394 0.31876 28 4XY -0.09442 -0.00225 0.13492 -0.06132 -0.12003 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.12758 0.04771 -0.12414 -0.05281 0.15028 32 2S -0.79136 -0.23354 0.79533 0.27660 -0.95326 33 2PX -0.03906 0.09246 0.05406 -0.09764 -0.03531 34 2PY -0.02232 0.01264 0.01577 -0.04860 -0.00331 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -0.25053 -0.47682 0.17336 0.33016 0.03334 37 3PX -0.15584 -0.15512 0.10528 -0.18549 0.04036 38 3PY -0.20422 0.43310 0.37586 -0.01215 -0.38270 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX 0.45665 0.24541 -0.45505 -0.26053 0.58798 41 4YY 0.51207 0.10658 -0.51046 -0.10941 0.57293 42 4ZZ 0.49414 0.18119 -0.48370 -0.20049 0.58920 43 4XY 0.03891 -0.02281 -0.04250 0.05781 0.01687 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.13565 -0.11229 -0.15429 0.10805 0.11994 47 2S -0.83134 0.70119 0.91850 -0.63908 -0.69364 48 2PX 0.03500 0.09007 -0.03482 -0.07900 0.08249 49 2PY -0.03944 -0.05442 0.04683 0.00375 -0.06005 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S -0.33318 0.42057 0.46976 -0.23215 -0.59056 52 3PX -0.05239 -0.13477 -0.02909 -0.01725 0.08218 53 3PY 0.14063 -0.09153 -0.18939 0.10332 0.21203 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.48370 -0.46812 -0.54703 0.46590 0.38356 56 4YY 0.53586 -0.36000 -0.60771 0.35816 0.49757 57 4ZZ 0.52611 -0.43473 -0.59673 0.41893 0.45930 58 4XY -0.01964 -0.03895 0.03239 0.02368 -0.04372 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00513 -0.21511 -0.00000 0.12660 -0.06468 62 2S -0.03208 1.34492 0.00000 -0.76805 0.39238 63 2PX -0.00040 0.01691 0.00000 -0.03678 0.01879 64 2PY -0.10074 -0.00240 0.11428 -0.04785 -0.09366 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.01194 0.50049 0.00000 -0.39178 0.20015 67 3PX -0.00023 0.00966 0.00000 0.08825 -0.04509 68 3PY 0.10660 0.00254 -0.08153 0.05142 0.10064 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX 0.01979 -0.82965 -0.00000 0.49641 -0.25361 71 4YY 0.01894 -0.79410 -0.00000 0.48868 -0.24965 72 4ZZ 0.01994 -0.83574 -0.00000 0.48933 -0.24999 73 4XY 0.08170 0.00195 -0.09815 0.04195 0.08211 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.13014 -0.11863 0.15429 -0.03386 -0.15784 77 2S 0.79695 0.74003 -0.91850 0.18751 0.92434 78 2PX -0.03925 0.08830 0.03482 -0.11313 0.01567 79 2PY -0.04199 0.05248 0.04683 -0.05086 -0.03215 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.31274 0.43598 -0.46976 0.34247 0.53420 82 3PX 0.05876 -0.13212 0.02908 -0.07670 -0.03418 83 3PY 0.13610 0.09814 -0.18939 0.11125 0.20797 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX -0.46083 -0.49066 0.54703 -0.03775 -0.60229 86 4YY -0.51808 -0.38515 0.60771 -0.19327 -0.58181 87 4ZZ -0.50479 -0.45932 0.59673 -0.12664 -0.60862 88 4XY -0.02148 0.03797 0.03239 -0.04930 -0.00644 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.12971 0.04157 0.12414 -0.15272 -0.04528 92 2S 0.80160 -0.19554 -0.79534 0.93451 0.33453 93 2PX 0.03461 0.09422 -0.05406 -0.02861 0.09981 94 2PY -0.02169 -0.01369 0.01577 0.02580 -0.04132 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.27299 -0.46434 -0.17337 0.16648 -0.28706 97 3PX 0.16306 -0.14751 -0.10528 -0.14141 0.12665 98 3PY -0.18333 -0.44234 0.37585 -0.30298 -0.23413 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX -0.46784 0.22335 0.45505 -0.62911 -0.13348 101 4YY -0.51657 0.08204 0.51046 -0.52835 -0.24711 102 4ZZ -0.50222 0.15742 0.48370 -0.59491 -0.18285 103 4XY 0.03778 0.02464 -0.04250 -0.02021 0.05673 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.06357 -0.01757 -0.06327 0.05916 0.02731 107 2S -0.26494 -0.35064 0.53215 -0.46854 -0.09624 108 9 H 1S 0.05731 0.05027 -0.06487 0.00936 0.07116 109 2S -0.05144 -0.03471 0.03351 0.02054 -0.04777 110 10 H 1S -0.00221 0.09258 0.00000 -0.06177 0.03156 111 2S 0.00386 -0.16201 -0.00000 0.07280 -0.03719 112 11 H 1S -0.05965 0.04748 0.06487 -0.05217 -0.04928 113 2S 0.05304 -0.03222 -0.03351 0.05074 0.01135 114 12 H 1S -0.06266 -0.02058 0.06327 0.01254 -0.06394 115 2S 0.28136 -0.33760 -0.53215 -0.19661 0.43605 116 13 C 1S 0.09158 -0.05000 0.00000 0.00894 -0.17423 117 2S -0.58972 0.32197 -0.00000 -0.06130 1.19417 118 2PX -0.03402 -0.06654 -0.05860 -0.04308 -0.01793 119 2PY -0.02374 -0.03618 -0.03383 -0.02673 0.02585 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S -0.12041 0.06574 0.00000 0.01617 -0.31508 122 3PX -0.50368 -0.09782 -0.37495 -0.59383 -0.36328 123 3PY 0.51027 -0.49384 -0.21648 -0.38219 0.55681 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX 0.38763 -0.13093 0.10119 0.13525 -0.66301 126 4YY 0.33993 -0.26630 -0.10119 -0.06222 -0.75981 127 4ZZ 0.36317 -0.19828 0.00000 0.03592 -0.69973 128 4XY -0.04282 -0.03042 -0.06746 -0.07174 0.08298 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.10085 0.09155 0.12414 0.11557 -0.10962 132 2S -0.57014 -0.59643 -0.79534 -0.75696 0.64204 133 2PX -0.03127 0.01635 0.01337 0.01625 0.00010 134 2PY 0.05618 -0.07957 -0.05470 -0.07391 -0.08618 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -0.53862 -0.00425 -0.17337 0.16536 0.28770 137 3PX 0.35701 -0.29531 -0.27286 -0.28730 0.21874 138 3PY -0.03553 -0.24839 -0.27910 -0.21088 -0.08824 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.35567 0.34435 0.46473 0.43691 -0.40443 141 4YY 0.40100 0.35548 0.50078 0.47143 -0.40767 142 4ZZ 0.38744 0.35622 0.48370 0.45581 -0.42379 143 4XY -0.05023 0.07895 0.04895 0.04352 0.09497 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S -0.03767 0.17202 0.15429 0.15362 0.04959 147 2S 0.24241 -1.06020 -0.91850 -0.89425 -0.29978 148 2PX -0.10559 -0.00369 -0.05797 -0.06764 0.07713 149 2PY 0.05000 -0.01385 0.00674 0.01060 -0.07765 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.22120 -0.48883 -0.46976 -0.63387 0.02948 152 3PX 0.05723 0.13699 0.14947 0.17017 0.03128 153 3PY -0.13300 0.09661 0.11988 0.17672 -0.03891 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX -0.07179 0.64175 0.61683 0.60816 0.13015 156 4YY -0.19722 0.64391 0.53791 0.53281 0.26182 157 4ZZ -0.14539 0.66682 0.59673 0.59040 0.19463 158 4XY 0.03819 -0.00140 0.01415 0.01490 -0.05273 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.18886 0.10311 -0.00000 -0.00729 0.14198 162 2S 1.18078 -0.64467 0.00000 0.04421 -0.86134 163 2PX -0.04924 -0.07254 -0.09897 -0.09202 0.01595 164 2PY -0.01129 -0.05124 -0.05714 -0.05068 -0.03842 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.43941 -0.23991 0.00000 0.02255 -0.43937 167 3PX 0.04001 0.08337 0.07060 0.10028 -0.04447 168 3PY 0.03290 0.04279 0.04076 0.05203 0.08861 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX -0.73435 0.33111 -0.07361 -0.09730 0.54666 171 4YY -0.69122 0.44722 0.07361 0.04059 0.55808 172 4ZZ -0.73374 0.40060 -0.00000 -0.02817 0.54877 173 4XY 0.03519 0.02734 0.04907 0.04626 -0.00197 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.16507 -0.06133 -0.15429 -0.15789 0.03360 177 2S 1.02291 0.36936 0.91850 0.92025 -0.20664 178 2PX -0.00651 -0.01547 -0.02315 -0.02745 0.02601 179 2PY 0.06610 -0.09593 -0.05357 -0.05272 -0.11161 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.53082 0.07825 0.46976 0.62752 0.09423 182 3PX 0.17481 0.00946 0.17856 0.23503 0.04234 183 3PY -0.00360 0.13566 0.06950 0.06347 -0.04026 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.61452 -0.23189 -0.56825 -0.57926 0.13074 186 4YY -0.61244 -0.23701 -0.58649 -0.59585 0.14235 187 4ZZ -0.63954 -0.23826 -0.59673 -0.60723 0.13316 188 4XY 0.04573 -0.06786 -0.04654 -0.03545 -0.09634 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S -0.02248 -0.13434 -0.12414 -0.10374 -0.12087 192 2S 0.19343 0.80211 0.79533 0.68725 0.71617 193 2PX -0.06894 -0.00507 -0.04068 -0.06323 0.06847 194 2PY 0.07521 -0.01724 0.03893 0.05518 -0.03772 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.28768 0.45538 0.17336 -0.19395 0.26926 197 3PX -0.38504 -0.07189 -0.37814 -0.32119 -0.06619 198 3PY -0.28745 0.20389 -0.09675 -0.11870 -0.24701 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX -0.15616 -0.51883 -0.52848 -0.45847 -0.38459 201 4YY -0.02338 -0.49610 -0.43702 -0.36193 -0.51624 202 4ZZ -0.09015 -0.51853 -0.48370 -0.41002 -0.46823 203 4XY -0.05436 0.02186 -0.00645 -0.00951 0.04838 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.01350 0.06455 0.06327 0.04911 0.04283 207 2S -0.43305 -0.07486 -0.53215 -0.27932 -0.38829 208 20 H 1S 0.07094 0.02792 0.06487 0.06877 -0.02054 209 2S -0.05442 -0.02982 -0.03351 -0.03520 0.03827 210 21 H 1S 0.08128 -0.04438 0.00000 0.00356 -0.06927 211 2S -0.14224 0.07766 -0.00000 -0.00419 0.08165 212 22 H 1S 0.01487 -0.07477 -0.06487 -0.06630 -0.02747 213 2S -0.00434 0.06190 0.03351 0.03110 0.04167 214 23 H 1S -0.04700 -0.04626 -0.06327 -0.05323 0.03757 215 2S -0.17119 0.40476 0.53215 0.31761 -0.35765 216 24 C 1S -0.08909 -0.05431 0.00000 0.14642 0.09486 217 2S 0.57370 0.34972 -0.00000 -1.00353 -0.65017 218 2PX 0.03716 -0.06484 0.05860 -0.01072 0.04542 219 2PY -0.02544 0.03501 -0.03383 0.03662 -0.00651 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S 0.11714 0.07141 0.00000 0.26478 0.17155 222 3PX 0.50777 -0.07369 0.37495 -0.05365 0.69407 223 3PY 0.48614 0.51761 -0.21648 0.67516 0.01663 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX -0.38095 -0.14927 -0.10119 0.61649 0.27896 226 4YY -0.32685 -0.28220 0.10119 0.57920 0.49570 227 4ZZ -0.35330 -0.21537 0.00000 0.58802 0.38097 228 4XY -0.04422 0.02835 -0.06746 0.10928 -0.00950 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.02886 -0.13312 0.12414 0.03715 0.15490 232 2S -0.23146 0.79197 -0.79534 -0.17754 -0.97657 233 2PX 0.06911 -0.00177 0.04068 -0.09254 0.01111 234 2PY 0.07430 0.02081 0.03893 -0.06290 0.02260 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S 0.26563 0.46858 -0.17337 -0.33184 -0.00064 237 3PX 0.38803 -0.05344 0.37814 -0.13460 0.29904 238 3PY -0.27740 -0.21737 -0.09675 -0.13058 -0.24094 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.18072 -0.51079 0.52848 0.04294 0.59688 241 4YY 0.04701 -0.49442 0.43703 0.20619 0.59581 242 4ZZ 0.11478 -0.51364 0.48370 0.13910 0.60664 243 4XY -0.05326 -0.02442 -0.00645 0.04478 0.02065 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.16781 -0.05339 0.15429 -0.11976 0.10824 247 2S -1.03936 0.32017 -0.91850 0.70674 -0.62456 248 2PX 0.00724 -0.01514 0.02315 -0.03716 0.00700 249 2PY 0.06145 0.09898 -0.05357 -0.05953 -0.10813 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.53394 0.05285 -0.46976 0.29140 -0.56369 252 3PX -0.17506 0.00111 -0.17855 0.10343 -0.21525 253 3PY 0.00287 -0.13568 0.06950 -0.06982 0.02784 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.62488 -0.20232 0.56825 -0.44540 0.39274 256 4YY 0.62304 -0.20754 0.58649 -0.46454 0.39938 257 4ZZ 0.65018 -0.20750 0.59673 -0.46376 0.41399 258 4XY 0.04245 0.06996 -0.04654 -0.05729 -0.08518 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.18373 0.11200 -0.00000 -0.11931 -0.07730 262 2S -1.14869 -0.70024 0.00000 0.72384 0.46896 263 2PX 0.05264 -0.07011 0.09897 -0.06685 0.06521 264 2PY -0.01372 0.05064 -0.05714 -0.00143 -0.06358 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.42747 -0.26058 0.00000 0.36923 0.23922 267 3PX -0.04394 0.08137 -0.07060 0.09480 -0.05520 268 3PY 0.03490 -0.04117 0.04076 0.04130 0.09409 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX 0.71773 0.36575 0.07361 -0.49997 -0.24153 271 4YY 0.66911 0.47967 -0.07361 -0.42841 -0.35996 272 4ZZ 0.71380 0.43513 -0.00000 -0.46116 -0.29878 273 4XY 0.03645 -0.02563 0.04907 -0.02871 0.03633 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.02943 0.17362 -0.15429 0.04984 -0.15354 277 2S -0.19158 -1.07055 0.91850 -0.28117 0.90028 278 2PX 0.10564 0.00135 0.05797 -0.10213 0.00960 279 2PY 0.04928 0.01622 0.00674 -0.06913 -0.03692 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.19764 -0.49883 0.46976 -0.39536 0.49633 282 3PX -0.06370 0.13410 -0.14947 0.07438 -0.15622 283 3PY -0.12824 -0.10284 0.11988 -0.13509 0.12039 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX 0.04111 0.64444 -0.61683 0.25095 -0.56905 286 4YY 0.16629 0.65258 -0.53791 0.10010 -0.58517 287 4ZZ 0.11343 0.67299 -0.59673 0.18829 -0.59246 288 4XY 0.03808 0.00322 0.01415 -0.05146 -0.01883 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.10510 0.08664 -0.12414 0.15655 -0.02940 292 2S 0.59793 -0.56857 0.79533 -0.96385 0.23709 293 2PX 0.03045 0.01782 -0.01337 0.00944 -0.01322 294 2PY 0.05232 0.08216 -0.05470 -0.02651 -0.11040 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S 0.53821 0.02144 0.17336 -0.13621 -0.30260 297 3PX -0.34252 -0.31200 0.27286 -0.34561 0.10460 298 3PY -0.04734 0.24641 -0.27910 0.05209 -0.22258 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX -0.37169 0.32700 -0.46473 0.58375 -0.11700 301 4YY -0.41750 0.33595 -0.50078 0.60660 -0.14307 302 4ZZ -0.40399 0.33734 -0.48370 0.61051 -0.12097 303 4XY -0.04641 -0.08126 0.04895 0.05145 0.09093 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.04915 -0.04397 0.06327 -0.06164 0.02111 307 2S 0.15170 0.41246 -0.53215 0.47593 -0.04776 308 31 H 1S -0.01129 -0.07539 0.06487 -0.01659 0.06983 309 2S 0.00138 0.06204 -0.03351 -0.01554 -0.04962 310 32 H 1S -0.07907 -0.04820 0.00000 0.05821 0.03771 311 2S 0.13837 0.08435 -0.00000 -0.06861 -0.04445 312 33 H 1S -0.07219 0.02450 -0.06487 0.05694 -0.04368 313 2S 0.05578 -0.02719 0.03351 -0.05164 0.00610 314 34 H 1S -0.01656 0.06384 -0.06327 -0.00592 -0.06489 315 2S 0.43613 -0.05412 0.53215 0.15093 0.45389 306 307 308 309 310 (A')--V (E')--V (E')--V (E')--V (E')--V Eigenvalues -- 4.06582 4.20743 4.20743 4.21449 4.21449 1 1 C 1S -0.23033 -0.00000 0.00000 -0.00000 0.00000 2 2S 1.39590 0.00000 -0.00000 0.00000 -0.00000 3 2PX 0.00000 0.07334 -0.01224 0.00002 -0.00412 4 2PY 0.00000 0.01224 0.07334 -0.00412 -0.00002 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 1.00131 0.00000 -0.00000 0.00000 -0.00000 7 3PX -0.00000 -0.38323 0.06398 -0.00364 0.92101 8 3PY -0.00000 -0.06398 -0.38323 0.92101 0.00364 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.94139 0.09530 -0.01590 -0.00040 0.10127 11 4YY -0.94139 -0.09530 0.01590 0.00040 -0.10127 12 4ZZ -0.91152 -0.00000 0.00000 -0.00000 0.00000 13 4XY 0.00000 -0.01836 -0.11004 -0.11694 -0.00046 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.01672 -0.20530 0.03426 0.00035 -0.09076 17 2S -0.09920 1.29074 -0.21542 -0.00246 0.62907 18 2PX -0.11026 -0.06207 0.01036 0.00008 -0.02068 19 2PY 0.00000 0.00909 0.05447 -0.12851 -0.00051 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S -0.11565 0.83000 -0.13853 0.00034 -0.08236 22 3PX 0.10219 -0.49508 0.08264 -0.00257 0.64972 23 3PY -0.00000 -0.00950 -0.05698 -0.56385 -0.00222 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX 0.16562 -0.93236 0.15561 0.00181 -0.46212 26 4YY -0.11261 -0.94400 0.15755 0.00157 -0.40147 27 4ZZ 0.06309 -0.78800 0.13152 0.00140 -0.35789 28 4XY -0.00000 0.00426 0.02551 -0.18878 -0.00074 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.13817 0.09729 -0.08648 0.19606 0.02344 32 2S -0.86737 -0.66189 0.50943 -1.15821 -0.15185 33 2PX 0.02017 -0.09381 -0.02616 0.10508 -0.03025 34 2PY -0.01968 -0.07803 0.01387 -0.04105 -0.03623 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -0.47364 -0.04339 0.48415 -0.96712 -0.24886 37 3PX -0.02311 0.30179 -0.06819 -0.41140 -0.10287 38 3PY -0.04081 -0.31358 0.07117 -0.16420 0.16631 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX 0.61233 0.38356 -0.40354 0.95859 0.07822 41 4YY 0.52790 0.51194 -0.35305 0.79076 0.14451 42 4ZZ 0.53378 0.37731 -0.32221 0.72916 0.08733 43 4XY 0.04698 0.07921 -0.03133 0.09330 0.04005 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.01648 0.13508 0.04208 -0.17541 0.04123 47 2S -0.11465 -0.73741 -0.25754 1.01724 -0.24768 48 2PX 0.10790 0.07095 -0.05677 0.12296 0.01181 49 2PY -0.05280 -0.11095 -0.00179 0.04987 -0.04166 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S -0.15120 -1.30986 -0.16577 1.22342 -0.16340 52 3PX -0.05797 0.13851 -0.00899 -0.24902 -0.07481 53 3PY 0.09540 0.43499 -0.01356 -0.04916 0.06773 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX -0.01290 0.51672 0.23790 -0.87217 0.18233 56 4YY 0.14089 0.60248 0.15386 -0.69061 0.18995 57 4ZZ 0.06142 0.49986 0.15556 -0.64847 0.15457 58 4XY -0.02840 -0.08948 -0.00188 0.05771 -0.02483 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S -0.14169 -0.19820 0.03308 0.00025 -0.06394 62 2S 0.82404 1.09338 -0.18248 -0.00142 0.36441 63 2PX 0.06205 0.12561 -0.02096 -0.00015 0.03953 64 2PY -0.00000 -0.00883 -0.05286 0.15227 0.00060 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.73576 1.73212 -0.28909 -0.00186 0.47812 67 3PX -0.16093 -0.54995 0.09179 0.00033 -0.08543 68 3PY 0.00000 0.01294 0.07752 -0.06840 -0.00027 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.56379 -0.78386 0.13083 0.00099 -0.25490 71 4YY -0.57763 -0.93486 0.15603 0.00122 -0.31234 72 4ZZ -0.54116 -0.72846 0.12158 0.00092 -0.23589 73 4XY 0.00000 0.00650 0.03896 -0.11634 -0.00046 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.01648 0.11409 -0.08366 0.17508 0.04261 77 2S -0.11464 -0.61377 0.48306 -1.01528 -0.25570 78 2PX 0.10790 0.08554 0.03065 -0.12305 0.01084 79 2PY 0.05280 0.10436 -0.03772 0.04954 0.04205 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S -0.15120 -1.18498 0.58217 -1.22214 -0.17304 82 3PX -0.05797 0.13391 -0.03648 0.24960 -0.07284 83 3PY -0.09540 -0.41581 0.12844 -0.04864 -0.06812 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX -0.01290 0.41142 -0.39281 0.87072 0.18920 86 4YY 0.14089 0.51983 -0.34117 0.68911 0.19540 87 4ZZ 0.06141 0.42222 -0.30946 0.64725 0.15968 88 4XY 0.02840 0.08401 -0.03084 0.05751 0.02529 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.13817 0.12010 0.05019 -0.19623 0.02189 92 2S -0.86737 -0.79149 -0.26686 1.15935 -0.14271 93 2PX 0.02017 -0.08022 0.05520 -0.10484 -0.03108 94 2PY 0.01968 0.07831 -0.01222 -0.04133 0.03591 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.47364 -0.19831 -0.44382 0.96905 -0.24121 97 3PX -0.02311 0.30756 -0.03351 0.41221 -0.09963 98 3PY 0.04081 0.31970 -0.03453 -0.16287 -0.16760 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.61233 0.49385 0.25709 -0.95916 0.07065 101 4YY 0.52790 0.59888 0.16766 -0.79185 0.13827 102 4ZZ 0.53378 0.46152 0.18220 -0.72981 0.08157 103 4XY -0.04698 -0.08510 -0.00391 0.09361 -0.03931 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S -0.03904 -0.04596 -0.02420 0.08331 -0.01855 107 2S 0.13192 0.45030 0.12821 -0.30288 -0.17195 108 9 H 1S -0.01384 -0.04039 0.02912 -0.04691 -0.01876 109 2S 0.00200 -0.01355 -0.05229 0.14698 0.03481 110 10 H 1S 0.05964 0.07547 -0.01260 -0.00006 0.01650 111 2S -0.07904 -0.05532 0.00923 0.00017 -0.04220 112 11 H 1S -0.01384 -0.04766 -0.01442 0.04705 -0.01839 113 2S 0.00200 0.00416 0.05385 -0.14725 0.03365 114 12 H 1S -0.03904 -0.03560 0.03782 -0.08316 -0.01921 115 2S 0.13193 0.38424 -0.26751 0.30424 -0.16955 116 13 C 1S 0.01672 0.07298 -0.19493 -0.07878 0.04507 117 2S -0.09920 -0.45881 1.22552 0.54602 -0.31240 118 2PX 0.05513 0.03376 0.04623 -0.04629 -0.10174 119 2PY -0.09549 0.04497 -0.04136 -0.04746 -0.04688 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S -0.11565 -0.29503 0.78807 -0.07149 0.04089 122 3PX -0.05109 -0.13484 0.21749 -0.52447 -0.26253 123 3PY 0.08850 0.12534 -0.41723 0.34841 -0.52412 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.04306 0.31635 -0.90034 -0.29132 0.32981 126 4YY 0.09606 0.35062 -0.88122 -0.45826 0.09907 127 4ZZ 0.06309 0.28011 -0.74819 -0.31064 0.17774 128 4XY -0.13912 0.01418 -0.00099 -0.02055 -0.09699 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.13817 -0.10352 0.07892 0.11707 0.15900 132 2S -0.86737 0.62685 -0.55203 -0.70326 -0.93267 133 2PX -0.02713 0.02859 -0.01548 -0.05758 -0.06862 134 2PY 0.00763 0.00762 -0.12103 -0.00379 0.08316 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -0.47364 0.48351 0.05017 -0.69342 -0.71861 137 3PX -0.02379 0.17491 -0.39629 0.20137 -0.04114 138 3PY -0.04042 -0.04307 0.09811 -0.22135 -0.37844 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.51377 -0.41642 0.34709 0.46131 0.61525 141 4YY 0.62646 -0.49779 0.38687 0.59512 0.79672 142 4ZZ 0.53378 -0.38855 0.30859 0.43555 0.59125 143 4XY -0.01872 -0.01049 0.10371 0.02787 -0.05864 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.01648 0.01541 0.14063 -0.05064 -0.17293 147 2S -0.11464 -0.11145 -0.77307 0.28620 1.00711 148 2PX -0.09968 0.05155 -0.12398 -0.04554 0.00479 149 2PY 0.06705 -0.05027 -0.00373 0.05559 0.11956 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.15120 0.08832 -1.31731 0.46121 1.14492 152 3PX 0.11161 -0.06604 0.30037 0.12397 0.02390 153 3PY -0.00251 -0.07896 0.32840 -0.14538 -0.19375 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.12374 0.04880 0.66989 -0.20452 -0.77987 156 4YY 0.00425 0.12122 0.50359 -0.24232 -0.76328 157 4ZZ 0.06141 0.05689 0.52038 -0.18534 -0.64038 158 4XY 0.06270 -0.04181 -0.01005 0.05151 0.10832 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.14169 0.07045 -0.18819 -0.05550 0.03176 162 2S 0.82404 -0.38865 1.03813 0.31630 -0.18098 163 2PX -0.03102 -0.02114 -0.07590 0.04833 0.12428 164 2PY 0.05373 -0.06376 0.09389 0.06752 0.04908 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.73576 -0.61570 1.64460 0.41500 -0.23745 167 3PX 0.08047 -0.03400 0.28494 0.00766 -0.07264 168 3PY -0.13937 0.20609 -0.43843 -0.08120 0.00706 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX -0.57417 0.29114 -0.86217 -0.21531 0.22372 171 4YY -0.56725 0.31979 -0.76971 -0.27704 0.05798 172 4ZZ -0.54116 0.25894 -0.69166 -0.20475 0.11715 173 4XY -0.00692 0.04533 -0.06476 -0.05382 -0.03623 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.01648 -0.10398 0.09594 0.12341 0.13130 177 2S -0.11465 0.59175 -0.50985 -0.72312 -0.75712 178 2PX -0.00823 -0.05623 0.03753 0.07846 0.07556 179 2PY 0.11985 -0.01666 0.12539 -0.01388 -0.08616 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -0.15120 0.79849 -1.05149 -0.75322 -0.97782 182 3PX -0.05364 0.20892 -0.39434 -0.10195 -0.13407 183 3PY -0.09791 0.04964 -0.08397 0.01010 0.21480 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.08115 -0.40719 0.35835 0.49308 0.51520 186 4YY 0.04685 -0.49169 0.41503 0.61071 0.65206 187 4ZZ 0.06142 -0.38465 0.35511 0.45810 0.48431 188 4XY 0.09109 -0.00823 0.09642 -0.01691 -0.06174 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.13817 0.02625 0.12749 -0.07773 -0.18151 192 2S -0.86737 -0.11024 -0.82793 0.44760 1.07897 193 2PX 0.00696 -0.05816 0.09861 0.04876 -0.00854 194 2PY 0.02731 0.04674 -0.02177 -0.06276 -0.09254 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.47364 -0.39759 -0.27965 0.26804 0.96198 197 3PX 0.04690 -0.03649 0.11828 -0.25414 -0.25499 198 3PY 0.00039 -0.12711 0.40945 -0.01208 0.32357 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.58425 0.06740 0.66159 -0.31454 -0.86074 201 4YY 0.55599 0.14007 0.49222 -0.36725 -0.76561 202 4ZZ 0.53378 0.09039 0.48786 -0.28895 -0.67513 203 4XY -0.06571 -0.04772 0.00084 0.07665 0.10651 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.03904 -0.01495 -0.04974 0.02494 0.08162 207 2S 0.13193 0.03955 0.46652 -0.29896 -0.17871 208 20 H 1S -0.01384 0.03632 -0.03406 -0.03945 -0.03155 209 2S 0.00200 -0.04872 -0.02332 0.10277 0.11070 210 21 H 1S 0.05964 -0.02683 0.07165 0.01432 -0.00819 211 2S -0.07904 0.01966 -0.05252 -0.03663 0.02096 212 22 H 1S -0.01384 -0.00502 -0.04954 0.00721 0.05000 213 2S 0.00200 0.05206 0.01440 -0.04334 -0.14470 214 23 H 1S -0.03904 0.04394 -0.02770 -0.05772 -0.06287 215 2S 0.13192 -0.33618 0.32587 0.00253 0.34828 216 24 C 1S 0.01672 0.13232 0.16066 0.07843 0.04569 217 2S -0.09920 -0.83193 -1.01010 -0.54356 -0.31666 218 2PX 0.05513 0.01691 -0.05469 0.04709 -0.10137 219 2PY 0.09549 -0.05596 -0.02451 -0.04782 0.04650 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.11565 -0.53497 -0.64954 0.07116 0.04147 222 3PX -0.05110 -0.19818 -0.16191 0.52652 -0.25838 223 3PY -0.08850 -0.25406 -0.35389 0.34425 0.52687 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX -0.04306 0.59160 0.74881 0.28873 0.33207 226 4YY 0.09606 0.61779 0.71959 0.45748 0.10265 227 4ZZ 0.06309 0.50790 0.61667 0.30925 0.18016 228 4XY 0.13912 -0.01373 0.00367 -0.02132 0.09682 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.13817 -0.01658 -0.12911 0.07916 -0.18089 232 2S -0.86737 0.16464 0.81888 -0.45609 1.07538 233 2PX 0.00696 -0.08703 -0.07437 -0.04870 -0.00892 234 2PY -0.02731 -0.05127 -0.00541 -0.06349 0.09204 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -0.47364 -0.28521 0.39365 -0.27563 0.95983 237 3PX 0.04690 -0.07293 -0.10002 0.25614 -0.25298 238 3PY -0.00039 0.25319 0.34596 -0.00952 -0.32367 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.58424 -0.15113 -0.64765 0.32131 -0.85821 241 4YY 0.55599 -0.02739 -0.51105 0.37327 -0.76267 242 4ZZ 0.53378 -0.07297 -0.49079 0.29426 -0.67282 243 4XY 0.06571 0.04540 -0.01471 0.07749 -0.10590 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.01648 -0.12950 -0.05697 -0.12444 0.13032 247 2S -0.11464 0.72522 0.29001 0.72908 -0.75141 248 2PX -0.00823 -0.06536 -0.01723 -0.07906 0.07494 249 2PY -0.11985 0.05648 0.11319 -0.01456 0.08604 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.15120 1.09666 0.73514 0.76093 -0.97188 252 3PX -0.05363 0.32566 0.30511 0.10301 -0.13327 253 3PY 0.09791 -0.07422 -0.06330 0.01179 -0.21471 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.08115 -0.50148 -0.20667 -0.49714 0.51131 256 4YY 0.04685 -0.59980 -0.23283 -0.61585 0.64724 257 4ZZ 0.06141 -0.47911 -0.21092 -0.46191 0.48070 258 4XY -0.09109 0.03910 0.08852 -0.01739 0.06161 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S -0.14169 0.12775 0.15511 0.05525 0.03219 262 2S 0.82404 -0.70472 -0.85565 -0.31488 -0.18343 263 2PX -0.03102 0.00466 0.07866 -0.04931 0.12389 264 2PY -0.05373 0.09080 0.06809 0.06791 -0.04855 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.73576 -1.11642 -1.35551 -0.41314 -0.24067 267 3PX 0.08047 -0.12470 -0.25846 -0.00709 -0.07269 268 3PY 0.13937 -0.33731 -0.34773 -0.08115 -0.00769 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX -0.57417 0.55536 0.72089 0.21355 0.22539 271 4YY -0.56725 0.55243 0.62414 0.27659 0.06014 272 4ZZ -0.54116 0.46952 0.57008 0.20383 0.11874 273 4XY 0.00692 -0.06390 -0.04653 -0.05410 0.03581 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.01648 -0.03110 -0.13802 0.05200 -0.17252 277 2S -0.11465 0.14567 0.76739 -0.29413 1.00480 278 2PX -0.09968 0.08902 0.10052 0.04550 0.00515 279 2PY -0.06705 0.04633 -0.01986 0.05653 -0.11911 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.15120 0.51137 1.21726 -0.47020 1.14121 282 3PX 0.11161 -0.16001 -0.26264 -0.12416 0.02293 283 3PY 0.00250 0.18134 0.28496 -0.14689 0.19259 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX 0.12374 -0.17141 -0.64945 0.21066 -0.77821 286 4YY 0.00425 -0.04891 -0.51568 0.24833 -0.76133 287 4ZZ 0.06142 -0.11521 -0.51067 0.19038 -0.63888 288 4XY -0.06270 0.03628 -0.02309 0.05237 -0.10791 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.13817 -0.12353 -0.04102 -0.11832 0.15807 292 2S -0.86737 0.77213 0.31850 0.71061 -0.92712 293 2PX -0.02713 0.03207 0.00536 0.05812 -0.06816 294 2PY -0.00763 -0.04651 -0.11200 -0.00314 -0.08319 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -0.47364 0.44098 -0.20450 0.69907 -0.71312 297 3PX -0.02379 0.29414 0.31800 -0.20103 -0.04274 298 3PY 0.04042 0.07261 0.07882 -0.22433 0.37668 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.51377 -0.50655 -0.19302 -0.46616 0.61160 301 4YY 0.62646 -0.59642 -0.20421 -0.60140 0.79201 302 4ZZ 0.53378 -0.46769 -0.16566 -0.44021 0.58781 303 4XY 0.01872 0.04361 0.09468 0.02741 0.05886 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.03904 0.05055 0.01193 0.05822 -0.06241 307 2S 0.13193 -0.42379 -0.19901 -0.00529 0.34826 308 31 H 1S -0.01384 0.01134 0.04849 -0.00760 0.04995 309 2S 0.00200 0.04456 -0.03053 0.04448 -0.14435 310 32 H 1S 0.05964 -0.04864 -0.05906 -0.01426 -0.00831 311 2S -0.07904 0.03565 0.04329 0.03646 0.02124 312 33 H 1S -0.01384 0.04541 0.02042 0.03970 -0.03124 313 2S 0.00200 -0.03850 0.03788 -0.10364 0.10988 314 34 H 1S -0.03904 0.00202 0.05190 -0.02559 0.08142 315 2S 0.13192 -0.11412 -0.45408 0.30035 -0.17633 311 312 313 314 315 (A')--V (A')--V (E')--V (E')--V (A')--V Eigenvalues -- 4.21990 4.32061 4.52060 4.52060 4.61356 1 1 C 1S -0.00000 -0.21988 -0.00000 -0.00000 0.17518 2 2S 0.00000 1.35652 0.00000 0.00000 -1.10107 3 2PX 0.00000 -0.00000 0.00169 -0.04577 -0.00000 4 2PY -0.00000 -0.00000 -0.04577 -0.00169 -0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.00000 1.66131 -0.00000 -0.00000 -0.72363 7 3PX 0.00000 0.00000 0.01922 -0.52194 -0.00000 8 3PY 0.00000 0.00000 -0.52194 -0.01922 -0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4XX -0.00000 -1.00249 0.00290 -0.07884 0.87036 11 4YY -0.00000 -1.00249 -0.00290 0.07884 0.87036 12 4ZZ -0.00000 -0.83238 -0.00000 0.00000 0.62782 13 4XY -0.00000 0.00000 0.09103 0.00335 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.00000 0.11701 -0.00602 0.16354 -0.16819 17 2S 0.00000 -0.78003 0.03058 -0.83060 0.89605 18 2PX -0.00000 -0.03234 -0.00462 0.12555 -0.05215 19 2PY -0.10387 0.00000 -0.00667 -0.00025 -0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S -0.00000 -0.46860 0.08123 -2.20590 2.14296 22 3PX -0.00000 0.35831 0.05413 -1.47004 0.70991 23 3PY 0.00844 -0.00000 0.20961 0.00772 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 4XX 0.00000 0.65449 -0.02524 0.68539 -0.80973 26 4YY -0.00000 0.44972 -0.03030 0.82283 -0.77602 27 4ZZ -0.00000 0.43848 -0.02115 0.57427 -0.58356 28 4XY -0.13037 -0.00000 0.01279 0.00047 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.15206 0.01747 0.00532 -0.17781 0.11273 32 2S -0.89162 -0.04714 -0.02204 0.87880 -0.55831 33 2PX 0.07979 0.08227 0.00904 -0.08586 0.03413 34 2PY -0.02039 0.04265 0.00274 0.06957 -0.07041 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -0.93636 -0.45342 -0.22385 2.83357 -1.85986 37 3PX -0.09382 -0.19822 0.02956 0.47311 -0.25867 38 3PY -0.07066 0.14972 0.06456 -0.86096 0.58856 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 4XX 0.74364 0.14326 0.02563 -0.87326 0.53543 41 4YY 0.60133 -0.02279 0.01665 -0.72997 0.51670 42 4ZZ 0.56520 0.05975 0.01683 -0.61355 0.37931 43 4XY 0.05450 -0.00923 -0.00393 -0.12091 0.09109 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.12694 -0.11814 -0.00547 0.17609 -0.09409 47 2S 0.74687 0.64215 0.02290 -0.81721 0.39873 48 2PX 0.09462 0.00072 -0.00063 -0.07138 0.04665 49 2PY 0.03929 0.09122 0.00644 -0.11758 0.05836 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.83608 1.18273 0.11556 -2.87036 1.73579 52 3PX -0.06984 -0.12453 0.00885 0.50632 -0.34694 53 3PY -0.10012 -0.33802 -0.07758 1.05952 -0.67917 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX -0.64916 -0.54535 -0.02719 0.86523 -0.45475 56 4YY -0.49987 -0.51588 -0.02043 0.71466 -0.36996 57 4ZZ -0.46755 -0.42747 -0.01735 0.59865 -0.31295 58 4XY 0.03554 0.09150 0.00153 -0.13519 0.07109 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S -0.00000 0.14460 0.00652 -0.17694 0.08799 62 2S 0.00000 -0.78754 -0.03001 0.81504 -0.37093 63 2PX 0.00000 -0.10781 -0.00516 0.14003 -0.07110 64 2PY 0.10810 -0.00000 -0.00472 -0.00017 -0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00000 -1.42547 -0.10941 2.97130 -1.74489 67 3PX -0.00000 0.44831 0.04602 -1.24985 0.79233 68 3PY -0.14169 0.00000 -0.03607 -0.00133 -0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.00000 0.57300 0.02448 -0.66471 0.32218 71 4YY -0.00000 0.74647 0.03374 -0.91638 0.45171 72 4ZZ -0.00000 0.51857 0.02213 -0.60102 0.29183 73 4XY -0.07923 0.00000 0.00375 0.00014 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.12694 -0.11814 -0.00750 0.17602 -0.09409 77 2S -0.74687 0.64215 0.03726 -0.81668 0.39873 78 2PX -0.09462 0.00072 0.00588 -0.07115 0.04665 79 2PY 0.03929 -0.09122 -0.00222 0.11773 -0.05836 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S -0.83608 1.18273 0.09585 -2.87109 1.73578 82 3PX 0.06984 -0.12453 -0.04606 0.50430 -0.34694 83 3PY -0.10012 0.33802 0.00055 -1.06235 0.67917 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.64916 -0.54535 -0.03651 0.86488 -0.45475 86 4YY 0.49986 -0.51588 -0.03219 0.71423 -0.36996 87 4ZZ 0.46755 -0.42747 -0.02672 0.59830 -0.31295 88 4XY 0.03554 -0.09150 -0.00841 0.13494 -0.07109 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.15206 0.01747 0.00777 -0.17772 0.11273 92 2S 0.89162 -0.04714 -0.04265 0.87804 -0.55831 93 2PX -0.07979 0.08227 -0.00270 -0.08629 0.03413 94 2PY -0.02039 -0.04265 0.00785 -0.06918 0.07041 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.93636 -0.45342 0.01486 2.84236 -1.85986 97 3PX 0.09382 -0.19822 -0.06428 0.46966 -0.25867 98 3PY -0.07066 -0.14972 0.00107 0.86337 -0.58856 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX -0.74364 0.14326 0.03866 -0.87278 0.53543 101 4YY -0.60133 -0.02279 0.03708 -0.72922 0.51670 102 4ZZ -0.56520 0.05975 0.02834 -0.61312 0.37931 103 4XY 0.05450 0.00923 -0.01281 0.12030 -0.09109 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.06122 -0.00267 -0.00504 0.08713 -0.06252 107 2S -0.40523 -0.03087 -0.07194 -0.14444 0.01300 108 9 H 1S -0.04135 0.03522 -0.00067 -0.07214 0.04179 109 2S 0.11056 -0.03332 -0.00098 -0.08337 0.08166 110 10 H 1S 0.00000 -0.04804 -0.00263 0.07134 -0.04085 111 2S -0.00000 0.03812 -0.00417 0.11322 -0.09748 112 11 H 1S 0.04135 0.03522 0.00598 -0.07190 0.04179 113 2S -0.11056 -0.03332 0.00710 -0.08307 0.08166 114 12 H 1S -0.06122 -0.00267 -0.00138 0.08727 -0.06252 115 2S 0.40523 -0.03087 0.08237 -0.13876 0.01300 116 13 C 1S -0.00000 0.11701 0.14464 -0.07655 -0.16819 117 2S 0.00000 -0.78003 -0.73461 0.38881 0.89605 118 2PX 0.08995 0.01617 -0.05823 0.02428 0.02608 119 2PY 0.05193 -0.02801 0.09460 -0.05385 -0.04517 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S -0.00000 -0.46860 -1.95097 1.03260 2.14296 122 3PX -0.00731 -0.17915 0.73505 -0.18352 -0.35496 123 3PY -0.00422 0.31030 -1.07691 0.68864 0.61480 124 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX -0.09777 0.50091 0.69286 -0.37758 -0.78445 126 4YY 0.09777 0.60330 0.64106 -0.32844 -0.80130 127 4ZZ -0.00000 0.43848 0.50791 -0.26882 -0.58356 128 4XY 0.06518 -0.10239 0.06377 -0.02651 0.01685 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S -0.15206 0.01747 -0.15780 0.08213 0.11273 132 2S 0.89162 -0.04714 0.78173 -0.40208 -0.55831 133 2PX 0.05756 -0.00420 0.09198 -0.04681 -0.07804 134 2PY -0.05890 0.09257 -0.03163 0.02549 -0.00565 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.93636 -0.45342 2.45413 -1.43404 -1.85986 137 3PX 0.01429 0.22877 -0.86650 0.46424 0.63904 138 3PY 0.11658 -0.09680 0.00649 0.06115 0.07027 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX -0.59603 0.02565 -0.59841 0.31331 0.45306 141 4YY -0.74894 0.09483 -0.82684 0.42210 0.59907 142 4ZZ -0.56520 0.05975 -0.54515 0.28202 0.37931 143 4XY 0.04391 -0.08764 0.00727 -0.01068 0.03618 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.12694 -0.11814 0.15618 -0.08152 -0.09409 147 2S -0.74687 0.64215 -0.72590 0.37607 0.39873 148 2PX 0.01328 0.07864 -0.05699 0.03407 0.02722 149 2PY -0.10159 0.04623 -0.10744 0.05487 0.06958 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.83608 1.18273 -2.53436 1.35253 1.73578 152 3PX 0.05179 -0.23047 0.56712 -0.35347 -0.41471 153 3PY 0.11055 -0.27685 0.85832 -0.44917 -0.64004 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.56385 -0.59187 0.75859 -0.39227 -0.44448 156 4YY 0.58518 -0.46936 0.64331 -0.33779 -0.38023 157 4ZZ 0.46755 -0.42747 0.53151 -0.27601 -0.31295 158 4XY -0.09242 0.06048 -0.12685 0.06588 0.07794 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.00000 0.14460 -0.15649 0.08283 0.08799 162 2S 0.00000 -0.78754 0.72085 -0.38153 -0.37093 163 2PX -0.09362 0.05391 -0.06383 0.02916 0.03555 164 2PY -0.05405 -0.09337 0.10615 -0.05885 -0.06158 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 -1.42547 2.62793 -1.39090 -1.74489 167 3PX 0.12270 -0.22415 0.53808 -0.32017 -0.39617 168 3PY 0.07084 0.38825 -0.96576 0.49073 0.68618 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX -0.05942 0.70310 -0.75615 0.39703 0.41932 171 4YY 0.05942 0.61637 -0.64222 0.34310 0.35456 172 4ZZ -0.00000 0.51857 -0.53157 0.28135 0.29183 173 4XY 0.03961 0.08673 -0.11041 0.06056 0.06477 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.12694 -0.11814 0.15523 -0.08331 -0.09409 177 2S 0.74687 0.64215 -0.71917 0.38877 0.39873 178 2PX -0.08134 -0.07936 0.12173 -0.06420 -0.07387 179 2PY 0.06229 -0.04499 -0.00074 0.00478 0.01122 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.83608 1.18273 -2.54358 1.33511 1.73579 182 3PX 0.12163 0.35499 -1.04526 0.53101 0.76165 183 3PY -0.01043 0.06117 -0.10227 0.00540 0.03913 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.51053 -0.45462 0.57419 -0.30729 -0.33784 186 4YY -0.63850 -0.60660 0.81785 -0.44141 -0.48687 187 4ZZ -0.46755 -0.42747 0.52712 -0.28430 -0.31295 188 4XY 0.05688 -0.03101 -0.00796 0.00158 0.00685 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.15206 0.01747 -0.15665 0.08430 0.11273 192 2S -0.89162 -0.04714 0.77208 -0.42031 -0.55831 193 2PX -0.02223 -0.07807 -0.01156 0.01463 0.04391 194 2PY 0.07930 0.04992 -0.09775 0.04898 0.06477 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.93636 -0.45342 2.56587 -1.22292 -1.85986 197 3PX 0.10810 -0.03055 0.47620 -0.19330 -0.38038 198 3PY -0.04592 -0.24652 0.73098 -0.41432 -0.51829 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.67778 0.01180 -0.74971 0.41443 0.58970 201 4YY 0.66719 0.10867 -0.65988 0.35057 0.46243 202 4ZZ 0.56520 0.05975 -0.53976 0.29220 0.37931 203 4XY -0.09841 -0.07841 0.11567 -0.06386 -0.05491 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.06122 -0.00267 0.07626 -0.04244 -0.06252 207 2S 0.40523 -0.03087 -0.16135 -0.00196 0.01300 208 20 H 1S 0.04135 0.03522 -0.06525 0.03077 0.04179 209 2S -0.11056 -0.03332 -0.07550 0.03538 0.08166 210 21 H 1S 0.00000 -0.04804 0.06309 -0.03339 -0.04085 211 2S -0.00000 0.03812 0.10013 -0.05300 -0.09748 212 22 H 1S -0.04135 0.03522 -0.06214 0.03665 0.04179 213 2S 0.11056 -0.03332 -0.07171 0.04253 0.08166 214 23 H 1S 0.06122 -0.00267 0.07798 -0.03920 -0.06252 215 2S -0.40523 -0.03087 -0.08912 0.13452 0.01300 216 24 C 1S -0.00000 0.11701 -0.13862 -0.08698 -0.16819 217 2S 0.00000 -0.78003 0.70403 0.44179 0.89605 218 2PX -0.08995 0.01617 0.05628 0.02849 0.02608 219 2PY 0.05193 0.02801 0.09039 0.06066 0.04517 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.00000 -0.46860 1.86975 1.17329 2.14296 222 3PX 0.00731 -0.17915 -0.71957 -0.23708 -0.35495 223 3PY -0.00422 -0.31030 -1.02335 -0.76598 -0.61480 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.09777 0.50091 -0.66321 -0.42751 -0.78445 226 4YY -0.09777 0.60330 -0.61517 -0.37469 -0.80130 227 4ZZ -0.00000 0.43848 -0.48676 -0.30545 -0.58356 228 4XY 0.06518 0.10239 0.06165 0.03113 -0.01685 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S -0.15206 0.01747 0.15003 0.09559 0.11273 232 2S 0.89162 -0.04714 -0.73908 -0.47596 -0.55831 233 2PX 0.02223 -0.07807 0.01045 0.01544 0.04391 234 2PY 0.07930 -0.04992 -0.09388 -0.05603 -0.06477 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S 0.93636 -0.45342 -2.46898 -1.40831 -1.85986 237 3PX -0.10810 -0.03055 -0.46070 -0.22780 -0.38038 238 3PY -0.04592 0.24652 0.69853 0.46696 0.51829 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX -0.67778 0.01180 0.71720 0.46844 0.58970 241 4YY -0.66719 0.10867 0.63231 0.39815 0.46243 242 4ZZ -0.56520 0.05975 0.51681 0.33110 0.37931 243 4XY -0.09841 0.07841 0.11066 0.07220 0.05491 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.12694 -0.11814 -0.14869 -0.09450 -0.09409 247 2S -0.74687 0.64215 0.68863 0.44061 0.39873 248 2PX 0.08134 -0.07936 -0.11668 -0.07298 -0.07387 249 2PY 0.06229 0.04499 -0.00039 -0.00482 -0.01122 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.83608 1.18273 2.43851 1.51855 1.73578 252 3PX -0.12163 0.35499 1.00338 0.60645 0.76165 253 3PY -0.01043 -0.06117 -0.10160 -0.01291 -0.03913 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.51053 -0.45462 -0.55003 -0.34869 -0.33784 256 4YY 0.63850 -0.60660 -0.78317 -0.50036 -0.48687 257 4ZZ 0.46755 -0.42747 -0.50478 -0.32229 -0.31295 258 4XY 0.05688 0.03101 -0.00783 -0.00216 -0.00685 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S -0.00000 0.14460 0.14998 0.09411 0.08799 262 2S 0.00000 -0.78754 -0.69084 -0.43351 -0.37093 263 2PX 0.09362 0.05391 0.06152 0.03377 0.03555 264 2PY -0.05405 0.09337 0.10153 0.06650 0.06158 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.00000 -1.42547 -2.51852 -1.58040 -1.74489 267 3PX -0.12270 -0.22415 -0.51308 -0.35887 -0.39617 268 3PY 0.07084 -0.38825 -0.92706 -0.56043 -0.68618 269 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 270 4XX 0.05942 0.70310 0.72491 0.45156 0.41932 271 4YY -0.05942 0.61637 0.61525 0.38941 0.35456 272 4ZZ -0.00000 0.51857 0.50944 0.31968 0.29183 273 4XY 0.03961 -0.08673 -0.10566 -0.06852 -0.06477 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.12694 -0.11814 -0.14977 -0.09278 -0.09409 277 2S 0.74687 0.64215 0.69627 0.42844 0.39873 278 2PX -0.01328 0.07864 0.05433 0.03817 0.02722 279 2PY -0.10159 -0.04623 -0.10311 -0.06262 -0.06958 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.83608 1.18273 2.42803 1.53525 1.73579 282 3PX -0.05178 -0.23047 -0.53959 -0.39422 -0.41471 283 3PY 0.11055 0.27685 0.82296 0.51107 0.64004 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.56385 -0.59187 -0.72769 -0.44700 -0.44448 286 4YY -0.58518 -0.46936 -0.61672 -0.38418 -0.38023 287 4ZZ -0.46755 -0.42747 -0.50977 -0.31435 -0.31295 288 4XY -0.09242 -0.06048 -0.12166 -0.07503 -0.07794 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.15206 0.01747 0.15133 0.09352 0.11273 292 2S -0.89162 -0.04714 -0.75005 -0.45849 -0.55831 293 2PX -0.05756 -0.00420 -0.08828 -0.05345 -0.07804 294 2PY -0.05890 -0.09257 -0.02967 -0.02775 0.00565 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -0.93636 -0.45342 -2.34202 -1.61064 -1.85986 297 3PX -0.01429 0.22877 0.83002 0.52670 0.63904 298 3PY 0.11658 0.09680 0.01097 -0.06050 -0.07027 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.59603 0.02565 0.57374 0.35647 0.45306 301 4YY 0.74894 0.09483 0.79356 0.48176 0.59907 302 4ZZ 0.56520 0.05975 0.52293 0.32135 0.37931 303 4XY 0.04391 0.08764 0.00646 0.01118 -0.03618 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.06122 -0.00267 -0.07489 -0.04483 -0.06252 307 2S 0.40523 -0.03087 0.07898 0.14071 0.01300 308 31 H 1S 0.04135 0.03522 0.05928 0.04112 0.04179 309 2S -0.11056 -0.03332 0.06839 0.04769 0.08166 310 32 H 1S 0.00000 -0.04804 -0.06047 -0.03794 -0.04085 311 2S -0.00000 0.03812 -0.09596 -0.06022 -0.09748 312 33 H 1S -0.04135 0.03522 0.06281 0.03549 0.04179 313 2S 0.11056 -0.03332 0.07269 0.04084 0.08166 314 34 H 1S 0.06122 -0.00267 -0.07294 -0.04793 -0.06252 315 2S -0.40523 -0.03087 0.16106 0.00992 0.01300 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05206 2 2S -0.07223 0.35961 3 2PX 0.00000 0.00000 0.42207 4 2PY 0.00000 0.00000 0.00000 0.42207 5 2PZ -0.00000 0.00000 0.00000 -0.00000 0.24692 6 3S -0.19081 0.32741 0.00000 0.00000 -0.00000 7 3PX -0.00000 0.00000 0.12383 0.00000 0.00000 8 3PY -0.00000 0.00000 -0.00000 0.12383 -0.00000 9 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.15942 10 4XX -0.01737 -0.00131 0.01566 -0.00000 0.00000 11 4YY -0.01737 -0.00131 -0.01566 0.00000 -0.00000 12 4ZZ -0.01010 -0.01639 0.00000 -0.00000 -0.00000 13 4XY 0.00000 0.00000 -0.00000 -0.01808 0.00000 14 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 16 2 C 1S 0.01370 -0.02893 -0.07331 0.00000 -0.00000 17 2S -0.02719 0.05277 0.14740 -0.00000 0.00000 18 2PX 0.06938 -0.14690 -0.31046 0.00000 -0.00000 19 2PY 0.00000 -0.00000 -0.00000 0.00848 -0.00000 20 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.15007 21 3S 0.00035 0.01869 0.18444 -0.00000 0.00000 22 3PX 0.00364 -0.01932 -0.07383 -0.00000 -0.00000 23 3PY -0.00000 0.00000 -0.00000 0.04765 -0.00000 24 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.08556 25 4XX -0.00668 0.01192 0.00962 -0.00000 0.00000 26 4YY 0.00254 -0.00650 -0.01128 -0.00000 -0.00000 27 4ZZ 0.00145 -0.00373 -0.00617 -0.00000 -0.00000 28 4XY -0.00000 0.00000 0.00000 -0.00972 0.00000 29 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00586 30 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 31 3 C 1S -0.00344 0.00811 0.01612 0.00433 -0.00000 32 2S 0.00704 -0.01672 -0.03274 -0.00885 0.00000 33 2PX -0.01359 0.03131 0.05502 0.01076 -0.00000 34 2PY -0.00857 0.01858 0.03253 0.01379 -0.00000 35 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.04035 36 3S 0.00832 -0.02058 -0.08494 -0.04388 0.00000 37 3PX -0.00436 0.01153 0.00908 0.02543 -0.00000 38 3PY -0.00339 0.00739 0.02880 0.02766 -0.00000 39 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.02481 40 4XX -0.00175 0.00369 0.00810 0.00083 -0.00000 41 4YY 0.00139 -0.00267 -0.00620 0.00031 0.00000 42 4ZZ -0.00034 0.00077 0.00120 0.00022 0.00000 43 4XY -0.00038 0.00078 0.00312 -0.00019 0.00000 44 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00484 45 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00341 46 4 C 1S 0.00171 -0.00409 -0.00875 -0.00134 0.00000 47 2S -0.00447 0.01001 0.01880 0.00266 -0.00000 48 2PX 0.00987 -0.02153 -0.04270 -0.00453 0.00000 49 2PY 0.00131 -0.00172 -0.00309 0.00196 0.00000 50 2PZ -0.00000 0.00000 0.00000 0.00000 -0.03496 51 3S -0.00167 0.00570 0.05082 0.00053 0.00000 52 3PX 0.00411 -0.00929 -0.03438 0.00259 -0.00000 53 3PY -0.00317 0.00538 -0.00408 -0.00769 0.00000 54 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.02877 55 4XX 0.00020 -0.00039 -0.00063 -0.00015 0.00000 56 4YY 0.00038 -0.00085 -0.00142 0.00002 -0.00000 57 4ZZ -0.00004 -0.00006 -0.00039 -0.00011 -0.00000 58 4XY 0.00027 -0.00053 -0.00116 -0.00044 0.00000 59 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00224 60 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00197 61 5 C 1S 0.00007 -0.00012 0.00015 0.00000 0.00000 62 2S 0.00047 -0.00108 -0.00064 -0.00000 -0.00000 63 2PX -0.00020 0.00164 0.00050 0.00000 0.00000 64 2PY 0.00000 -0.00000 -0.00000 -0.00052 0.00000 65 2PZ -0.00000 0.00000 0.00000 0.00000 -0.06318 66 3S -0.00598 0.00967 -0.00480 -0.00000 -0.00000 67 3PX 0.00344 -0.00552 0.00677 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 -0.00535 0.00000 69 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.03927 70 4XX -0.00062 0.00137 0.00240 0.00000 0.00000 71 4YY 0.00027 -0.00055 -0.00129 -0.00000 -0.00000 72 4ZZ 0.00008 -0.00016 -0.00001 -0.00000 0.00000 73 4XY -0.00000 0.00000 0.00000 0.00003 -0.00000 74 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00143 75 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 76 6 C 1S 0.00171 -0.00409 -0.00875 0.00134 -0.00000 77 2S -0.00447 0.01001 0.01880 -0.00266 0.00000 78 2PX 0.00987 -0.02153 -0.04270 0.00453 -0.00000 79 2PY -0.00131 0.00172 0.00309 0.00196 0.00000 80 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.03496 81 3S -0.00167 0.00570 0.05082 -0.00053 0.00000 82 3PX 0.00411 -0.00929 -0.03438 -0.00259 0.00000 83 3PY 0.00317 -0.00538 0.00408 -0.00770 0.00000 84 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.02877 85 4XX 0.00020 -0.00039 -0.00063 0.00015 -0.00000 86 4YY 0.00038 -0.00085 -0.00142 -0.00002 0.00000 87 4ZZ -0.00004 -0.00006 -0.00039 0.00011 0.00000 88 4XY -0.00027 0.00053 0.00116 -0.00044 0.00000 89 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00224 90 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00197 91 7 C 1S -0.00344 0.00811 0.01612 -0.00433 0.00000 92 2S 0.00704 -0.01672 -0.03274 0.00885 -0.00000 93 2PX -0.01359 0.03131 0.05502 -0.01076 0.00000 94 2PY 0.00857 -0.01858 -0.03253 0.01379 -0.00000 95 2PZ -0.00000 0.00000 0.00000 -0.00000 0.04035 96 3S 0.00832 -0.02058 -0.08494 0.04388 -0.00000 97 3PX -0.00436 0.01153 0.00908 -0.02543 0.00000 98 3PY 0.00339 -0.00739 -0.02880 0.02766 -0.00000 99 3PZ -0.00000 0.00000 0.00000 -0.00000 0.02481 100 4XX -0.00175 0.00369 0.00810 -0.00083 0.00000 101 4YY 0.00139 -0.00267 -0.00620 -0.00031 -0.00000 102 4ZZ -0.00034 0.00077 0.00120 -0.00022 -0.00000 103 4XY 0.00038 -0.00078 -0.00312 -0.00019 0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00484 105 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00341 106 8 H 1S 0.00409 -0.00998 -0.01954 0.00245 -0.00000 107 2S 0.00372 -0.00811 -0.02357 0.00163 -0.00000 108 9 H 1S 0.00296 -0.00562 -0.01088 0.00063 -0.00000 109 2S 0.00493 -0.00971 -0.01567 0.00118 -0.00000 110 10 H 1S -0.00162 0.00409 0.00648 0.00000 0.00000 111 2S -0.00357 0.00795 0.01031 -0.00000 0.00000 112 11 H 1S 0.00296 -0.00562 -0.01088 -0.00063 0.00000 113 2S 0.00493 -0.00971 -0.01567 -0.00118 0.00000 114 12 H 1S 0.00409 -0.00998 -0.01954 -0.00245 0.00000 115 2S 0.00372 -0.00811 -0.02357 -0.00163 0.00000 116 13 C 1S 0.01370 -0.02893 0.03666 -0.06349 0.00000 117 2S -0.02719 0.05277 -0.07370 0.12765 -0.00000 118 2PX -0.03469 0.07345 -0.07125 0.13811 -0.00000 119 2PY 0.06008 -0.12722 0.13811 -0.23072 0.00000 120 2PZ -0.00000 0.00000 -0.00000 0.00000 0.15007 121 3S 0.00035 0.01869 -0.09222 0.15973 -0.00000 122 3PX -0.00182 0.00966 0.01728 0.05260 -0.00000 123 3PY 0.00315 -0.01673 0.05260 -0.04346 -0.00000 124 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.08556 125 4XX 0.00024 -0.00189 0.00934 -0.00160 0.00000 126 4YY -0.00437 0.00732 -0.00851 0.00016 0.00000 127 4ZZ 0.00145 -0.00373 0.00309 -0.00535 0.00000 128 4XY 0.00461 -0.00921 0.00102 -0.01148 0.00000 129 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00293 130 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00507 131 14 C 1S -0.00344 0.00811 -0.00431 0.01613 -0.00000 132 2S 0.00704 -0.01672 0.00870 -0.03278 0.00000 133 2PX -0.00063 0.00044 0.00535 0.00385 -0.00000 134 2PY -0.01605 0.03641 -0.01792 0.06345 -0.00000 135 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.04035 136 3S 0.00832 -0.02058 0.00447 -0.09549 0.00000 137 3PX -0.00075 0.00064 -0.00047 0.02329 -0.00000 138 3PY -0.00547 0.01368 0.01992 0.03721 -0.00000 139 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.02481 140 4XX 0.00089 -0.00167 0.00299 -0.00400 0.00000 141 4YY -0.00125 0.00268 -0.00295 0.00622 0.00000 142 4ZZ -0.00034 0.00077 -0.00040 0.00115 0.00000 143 4XY 0.00138 -0.00279 0.00249 -0.00502 0.00000 144 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00053 145 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00590 146 15 C 1S 0.00171 -0.00409 0.00322 -0.00824 0.00000 147 2S -0.00447 0.01001 -0.00710 0.01761 -0.00000 148 2PX -0.00380 0.00928 -0.00591 0.01815 -0.00000 149 2PY 0.00920 -0.01951 0.01671 -0.03483 0.00000 150 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.03496 151 3S -0.00167 0.00570 -0.02495 0.04428 -0.00000 152 3PX -0.00480 0.00930 -0.01372 0.00785 -0.00000 153 3PY 0.00198 -0.00535 0.01452 -0.02836 0.00000 154 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.02877 155 4XX 0.00013 -0.00034 0.00044 -0.00016 0.00000 156 4YY 0.00044 -0.00090 0.00047 -0.00169 0.00000 157 4ZZ -0.00004 -0.00006 0.00010 -0.00040 0.00000 158 4XY 0.00022 -0.00049 0.00037 -0.00091 -0.00000 159 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00283 160 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00096 161 16 C 1S 0.00007 -0.00012 -0.00007 0.00013 -0.00000 162 2S 0.00047 -0.00108 0.00032 -0.00056 0.00000 163 2PX 0.00010 -0.00082 -0.00026 -0.00044 0.00000 164 2PY -0.00017 0.00142 -0.00044 0.00025 0.00000 165 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.06318 166 3S -0.00598 0.00967 0.00240 -0.00415 0.00000 167 3PX -0.00172 0.00276 -0.00232 -0.00524 0.00000 168 3PY 0.00298 -0.00478 -0.00524 0.00374 0.00000 169 3PZ -0.00000 0.00000 0.00000 0.00000 -0.03927 170 4XX 0.00004 -0.00007 0.00017 -0.00033 0.00000 171 4YY -0.00040 0.00089 -0.00072 0.00129 -0.00000 172 4ZZ 0.00008 -0.00016 0.00000 -0.00001 -0.00000 173 4XY 0.00044 -0.00096 0.00093 -0.00159 0.00000 174 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00071 175 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00124 176 17 C 1S 0.00171 -0.00409 0.00553 -0.00691 0.00000 177 2S -0.00447 0.01001 -0.01170 0.01495 -0.00000 178 2PX -0.00607 0.01225 -0.01250 0.02052 -0.00000 179 2PY 0.00789 -0.01779 0.02196 -0.02824 0.00000 180 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.03496 181 3S -0.00167 0.00570 -0.02587 0.04375 -0.00000 182 3PX 0.00069 -0.00001 -0.01501 0.01526 -0.00000 183 3PY 0.00514 -0.01073 0.00859 -0.02707 0.00000 184 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.02877 185 4XX 0.00053 -0.00113 0.00135 -0.00163 0.00000 186 4YY 0.00004 -0.00011 -0.00021 -0.00008 0.00000 187 4ZZ -0.00004 -0.00006 0.00029 -0.00029 0.00000 188 4XY -0.00004 0.00003 -0.00035 0.00001 0.00000 189 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00059 190 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00293 191 18 C 1S -0.00344 0.00811 -0.01181 0.01180 -0.00000 192 2S 0.00704 -0.01672 0.02403 -0.02393 0.00000 193 2PX 0.01422 -0.03175 0.04284 -0.03956 0.00000 194 2PY -0.00748 0.01783 -0.01779 0.02597 -0.00000 195 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.04035 196 3S 0.00832 -0.02058 0.08047 -0.05162 0.00000 197 3PX 0.00512 -0.01216 0.04650 -0.00720 0.00000 198 3PY -0.00208 0.00629 -0.00382 -0.00976 -0.00000 199 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.02481 200 4XX 0.00032 -0.00050 -0.00012 -0.00040 0.00000 201 4YY -0.00068 0.00151 -0.00183 0.00147 0.00000 202 4ZZ -0.00034 0.00077 -0.00079 0.00092 0.00000 203 4XY 0.00176 -0.00357 0.00450 -0.00746 0.00000 204 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00538 205 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00249 206 19 H 1S 0.00409 -0.00998 0.01189 -0.01570 0.00000 207 2S 0.00372 -0.00811 0.01319 -0.01960 0.00000 208 20 H 1S 0.00296 -0.00562 0.00598 -0.00910 0.00000 209 2S 0.00493 -0.00971 0.00886 -0.01298 0.00000 210 21 H 1S -0.00162 0.00409 -0.00324 0.00561 -0.00000 211 2S -0.00357 0.00795 -0.00516 0.00893 -0.00000 212 22 H 1S 0.00296 -0.00562 0.00489 -0.00973 0.00000 213 2S 0.00493 -0.00971 0.00681 -0.01416 0.00000 214 23 H 1S 0.00409 -0.00998 0.00765 -0.01814 0.00000 215 2S 0.00372 -0.00811 0.01038 -0.02123 0.00000 216 24 C 1S 0.01370 -0.02893 0.03666 0.06349 -0.00000 217 2S -0.02719 0.05277 -0.07370 -0.12765 0.00000 218 2PX -0.03469 0.07345 -0.07125 -0.13811 0.00000 219 2PY -0.06008 0.12722 -0.13811 -0.23072 0.00000 220 2PZ 0.00000 -0.00000 0.00000 0.00000 0.15007 221 3S 0.00035 0.01869 -0.09222 -0.15973 0.00000 222 3PX -0.00182 0.00966 0.01728 -0.05260 0.00000 223 3PY -0.00315 0.01673 -0.05260 -0.04346 -0.00000 224 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.08556 225 4XX 0.00024 -0.00189 0.00934 0.00160 -0.00000 226 4YY -0.00437 0.00732 -0.00851 -0.00016 -0.00000 227 4ZZ 0.00145 -0.00373 0.00309 0.00535 -0.00000 228 4XY -0.00461 0.00921 -0.00102 -0.01148 0.00000 229 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00293 230 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00507 231 25 C 1S -0.00344 0.00811 -0.01181 -0.01180 0.00000 232 2S 0.00704 -0.01672 0.02403 0.02393 -0.00000 233 2PX 0.01422 -0.03175 0.04284 0.03956 -0.00000 234 2PY 0.00748 -0.01783 0.01779 0.02597 -0.00000 235 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.04035 236 3S 0.00832 -0.02058 0.08047 0.05162 -0.00000 237 3PX 0.00512 -0.01216 0.04650 0.00720 -0.00000 238 3PY 0.00208 -0.00629 0.00382 -0.00976 -0.00000 239 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.02481 240 4XX 0.00032 -0.00050 -0.00012 0.00040 -0.00000 241 4YY -0.00068 0.00151 -0.00183 -0.00147 -0.00000 242 4ZZ -0.00034 0.00077 -0.00079 -0.00092 -0.00000 243 4XY -0.00176 0.00357 -0.00450 -0.00746 0.00000 244 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00538 245 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00249 246 26 C 1S 0.00171 -0.00409 0.00553 0.00691 -0.00000 247 2S -0.00447 0.01001 -0.01170 -0.01495 0.00000 248 2PX -0.00607 0.01225 -0.01250 -0.02052 0.00000 249 2PY -0.00789 0.01779 -0.02196 -0.02824 0.00000 250 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.03496 251 3S -0.00167 0.00570 -0.02587 -0.04375 0.00000 252 3PX 0.00069 -0.00001 -0.01501 -0.01526 0.00000 253 3PY -0.00514 0.01073 -0.00859 -0.02707 0.00000 254 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.02877 255 4XX 0.00053 -0.00113 0.00135 0.00163 -0.00000 256 4YY 0.00004 -0.00011 -0.00021 0.00008 -0.00000 257 4ZZ -0.00004 -0.00006 0.00029 0.00029 -0.00000 258 4XY 0.00004 -0.00003 0.00035 0.00001 0.00000 259 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00059 260 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00293 261 27 C 1S 0.00007 -0.00012 -0.00007 -0.00013 0.00000 262 2S 0.00047 -0.00108 0.00032 0.00056 -0.00000 263 2PX 0.00010 -0.00082 -0.00026 0.00044 -0.00000 264 2PY 0.00017 -0.00142 0.00044 0.00025 0.00000 265 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.06318 266 3S -0.00598 0.00967 0.00240 0.00415 -0.00000 267 3PX -0.00172 0.00276 -0.00232 0.00524 -0.00000 268 3PY -0.00298 0.00478 0.00524 0.00374 0.00000 269 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.03927 270 4XX 0.00004 -0.00007 0.00017 0.00033 -0.00000 271 4YY -0.00040 0.00089 -0.00072 -0.00129 0.00000 272 4ZZ 0.00008 -0.00016 0.00000 0.00001 0.00000 273 4XY -0.00044 0.00096 -0.00093 -0.00159 0.00000 274 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00071 275 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00124 276 28 C 1S 0.00171 -0.00409 0.00322 0.00824 -0.00000 277 2S -0.00447 0.01001 -0.00710 -0.01761 0.00000 278 2PX -0.00380 0.00928 -0.00591 -0.01815 0.00000 279 2PY -0.00920 0.01951 -0.01671 -0.03483 0.00000 280 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.03496 281 3S -0.00167 0.00570 -0.02495 -0.04428 0.00000 282 3PX -0.00480 0.00930 -0.01372 -0.00785 0.00000 283 3PY -0.00198 0.00535 -0.01452 -0.02836 0.00000 284 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.02877 285 4XX 0.00013 -0.00034 0.00044 0.00016 -0.00000 286 4YY 0.00044 -0.00090 0.00047 0.00169 -0.00000 287 4ZZ -0.00004 -0.00006 0.00010 0.00040 -0.00000 288 4XY -0.00022 0.00049 -0.00037 -0.00091 -0.00000 289 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00283 290 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00096 291 29 C 1S -0.00344 0.00811 -0.00431 -0.01613 0.00000 292 2S 0.00704 -0.01672 0.00870 0.03278 -0.00000 293 2PX -0.00063 0.00044 0.00535 -0.00385 0.00000 294 2PY 0.01605 -0.03641 0.01792 0.06345 -0.00000 295 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.04035 296 3S 0.00832 -0.02058 0.00447 0.09550 -0.00000 297 3PX -0.00075 0.00064 -0.00047 -0.02329 0.00000 298 3PY 0.00547 -0.01368 -0.01991 0.03720 -0.00000 299 3PZ -0.00000 0.00000 0.00000 -0.00000 0.02481 300 4XX 0.00089 -0.00167 0.00299 0.00400 -0.00000 301 4YY -0.00125 0.00268 -0.00295 -0.00622 -0.00000 302 4ZZ -0.00034 0.00077 -0.00040 -0.00115 -0.00000 303 4XY -0.00138 0.00279 -0.00249 -0.00502 0.00000 304 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00053 305 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00590 306 30 H 1S 0.00409 -0.00998 0.00765 0.01814 -0.00000 307 2S 0.00372 -0.00811 0.01038 0.02123 -0.00000 308 31 H 1S 0.00296 -0.00562 0.00489 0.00973 -0.00000 309 2S 0.00493 -0.00971 0.00681 0.01416 -0.00000 310 32 H 1S -0.00162 0.00409 -0.00324 -0.00561 0.00000 311 2S -0.00357 0.00795 -0.00516 -0.00893 0.00000 312 33 H 1S 0.00296 -0.00562 0.00598 0.00910 -0.00000 313 2S 0.00493 -0.00971 0.00886 0.01298 -0.00000 314 34 H 1S 0.00409 -0.00998 0.01189 0.01569 -0.00000 315 2S 0.00372 -0.00811 0.01319 0.01960 -0.00000 6 7 8 9 10 6 3S 0.35954 7 3PX 0.00000 0.10555 8 3PY 0.00000 0.00000 0.10555 9 3PZ 0.00000 0.00000 -0.00000 0.10346 10 4XX -0.00172 0.00129 -0.00000 0.00000 0.00118 11 4YY -0.00172 -0.00129 0.00000 -0.00000 -0.00072 12 4ZZ -0.01331 -0.00000 -0.00000 -0.00000 0.00014 13 4XY 0.00000 -0.00000 -0.00149 0.00000 0.00000 14 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 16 2 C 1S 0.00750 -0.00074 -0.00000 -0.00000 -0.00688 17 2S -0.00763 0.00913 0.00000 0.00000 0.01147 18 2PX -0.16138 -0.09734 0.00000 -0.00000 -0.00928 19 2PY -0.00000 -0.00000 0.08580 -0.00000 -0.00000 20 2PZ -0.00000 -0.00000 -0.00000 0.09486 -0.00000 21 3S -0.03528 -0.02747 -0.00000 -0.00000 0.01381 22 3PX -0.01022 0.02323 -0.00000 0.00000 -0.00513 23 3PY -0.00000 0.00000 0.00383 -0.00000 0.00000 24 3PZ -0.00000 0.00000 -0.00000 0.05443 -0.00000 25 4XX 0.01286 0.00336 -0.00000 0.00000 0.00029 26 4YY -0.00661 -0.00310 -0.00000 -0.00000 -0.00037 27 4ZZ -0.00135 -0.00033 -0.00000 -0.00000 -0.00047 28 4XY 0.00000 0.00000 -0.00116 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 -0.00395 0.00000 30 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 31 3 C 1S 0.00731 0.00199 -0.00068 0.00000 -0.00010 32 2S -0.00989 0.00047 0.00387 -0.00000 0.00025 33 2PX 0.07397 0.04501 -0.07583 0.00000 -0.00100 34 2PY 0.04487 0.02399 -0.01724 0.00000 -0.00120 35 2PZ -0.00000 -0.00000 -0.00000 0.02265 0.00000 36 3S -0.01557 -0.03841 0.01890 -0.00000 -0.00136 37 3PX 0.02103 -0.00941 -0.02969 0.00000 0.00047 38 3PY 0.01549 0.01560 -0.00450 -0.00000 0.00002 39 3PZ -0.00000 -0.00000 -0.00000 0.01398 0.00000 40 4XX 0.00433 0.00268 -0.00055 0.00000 0.00021 41 4YY -0.00459 -0.00318 0.00100 0.00000 -0.00003 42 4ZZ 0.00070 0.00009 -0.00053 0.00000 -0.00007 43 4XY -0.00162 -0.00063 0.00021 0.00000 0.00027 44 4XZ 0.00000 0.00000 0.00000 -0.00329 -0.00000 45 4YZ 0.00000 0.00000 0.00000 -0.00212 0.00000 46 4 C 1S -0.00840 -0.00596 0.01164 -0.00000 -0.00009 47 2S 0.01500 0.00706 -0.01846 0.00000 0.00009 48 2PX -0.06307 -0.04406 0.05792 -0.00000 0.00001 49 2PY -0.01428 -0.01144 -0.03195 0.00000 0.00003 50 2PZ 0.00000 0.00000 0.00000 -0.02754 -0.00000 51 3S 0.00338 0.03666 -0.01526 0.00000 0.00051 52 3PX -0.02403 -0.03073 0.01624 -0.00000 -0.00026 53 3PY 0.00388 -0.00864 -0.01045 0.00000 -0.00005 54 3PZ -0.00000 0.00000 0.00000 -0.02145 0.00000 55 4XX 0.00083 0.00112 -0.00067 0.00000 -0.00004 56 4YY -0.00269 -0.00175 0.00057 -0.00000 0.00001 57 4ZZ -0.00027 -0.00045 0.00088 -0.00000 0.00001 58 4XY -0.00150 -0.00099 -0.00139 0.00000 0.00002 59 4XZ 0.00000 0.00000 0.00000 -0.00141 -0.00000 60 4YZ 0.00000 0.00000 -0.00000 0.00148 -0.00000 61 5 C 1S 0.00352 0.00304 0.00000 0.00000 0.00015 62 2S -0.00627 -0.00371 -0.00000 -0.00000 -0.00013 63 2PX 0.00323 0.00145 0.00000 0.00000 -0.00026 64 2PY -0.00000 -0.00000 0.05607 -0.00000 -0.00000 65 2PZ 0.00000 0.00000 -0.00000 -0.04647 -0.00000 66 3S 0.01494 -0.00968 -0.00000 -0.00000 -0.00033 67 3PX -0.01025 0.00965 0.00000 0.00000 0.00005 68 3PY -0.00000 -0.00000 0.02268 -0.00000 -0.00000 69 3PZ -0.00000 0.00000 -0.00000 -0.02867 0.00000 70 4XX 0.00370 0.00247 -0.00000 0.00000 -0.00001 71 4YY -0.00233 -0.00190 0.00000 -0.00000 0.00001 72 4ZZ -0.00022 0.00014 0.00000 0.00000 0.00001 73 4XY -0.00000 -0.00000 -0.00026 -0.00000 -0.00000 74 4XZ 0.00000 0.00000 -0.00000 0.00116 -0.00000 75 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 76 6 C 1S -0.00840 -0.00596 -0.01164 0.00000 -0.00009 77 2S 0.01500 0.00706 0.01846 -0.00000 0.00009 78 2PX -0.06307 -0.04406 -0.05792 0.00000 0.00001 79 2PY 0.01428 0.01144 -0.03195 0.00000 -0.00003 80 2PZ -0.00000 -0.00000 0.00000 -0.02754 0.00000 81 3S 0.00338 0.03666 0.01526 -0.00000 0.00051 82 3PX -0.02403 -0.03072 -0.01624 0.00000 -0.00026 83 3PY -0.00388 0.00864 -0.01045 0.00000 0.00005 84 3PZ 0.00000 -0.00000 0.00000 -0.02145 -0.00000 85 4XX 0.00083 0.00112 0.00067 -0.00000 -0.00004 86 4YY -0.00269 -0.00175 -0.00057 0.00000 0.00001 87 4ZZ -0.00027 -0.00045 -0.00088 0.00000 0.00001 88 4XY 0.00150 0.00099 -0.00139 0.00000 -0.00002 89 4XZ -0.00000 -0.00000 0.00000 -0.00141 0.00000 90 4YZ 0.00000 0.00000 0.00000 -0.00148 -0.00000 91 7 C 1S 0.00731 0.00199 0.00068 -0.00000 -0.00010 92 2S -0.00989 0.00047 -0.00387 0.00000 0.00025 93 2PX 0.07397 0.04501 0.07583 -0.00000 -0.00100 94 2PY -0.04487 -0.02399 -0.01724 0.00000 0.00120 95 2PZ 0.00000 0.00000 0.00000 0.02265 -0.00000 96 3S -0.01557 -0.03841 -0.01890 0.00000 -0.00136 97 3PX 0.02103 -0.00941 0.02969 -0.00000 0.00048 98 3PY -0.01549 -0.01560 -0.00450 -0.00000 -0.00002 99 3PZ 0.00000 0.00000 -0.00000 0.01398 0.00000 100 4XX 0.00433 0.00268 0.00055 -0.00000 0.00021 101 4YY -0.00459 -0.00318 -0.00100 -0.00000 -0.00003 102 4ZZ 0.00070 0.00009 0.00053 -0.00000 -0.00007 103 4XY 0.00162 0.00063 0.00021 0.00000 -0.00027 104 4XZ -0.00000 -0.00000 0.00000 -0.00329 0.00000 105 4YZ 0.00000 0.00000 -0.00000 0.00212 0.00000 106 8 H 1S -0.00275 0.00069 -0.01081 0.00000 -0.00037 107 2S -0.00625 -0.00249 -0.00151 0.00000 -0.00083 108 9 H 1S -0.02410 -0.01759 0.00868 -0.00000 0.00005 109 2S -0.02631 -0.01504 0.00354 -0.00000 0.00000 110 10 H 1S 0.00899 0.00537 0.00000 0.00000 -0.00017 111 2S 0.01854 0.00788 -0.00000 0.00000 -0.00006 112 11 H 1S -0.02410 -0.01759 -0.00868 0.00000 0.00005 113 2S -0.02631 -0.01504 -0.00354 0.00000 0.00000 114 12 H 1S -0.00275 0.00069 0.01081 -0.00000 -0.00037 115 2S -0.00625 -0.00249 0.00151 -0.00000 -0.00083 116 13 C 1S 0.00750 0.00037 -0.00064 0.00000 0.00049 117 2S -0.00763 -0.00457 0.00791 -0.00000 -0.00227 118 2PX 0.08069 0.04001 0.07930 -0.00000 -0.01004 119 2PY -0.13976 0.07930 -0.05156 -0.00000 0.00186 120 2PZ 0.00000 -0.00000 -0.00000 0.09486 -0.00000 121 3S -0.03528 0.01374 -0.02379 0.00000 -0.00450 122 3PX 0.00511 0.00868 -0.00840 0.00000 -0.00135 123 3PY -0.00885 -0.00840 0.01838 -0.00000 0.00203 124 3PZ 0.00000 0.00000 -0.00000 0.05443 -0.00000 125 4XX -0.00175 0.00150 -0.00085 0.00000 0.00064 126 4YY 0.00799 -0.00163 0.00108 0.00000 -0.00058 127 4ZZ -0.00135 0.00017 -0.00029 0.00000 0.00011 128 4XY -0.00974 0.00111 -0.00309 0.00000 -0.00006 129 4XZ 0.00000 -0.00000 0.00000 0.00198 0.00000 130 4YZ -0.00000 0.00000 0.00000 -0.00342 0.00000 131 14 C 1S 0.00731 -0.00158 0.00138 -0.00000 0.00093 132 2S -0.00989 0.00312 0.00234 -0.00000 -0.00168 133 2PX 0.00187 0.02078 0.01000 -0.00000 0.00216 134 2PY 0.08650 -0.08983 0.00700 -0.00000 0.00347 135 2PZ -0.00000 0.00000 -0.00000 0.02265 -0.00000 136 3S -0.01557 0.03558 -0.02381 0.00000 -0.00278 137 3PX 0.00290 0.00038 0.02125 -0.00000 0.00041 138 3PY 0.02596 -0.02404 -0.01429 0.00000 0.00188 139 3PZ -0.00000 0.00000 0.00000 0.01398 -0.00000 140 4XX -0.00114 0.00102 -0.00085 0.00000 0.00037 141 4YY 0.00088 -0.00037 0.00064 0.00000 -0.00028 142 4ZZ 0.00070 -0.00051 -0.00019 0.00000 0.00006 143 4XY -0.00527 0.00239 -0.00237 0.00000 0.00011 144 4XZ 0.00000 -0.00000 0.00000 -0.00019 -0.00000 145 4YZ -0.00000 0.00000 0.00000 -0.00391 0.00000 146 15 C 1S -0.00840 0.01306 0.00066 0.00000 -0.00002 147 2S 0.01500 -0.01952 -0.00312 0.00000 0.00003 148 2PX 0.01917 -0.05510 -0.01782 0.00000 -0.00084 149 2PY -0.06176 0.05154 -0.02091 0.00000 -0.00025 150 2PZ 0.00000 -0.00000 0.00000 -0.02754 0.00000 151 3S 0.00338 -0.03155 0.02412 -0.00000 -0.00033 152 3PX 0.01538 -0.01881 -0.00176 0.00000 -0.00060 153 3PY -0.01887 0.02312 -0.02236 0.00000 0.00012 154 3PZ 0.00000 -0.00000 0.00000 -0.02145 -0.00000 155 4XX -0.00069 0.00127 0.00040 -0.00000 0.00011 156 4YY -0.00117 -0.00104 -0.00099 0.00000 -0.00013 157 4ZZ -0.00027 0.00099 0.00005 0.00000 -0.00001 158 4XY -0.00250 0.00090 -0.00171 0.00000 -0.00009 159 4XZ 0.00000 -0.00000 0.00000 0.00199 0.00000 160 4YZ 0.00000 0.00000 0.00000 -0.00048 0.00000 161 16 C 1S 0.00352 -0.00152 0.00264 -0.00000 -0.00004 162 2S -0.00627 0.00186 -0.00321 0.00000 0.00016 163 2PX -0.00162 0.04241 0.02365 -0.00000 0.00089 164 2PY 0.00280 0.02365 0.01510 0.00000 0.00030 165 2PZ -0.00000 -0.00000 0.00000 -0.04647 -0.00000 166 3S 0.01494 0.00484 -0.00838 0.00000 -0.00012 167 3PX 0.00512 0.01943 0.00564 -0.00000 0.00018 168 3PY -0.00888 0.00564 0.01291 0.00000 0.00028 169 3PZ 0.00000 -0.00000 0.00000 -0.02867 -0.00000 170 4XX -0.00082 0.00057 -0.00060 0.00000 0.00006 171 4YY 0.00219 -0.00086 0.00109 -0.00000 -0.00011 172 4ZZ -0.00022 -0.00007 0.00012 -0.00000 0.00001 173 4XY -0.00301 0.00098 -0.00195 0.00000 0.00001 174 4XZ 0.00000 -0.00000 0.00000 -0.00058 -0.00000 175 4YZ -0.00000 0.00000 -0.00000 0.00101 0.00000 176 17 C 1S -0.00840 -0.00710 -0.01098 0.00000 0.00051 177 2S 0.01500 0.01246 0.01534 -0.00000 -0.00123 178 2PX 0.04390 -0.01486 0.02831 -0.00000 -0.00176 179 2PY -0.04748 -0.04106 -0.06116 0.00000 0.00155 180 2PZ 0.00000 0.00000 0.00000 -0.02754 -0.00000 181 3S 0.00338 -0.00511 0.03938 -0.00000 -0.00072 182 3PX 0.00865 -0.01222 0.01932 -0.00000 -0.00051 183 3PY -0.02275 -0.00556 -0.02895 0.00000 0.00054 184 3PZ 0.00000 0.00000 0.00000 -0.02145 -0.00000 185 4XX -0.00293 0.00156 -0.00115 0.00000 0.00023 186 4YY 0.00107 -0.00116 0.00065 0.00000 -0.00008 187 4ZZ -0.00027 -0.00054 -0.00083 0.00000 0.00003 188 4XY -0.00101 -0.00066 -0.00147 0.00000 -0.00006 189 4XZ 0.00000 0.00000 0.00000 -0.00058 0.00000 190 4YZ -0.00000 0.00000 0.00000 -0.00196 0.00000 191 18 C 1S 0.00731 -0.00041 0.00206 -0.00000 -0.00183 192 2S -0.00989 -0.00359 -0.00153 0.00000 0.00374 193 2PX -0.07585 -0.02412 -0.06390 0.00000 0.00710 194 2PY 0.04163 0.03592 0.05190 -0.00000 -0.00235 195 2PZ -0.00000 -0.00000 -0.00000 0.02265 0.00000 196 3S -0.01557 0.00283 -0.04271 0.00000 0.00595 197 3PX -0.02393 -0.01183 -0.01699 0.00000 0.00356 198 3PY 0.01047 0.02829 -0.00208 -0.00000 -0.00175 199 3PZ -0.00000 -0.00000 -0.00000 0.01398 0.00000 200 4XX -0.00358 0.00043 -0.00228 0.00000 0.00010 201 4YY 0.00331 -0.00057 0.00162 0.00000 -0.00024 202 4ZZ 0.00070 0.00042 0.00034 0.00000 -0.00014 203 4XY -0.00365 0.00072 -0.00260 0.00000 0.00002 204 4XZ 0.00000 -0.00000 0.00000 0.00348 -0.00000 205 4YZ -0.00000 0.00000 -0.00000 -0.00179 0.00000 206 19 H 1S -0.00275 -0.00971 -0.00481 0.00000 -0.00029 207 2S -0.00625 -0.00006 -0.00291 0.00000 -0.00133 208 20 H 1S -0.02410 0.01631 -0.01089 0.00000 0.00107 209 2S -0.02631 0.01059 -0.01125 0.00000 0.00162 210 21 H 1S 0.00899 -0.00269 0.00465 -0.00000 -0.00025 211 2S 0.01854 -0.00394 0.00682 -0.00000 -0.00048 212 22 H 1S -0.02410 0.00128 -0.01957 0.00000 -0.00067 213 2S -0.02631 0.00445 -0.01480 0.00000 -0.00082 214 23 H 1S -0.00275 0.00902 0.00601 -0.00000 0.00158 215 2S -0.00625 0.00255 -0.00140 0.00000 0.00276 216 24 C 1S 0.00750 0.00037 0.00064 -0.00000 0.00049 217 2S -0.00763 -0.00457 -0.00791 0.00000 -0.00226 218 2PX 0.08069 0.04001 -0.07930 0.00000 -0.01004 219 2PY 0.13976 -0.07930 -0.05156 -0.00000 -0.00186 220 2PZ -0.00000 0.00000 -0.00000 0.09486 0.00000 221 3S -0.03528 0.01374 0.02379 -0.00000 -0.00450 222 3PX 0.00511 0.00868 0.00840 -0.00000 -0.00135 223 3PY 0.00885 0.00840 0.01838 -0.00000 -0.00203 224 3PZ -0.00000 -0.00000 -0.00000 0.05443 0.00000 225 4XX -0.00175 0.00150 0.00085 -0.00000 0.00064 226 4YY 0.00799 -0.00163 -0.00108 -0.00000 -0.00058 227 4ZZ -0.00135 0.00017 0.00029 -0.00000 0.00011 228 4XY 0.00974 -0.00111 -0.00309 0.00000 0.00006 229 4XZ -0.00000 0.00000 0.00000 0.00198 -0.00000 230 4YZ -0.00000 0.00000 -0.00000 0.00342 0.00000 231 25 C 1S 0.00731 -0.00041 -0.00206 0.00000 -0.00183 232 2S -0.00989 -0.00359 0.00153 -0.00000 0.00374 233 2PX -0.07585 -0.02412 0.06390 -0.00000 0.00710 234 2PY -0.04162 -0.03592 0.05190 -0.00000 0.00235 235 2PZ 0.00000 0.00000 -0.00000 0.02265 -0.00000 236 3S -0.01557 0.00283 0.04271 -0.00000 0.00595 237 3PX -0.02393 -0.01183 0.01699 -0.00000 0.00356 238 3PY -0.01047 -0.02829 -0.00208 -0.00000 0.00175 239 3PZ 0.00000 0.00000 -0.00000 0.01398 -0.00000 240 4XX -0.00358 0.00043 0.00228 -0.00000 0.00010 241 4YY 0.00331 -0.00057 -0.00162 -0.00000 -0.00024 242 4ZZ 0.00070 0.00042 -0.00034 -0.00000 -0.00014 243 4XY 0.00365 -0.00072 -0.00260 0.00000 -0.00002 244 4XZ -0.00000 0.00000 0.00000 0.00348 0.00000 245 4YZ -0.00000 0.00000 0.00000 0.00179 0.00000 246 26 C 1S -0.00840 -0.00710 0.01098 -0.00000 0.00051 247 2S 0.01500 0.01246 -0.01534 0.00000 -0.00123 248 2PX 0.04390 -0.01486 -0.02831 0.00000 -0.00176 249 2PY 0.04748 0.04106 -0.06116 0.00000 -0.00155 250 2PZ -0.00000 -0.00000 0.00000 -0.02754 0.00000 251 3S 0.00338 -0.00511 -0.03938 0.00000 -0.00072 252 3PX 0.00865 -0.01222 -0.01932 0.00000 -0.00051 253 3PY 0.02275 0.00556 -0.02895 0.00000 -0.00054 254 3PZ -0.00000 -0.00000 0.00000 -0.02145 0.00000 255 4XX -0.00293 0.00156 0.00115 -0.00000 0.00023 256 4YY 0.00107 -0.00116 -0.00065 -0.00000 -0.00008 257 4ZZ -0.00027 -0.00054 0.00083 -0.00000 0.00003 258 4XY 0.00101 0.00066 -0.00147 0.00000 0.00006 259 4XZ -0.00000 -0.00000 0.00000 -0.00058 -0.00000 260 4YZ -0.00000 0.00000 -0.00000 0.00196 0.00000 261 27 C 1S 0.00352 -0.00152 -0.00264 0.00000 -0.00004 262 2S -0.00627 0.00186 0.00321 -0.00000 0.00016 263 2PX -0.00162 0.04241 -0.02365 0.00000 0.00089 264 2PY -0.00280 -0.02365 0.01510 0.00000 -0.00030 265 2PZ 0.00000 0.00000 0.00000 -0.04647 0.00000 266 3S 0.01494 0.00484 0.00838 -0.00000 -0.00012 267 3PX 0.00512 0.01943 -0.00564 0.00000 0.00018 268 3PY 0.00888 -0.00564 0.01291 0.00000 -0.00028 269 3PZ -0.00000 0.00000 0.00000 -0.02867 0.00000 270 4XX -0.00082 0.00057 0.00060 -0.00000 0.00006 271 4YY 0.00219 -0.00086 -0.00109 0.00000 -0.00011 272 4ZZ -0.00022 -0.00007 -0.00012 0.00000 0.00001 273 4XY 0.00301 -0.00098 -0.00195 0.00000 -0.00001 274 4XZ -0.00000 0.00000 0.00000 -0.00058 0.00000 275 4YZ -0.00000 0.00000 0.00000 -0.00101 0.00000 276 28 C 1S -0.00840 0.01306 -0.00066 0.00000 -0.00002 277 2S 0.01500 -0.01952 0.00312 -0.00000 0.00003 278 2PX 0.01917 -0.05510 0.01782 -0.00000 -0.00084 279 2PY 0.06176 -0.05154 -0.02091 0.00000 0.00025 280 2PZ -0.00000 0.00000 0.00000 -0.02754 -0.00000 281 3S 0.00338 -0.03155 -0.02412 0.00000 -0.00033 282 3PX 0.01538 -0.01881 0.00176 -0.00000 -0.00060 283 3PY 0.01887 -0.02312 -0.02236 0.00000 -0.00012 284 3PZ -0.00000 0.00000 0.00000 -0.02145 0.00000 285 4XX -0.00069 0.00127 -0.00040 0.00000 0.00011 286 4YY -0.00117 -0.00104 0.00099 -0.00000 -0.00013 287 4ZZ -0.00027 0.00099 -0.00005 -0.00000 -0.00001 288 4XY 0.00250 -0.00090 -0.00171 0.00000 0.00009 289 4XZ -0.00000 0.00000 0.00000 0.00199 -0.00000 290 4YZ 0.00000 0.00000 -0.00000 0.00048 0.00000 291 29 C 1S 0.00731 -0.00158 -0.00138 0.00000 0.00093 292 2S -0.00989 0.00312 -0.00234 0.00000 -0.00168 293 2PX 0.00187 0.02078 -0.00999 0.00000 0.00216 294 2PY -0.08650 0.08983 0.00700 -0.00000 -0.00347 295 2PZ 0.00000 -0.00000 -0.00000 0.02265 0.00000 296 3S -0.01557 0.03558 0.02381 -0.00000 -0.00278 297 3PX 0.00290 0.00038 -0.02125 0.00000 0.00041 298 3PY -0.02596 0.02404 -0.01429 0.00000 -0.00188 299 3PZ 0.00000 -0.00000 0.00000 0.01398 0.00000 300 4XX -0.00114 0.00102 0.00085 -0.00000 0.00037 301 4YY 0.00088 -0.00037 -0.00064 -0.00000 -0.00028 302 4ZZ 0.00070 -0.00051 0.00019 -0.00000 0.00006 303 4XY 0.00527 -0.00239 -0.00237 0.00000 -0.00011 304 4XZ -0.00000 0.00000 0.00000 -0.00019 0.00000 305 4YZ -0.00000 0.00000 -0.00000 0.00391 0.00000 306 30 H 1S -0.00275 0.00902 -0.00601 0.00000 0.00158 307 2S -0.00625 0.00255 0.00140 -0.00000 0.00276 308 31 H 1S -0.02410 0.00128 0.01957 -0.00000 -0.00067 309 2S -0.02631 0.00445 0.01480 -0.00000 -0.00082 310 32 H 1S 0.00899 -0.00269 -0.00465 0.00000 -0.00025 311 2S 0.01854 -0.00394 -0.00682 0.00000 -0.00049 312 33 H 1S -0.02410 0.01631 0.01089 -0.00000 0.00107 313 2S -0.02631 0.01059 0.01125 -0.00000 0.00162 314 34 H 1S -0.00275 -0.00971 0.00481 -0.00000 -0.00029 315 2S -0.00625 -0.00006 0.00291 -0.00000 -0.00133 11 12 13 14 15 11 4YY 0.00118 12 4ZZ 0.00014 0.00085 13 4XY -0.00000 0.00000 0.00126 14 4XZ -0.00000 0.00000 -0.00000 0.00074 15 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00074 16 2 C 1S 0.00295 0.00139 0.00000 -0.00000 -0.00000 17 2S -0.00684 -0.00343 -0.00000 0.00000 0.00000 18 2PX 0.01193 0.00597 0.00000 -0.00000 -0.00000 19 2PY -0.00000 0.00000 0.01035 -0.00000 0.00000 20 2PZ 0.00000 0.00000 -0.00000 0.01360 -0.00000 21 3S -0.01061 -0.00156 -0.00000 0.00000 0.00000 22 3PX 0.00495 0.00100 -0.00000 -0.00000 -0.00000 23 3PY -0.00000 -0.00000 0.00020 -0.00000 0.00000 24 3PZ 0.00000 0.00000 -0.00000 0.00915 0.00000 25 4XX -0.00040 -0.00048 0.00000 0.00000 0.00000 26 4YY 0.00051 0.00026 -0.00000 -0.00000 -0.00000 27 4ZZ 0.00030 0.00021 0.00000 -0.00000 -0.00000 28 4XY -0.00000 -0.00000 0.00085 -0.00000 0.00000 29 4XZ -0.00000 -0.00000 -0.00000 0.00031 0.00000 30 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00012 31 3 C 1S -0.00057 -0.00023 -0.00184 0.00000 0.00000 32 2S 0.00129 0.00043 0.00361 -0.00000 -0.00000 33 2PX -0.00211 -0.00047 -0.00500 0.00000 0.00000 34 2PY -0.00052 -0.00055 -0.00572 0.00000 0.00000 35 2PZ -0.00000 -0.00000 0.00000 0.00761 0.00087 36 3S 0.00257 0.00071 0.00581 -0.00000 -0.00000 37 3PX -0.00140 -0.00018 -0.00314 0.00000 0.00000 38 3PY -0.00062 -0.00019 -0.00233 -0.00000 0.00000 39 3PZ -0.00000 -0.00000 -0.00000 0.00487 0.00111 40 4XX -0.00031 -0.00013 0.00002 -0.00000 0.00000 41 4YY 0.00022 0.00007 -0.00017 0.00000 -0.00000 42 4ZZ -0.00003 -0.00001 -0.00013 0.00000 0.00000 43 4XY -0.00017 -0.00005 0.00029 -0.00000 0.00000 44 4XZ 0.00000 0.00000 -0.00000 -0.00033 -0.00001 45 4YZ -0.00000 -0.00000 0.00000 -0.00040 0.00002 46 4 C 1S 0.00036 0.00006 0.00036 -0.00000 -0.00000 47 2S -0.00083 -0.00022 -0.00084 0.00000 0.00000 48 2PX 0.00161 0.00041 0.00135 -0.00000 -0.00000 49 2PY -0.00008 0.00022 0.00107 -0.00000 -0.00000 50 2PZ -0.00000 -0.00000 0.00000 -0.00159 0.00062 51 3S -0.00087 -0.00022 -0.00026 0.00000 0.00000 52 3PX 0.00084 0.00027 0.00021 -0.00000 -0.00000 53 3PY -0.00017 -0.00012 0.00043 0.00000 0.00000 54 3PZ 0.00000 -0.00000 0.00000 -0.00152 0.00017 55 4XX 0.00004 0.00003 0.00003 -0.00000 -0.00000 56 4YY 0.00006 0.00001 0.00008 -0.00000 -0.00000 57 4ZZ 0.00001 -0.00000 0.00002 -0.00000 -0.00000 58 4XY 0.00001 0.00003 0.00023 0.00000 -0.00000 59 4XZ 0.00000 -0.00000 0.00000 -0.00040 -0.00002 60 4YZ -0.00000 0.00000 -0.00000 0.00017 0.00000 61 5 C 1S -0.00010 0.00003 0.00000 0.00000 0.00000 62 2S 0.00026 -0.00007 -0.00000 -0.00000 -0.00000 63 2PX -0.00016 0.00030 0.00000 -0.00000 -0.00000 64 2PY 0.00000 0.00000 -0.00123 0.00000 -0.00000 65 2PZ -0.00000 -0.00000 0.00000 -0.00607 0.00000 66 3S -0.00005 -0.00038 -0.00000 -0.00000 0.00000 67 3PX 0.00019 0.00023 0.00000 0.00000 -0.00000 68 3PY -0.00000 0.00000 -0.00039 0.00000 -0.00000 69 3PZ 0.00000 -0.00000 0.00000 -0.00453 0.00000 70 4XX -0.00010 -0.00002 0.00000 -0.00000 0.00000 71 4YY 0.00004 0.00001 -0.00000 0.00000 -0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 73 4XY -0.00000 -0.00000 0.00011 -0.00000 0.00000 74 4XZ -0.00000 0.00000 -0.00000 0.00004 0.00000 75 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00004 76 6 C 1S 0.00036 0.00006 -0.00036 0.00000 -0.00000 77 2S -0.00083 -0.00022 0.00084 -0.00000 0.00000 78 2PX 0.00161 0.00041 -0.00135 0.00000 -0.00000 79 2PY 0.00008 -0.00022 0.00107 -0.00000 0.00000 80 2PZ 0.00000 0.00000 -0.00000 -0.00159 -0.00062 81 3S -0.00087 -0.00022 0.00026 -0.00000 0.00000 82 3PX 0.00084 0.00027 -0.00021 0.00000 -0.00000 83 3PY 0.00017 0.00012 0.00043 0.00000 -0.00000 84 3PZ 0.00000 0.00000 0.00000 -0.00152 -0.00017 85 4XX 0.00004 0.00003 -0.00003 0.00000 -0.00000 86 4YY 0.00006 0.00001 -0.00008 0.00000 -0.00000 87 4ZZ 0.00001 -0.00000 -0.00002 0.00000 -0.00000 88 4XY -0.00001 -0.00003 0.00023 0.00000 0.00000 89 4XZ -0.00000 -0.00000 0.00000 -0.00040 0.00002 90 4YZ -0.00000 -0.00000 0.00000 -0.00017 0.00000 91 7 C 1S -0.00057 -0.00023 0.00184 -0.00000 0.00000 92 2S 0.00129 0.00043 -0.00361 0.00000 -0.00000 93 2PX -0.00211 -0.00047 0.00500 -0.00000 0.00000 94 2PY 0.00052 0.00055 -0.00572 0.00000 -0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00761 -0.00087 96 3S 0.00257 0.00071 -0.00581 0.00000 -0.00000 97 3PX -0.00140 -0.00018 0.00314 -0.00000 0.00000 98 3PY 0.00062 0.00019 -0.00233 -0.00000 -0.00000 99 3PZ 0.00000 0.00000 -0.00000 0.00487 -0.00111 100 4XX -0.00031 -0.00013 -0.00002 0.00000 0.00000 101 4YY 0.00022 0.00007 0.00017 -0.00000 -0.00000 102 4ZZ -0.00003 -0.00001 0.00013 -0.00000 0.00000 103 4XY 0.00017 0.00005 0.00029 -0.00000 -0.00000 104 4XZ -0.00000 -0.00000 -0.00000 -0.00033 0.00001 105 4YZ -0.00000 -0.00000 -0.00000 0.00040 0.00002 106 8 H 1S 0.00098 0.00016 0.00124 -0.00000 -0.00000 107 2S 0.00123 0.00014 0.00273 -0.00000 -0.00000 108 9 H 1S 0.00025 0.00021 -0.00116 0.00000 -0.00000 109 2S 0.00053 0.00031 -0.00163 0.00000 -0.00000 110 10 H 1S -0.00028 0.00008 0.00000 -0.00000 0.00000 111 2S -0.00063 -0.00003 0.00000 -0.00000 0.00000 112 11 H 1S 0.00025 0.00021 0.00116 -0.00000 -0.00000 113 2S 0.00053 0.00031 0.00163 -0.00000 -0.00000 114 12 H 1S 0.00098 0.00016 -0.00124 0.00000 -0.00000 115 2S 0.00123 0.00014 -0.00273 0.00000 -0.00000 116 13 C 1S -0.00442 0.00139 0.00491 -0.00000 0.00000 117 2S 0.00689 -0.00343 -0.00916 0.00000 -0.00000 118 2PX 0.00871 -0.00299 -0.00082 0.00000 -0.00000 119 2PY 0.00044 0.00517 0.01178 -0.00000 -0.00000 120 2PZ -0.00000 -0.00000 -0.00000 -0.00680 0.01177 121 3S 0.00771 -0.00156 -0.01221 0.00000 -0.00000 122 3PX 0.00143 -0.00050 -0.00243 0.00000 -0.00000 123 3PY -0.00218 0.00087 0.00442 -0.00000 -0.00000 124 3PZ -0.00000 -0.00000 -0.00000 -0.00458 0.00793 125 4XX -0.00056 0.00007 -0.00008 0.00000 0.00000 126 4YY 0.00053 -0.00029 0.00017 -0.00000 -0.00000 127 4ZZ -0.00028 0.00021 0.00038 -0.00000 -0.00000 128 4XY 0.00019 0.00037 0.00061 -0.00000 -0.00000 129 4XZ -0.00000 -0.00000 -0.00000 0.00017 -0.00008 130 4YZ -0.00000 -0.00000 -0.00000 -0.00008 0.00026 131 14 C 1S -0.00159 -0.00023 -0.00116 0.00000 0.00000 132 2S 0.00322 0.00043 0.00232 -0.00000 -0.00000 133 2PX -0.00210 -0.00024 -0.00065 0.00000 0.00000 134 2PY -0.00702 -0.00069 -0.00391 0.00000 0.00000 135 2PZ -0.00000 -0.00000 0.00000 -0.00305 0.00702 136 3S 0.00398 0.00071 0.00487 -0.00000 -0.00000 137 3PX -0.00046 -0.00008 -0.00003 0.00000 0.00000 138 3PY -0.00298 -0.00025 -0.00292 0.00000 0.00000 139 3PZ -0.00000 -0.00000 0.00000 -0.00147 0.00477 140 4XX -0.00033 0.00005 0.00002 -0.00000 0.00000 141 4YY 0.00033 -0.00012 -0.00023 -0.00000 0.00000 142 4ZZ -0.00016 -0.00001 -0.00005 -0.00000 0.00000 143 4XY 0.00010 0.00008 0.00011 -0.00000 -0.00000 144 4XZ 0.00000 0.00000 -0.00000 0.00011 -0.00015 145 4YZ 0.00000 0.00000 0.00000 0.00024 -0.00042 146 15 C 1S 0.00029 0.00006 0.00040 -0.00000 -0.00000 147 2S -0.00077 -0.00022 -0.00088 0.00000 0.00000 148 2PX -0.00001 -0.00001 -0.00032 0.00000 0.00000 149 2PY 0.00163 0.00047 0.00152 -0.00000 -0.00000 150 2PZ -0.00000 0.00000 -0.00000 0.00133 -0.00107 151 3S -0.00003 -0.00022 -0.00082 0.00000 0.00000 152 3PX 0.00012 -0.00024 -0.00019 0.00000 0.00000 153 3PY 0.00027 0.00017 0.00064 -0.00000 0.00000 154 3PZ 0.00000 0.00000 -0.00000 0.00091 -0.00123 155 4XX -0.00008 -0.00000 -0.00002 0.00000 0.00000 156 4YY 0.00017 0.00004 0.00014 -0.00000 0.00000 157 4ZZ 0.00003 -0.00000 0.00001 -0.00000 0.00000 158 4XY 0.00014 0.00000 0.00006 0.00000 -0.00000 159 4XZ -0.00000 -0.00000 0.00000 -0.00016 0.00031 160 4YZ 0.00000 0.00000 -0.00000 0.00012 -0.00024 161 16 C 1S 0.00008 0.00003 -0.00012 0.00000 -0.00000 162 2S -0.00004 -0.00007 0.00020 -0.00000 0.00000 163 2PX -0.00068 -0.00015 -0.00056 0.00000 0.00000 164 2PY -0.00067 0.00026 -0.00026 -0.00000 0.00000 165 2PZ 0.00000 0.00000 -0.00000 0.00303 -0.00526 166 3S -0.00026 -0.00038 0.00014 -0.00000 0.00000 167 3PX -0.00029 -0.00011 -0.00020 0.00000 0.00000 168 3PY -0.00007 0.00020 -0.00004 -0.00000 0.00000 169 3PZ 0.00000 0.00000 -0.00000 0.00227 -0.00392 170 4XX -0.00006 0.00000 -0.00004 0.00000 0.00000 171 4YY 0.00004 -0.00001 0.00001 -0.00000 -0.00000 172 4ZZ 0.00001 0.00000 -0.00000 0.00000 -0.00000 173 4XY 0.00006 0.00001 0.00006 -0.00000 -0.00000 174 4XZ -0.00000 -0.00000 -0.00000 0.00004 0.00000 175 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00004 176 17 C 1S -0.00025 0.00006 0.00005 -0.00000 0.00000 177 2S 0.00049 -0.00022 -0.00004 -0.00000 -0.00000 178 2PX 0.00099 -0.00040 0.00045 -0.00000 -0.00000 179 2PY -0.00012 0.00024 0.00041 -0.00000 0.00000 180 2PZ 0.00000 0.00000 -0.00000 0.00026 -0.00169 181 3S 0.00036 -0.00022 -0.00056 0.00000 -0.00000 182 3PX 0.00042 -0.00003 0.00001 -0.00000 -0.00000 183 3PY 0.00008 0.00030 0.00052 -0.00000 0.00000 184 3PZ 0.00000 0.00000 -0.00000 0.00061 -0.00140 185 4XX -0.00016 0.00003 -0.00010 0.00000 0.00000 186 4YY 0.00008 0.00000 0.00011 -0.00000 0.00000 187 4ZZ -0.00001 -0.00000 -0.00001 -0.00000 0.00000 188 4XY 0.00008 -0.00002 0.00004 -0.00000 -0.00000 189 4XZ -0.00000 -0.00000 -0.00000 -0.00004 0.00005 190 4YZ 0.00000 0.00000 -0.00000 0.00023 -0.00036 191 18 C 1S 0.00117 -0.00023 0.00068 -0.00000 -0.00000 192 2S -0.00220 0.00043 -0.00129 0.00000 0.00000 193 2PX -0.00406 0.00072 -0.00375 0.00000 0.00000 194 2PY 0.00052 -0.00013 0.00008 0.00000 -0.00000 195 2PZ -0.00000 -0.00000 0.00000 -0.00455 0.00616 196 3S -0.00474 0.00071 -0.00094 0.00000 0.00000 197 3PX -0.00258 0.00026 -0.00105 0.00000 0.00000 198 3PY 0.00124 -0.00006 0.00012 0.00000 -0.00000 199 3PZ -0.00000 -0.00000 0.00000 -0.00340 0.00366 200 4XX 0.00009 -0.00002 -0.00018 0.00000 -0.00000 201 4YY 0.00013 -0.00005 0.00012 -0.00000 -0.00000 202 4ZZ 0.00004 -0.00001 0.00008 -0.00000 0.00000 203 4XY 0.00008 0.00013 0.00042 -0.00000 -0.00000 204 4XZ -0.00000 -0.00000 -0.00000 -0.00024 0.00045 205 4YZ -0.00000 0.00000 -0.00000 0.00006 -0.00007 206 19 H 1S 0.00090 0.00016 0.00130 -0.00000 -0.00000 207 2S 0.00173 0.00014 0.00240 -0.00000 -0.00000 208 20 H 1S -0.00077 0.00021 -0.00048 0.00000 0.00000 209 2S -0.00109 0.00031 -0.00055 0.00000 0.00000 210 21 H 1S -0.00020 0.00008 -0.00005 0.00000 0.00000 211 2S -0.00020 -0.00003 -0.00028 0.00000 0.00000 212 22 H 1S 0.00097 0.00021 0.00068 -0.00000 -0.00000 213 2S 0.00136 0.00031 0.00108 -0.00000 -0.00000 214 23 H 1S -0.00096 0.00016 0.00006 0.00000 0.00000 215 2S -0.00237 0.00014 -0.00033 0.00000 0.00000 216 24 C 1S -0.00442 0.00139 -0.00491 0.00000 0.00000 217 2S 0.00689 -0.00343 0.00916 -0.00000 -0.00000 218 2PX 0.00871 -0.00299 0.00082 -0.00000 -0.00000 219 2PY -0.00044 -0.00517 0.01178 -0.00000 0.00000 220 2PZ 0.00000 0.00000 -0.00000 -0.00680 -0.01177 221 3S 0.00771 -0.00156 0.01221 -0.00000 -0.00000 222 3PX 0.00143 -0.00050 0.00243 -0.00000 -0.00000 223 3PY 0.00218 -0.00087 0.00442 -0.00000 0.00000 224 3PZ 0.00000 0.00000 -0.00000 -0.00458 -0.00793 225 4XX -0.00056 0.00007 0.00008 -0.00000 0.00000 226 4YY 0.00053 -0.00029 -0.00017 0.00000 -0.00000 227 4ZZ -0.00028 0.00021 -0.00038 0.00000 -0.00000 228 4XY -0.00019 -0.00037 0.00061 -0.00000 0.00000 229 4XZ 0.00000 0.00000 -0.00000 0.00017 0.00008 230 4YZ -0.00000 -0.00000 0.00000 0.00008 0.00026 231 25 C 1S 0.00117 -0.00023 -0.00068 0.00000 -0.00000 232 2S -0.00220 0.00043 0.00129 -0.00000 0.00000 233 2PX -0.00406 0.00072 0.00375 -0.00000 0.00000 234 2PY -0.00052 0.00013 0.00008 0.00000 0.00000 235 2PZ 0.00000 0.00000 0.00000 -0.00455 -0.00616 236 3S -0.00474 0.00071 0.00094 -0.00000 0.00000 237 3PX -0.00258 0.00026 0.00105 -0.00000 0.00000 238 3PY -0.00124 0.00006 0.00012 0.00000 0.00000 239 3PZ 0.00000 0.00000 0.00000 -0.00340 -0.00366 240 4XX 0.00009 -0.00002 0.00018 -0.00000 -0.00000 241 4YY 0.00013 -0.00005 -0.00012 0.00000 -0.00000 242 4ZZ 0.00004 -0.00001 -0.00008 0.00000 0.00000 243 4XY -0.00008 -0.00013 0.00042 -0.00000 0.00000 244 4XZ 0.00000 0.00000 -0.00000 -0.00024 -0.00045 245 4YZ -0.00000 0.00000 0.00000 -0.00006 -0.00007 246 26 C 1S -0.00025 0.00006 -0.00005 0.00000 0.00000 247 2S 0.00049 -0.00022 0.00004 -0.00000 -0.00000 248 2PX 0.00099 -0.00040 -0.00045 0.00000 -0.00000 249 2PY 0.00012 -0.00024 0.00041 -0.00000 -0.00000 250 2PZ -0.00000 -0.00000 -0.00000 0.00026 0.00169 251 3S 0.00036 -0.00022 0.00056 -0.00000 -0.00000 252 3PX 0.00042 -0.00003 -0.00001 -0.00000 -0.00000 253 3PY -0.00008 -0.00030 0.00052 -0.00000 -0.00000 254 3PZ -0.00000 -0.00000 -0.00000 0.00061 0.00140 255 4XX -0.00016 0.00003 0.00010 -0.00000 0.00000 256 4YY 0.00008 0.00000 -0.00011 0.00000 0.00000 257 4ZZ -0.00001 -0.00000 0.00001 0.00000 0.00000 258 4XY -0.00008 0.00002 0.00004 -0.00000 0.00000 259 4XZ 0.00000 0.00000 -0.00000 -0.00004 -0.00005 260 4YZ 0.00000 0.00000 0.00000 -0.00023 -0.00036 261 27 C 1S 0.00008 0.00003 0.00012 -0.00000 -0.00000 262 2S -0.00004 -0.00007 -0.00020 0.00000 0.00000 263 2PX -0.00068 -0.00015 0.00056 -0.00000 0.00000 264 2PY 0.00067 -0.00026 -0.00026 -0.00000 -0.00000 265 2PZ -0.00000 -0.00000 -0.00000 0.00303 0.00526 266 3S -0.00026 -0.00038 -0.00014 0.00000 0.00000 267 3PX -0.00029 -0.00011 0.00020 -0.00000 0.00000 268 3PY 0.00007 -0.00020 -0.00004 -0.00000 -0.00000 269 3PZ -0.00000 -0.00000 -0.00000 0.00227 0.00392 270 4XX -0.00006 0.00000 0.00004 -0.00000 0.00000 271 4YY 0.00004 -0.00001 -0.00001 0.00000 -0.00000 272 4ZZ 0.00001 0.00000 0.00000 0.00000 -0.00000 273 4XY -0.00006 -0.00001 0.00006 -0.00000 0.00000 274 4XZ 0.00000 0.00000 -0.00000 0.00004 -0.00000 275 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00004 276 28 C 1S 0.00029 0.00006 -0.00040 0.00000 -0.00000 277 2S -0.00077 -0.00022 0.00088 -0.00000 0.00000 278 2PX -0.00001 -0.00001 0.00032 -0.00000 0.00000 279 2PY -0.00163 -0.00047 0.00152 -0.00000 0.00000 280 2PZ 0.00000 -0.00000 -0.00000 0.00133 0.00107 281 3S -0.00003 -0.00022 0.00082 -0.00000 0.00000 282 3PX 0.00012 -0.00024 0.00019 -0.00000 0.00000 283 3PY -0.00027 -0.00017 0.00064 -0.00000 -0.00000 284 3PZ -0.00000 -0.00000 -0.00000 0.00091 0.00123 285 4XX -0.00008 -0.00000 0.00002 -0.00000 0.00000 286 4YY 0.00017 0.00004 -0.00014 0.00000 0.00000 287 4ZZ 0.00003 -0.00000 -0.00001 0.00000 0.00000 288 4XY -0.00014 -0.00000 0.00006 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 -0.00016 -0.00031 290 4YZ 0.00000 0.00000 0.00000 -0.00012 -0.00024 291 29 C 1S -0.00159 -0.00023 0.00116 -0.00000 0.00000 292 2S 0.00322 0.00043 -0.00232 0.00000 -0.00000 293 2PX -0.00210 -0.00024 0.00065 -0.00000 0.00000 294 2PY 0.00702 0.00069 -0.00391 0.00000 -0.00000 295 2PZ 0.00000 0.00000 0.00000 -0.00305 -0.00702 296 3S 0.00398 0.00071 -0.00487 0.00000 -0.00000 297 3PX -0.00046 -0.00008 0.00003 -0.00000 0.00000 298 3PY 0.00298 0.00025 -0.00292 0.00000 -0.00000 299 3PZ 0.00000 0.00000 0.00000 -0.00147 -0.00477 300 4XX -0.00033 0.00005 -0.00002 0.00000 0.00000 301 4YY 0.00033 -0.00012 0.00023 0.00000 0.00000 302 4ZZ -0.00016 -0.00001 0.00005 0.00000 0.00000 303 4XY -0.00010 -0.00008 0.00011 -0.00000 0.00000 304 4XZ -0.00000 -0.00000 -0.00000 0.00011 0.00015 305 4YZ 0.00000 0.00000 -0.00000 -0.00024 -0.00042 306 30 H 1S -0.00096 0.00016 -0.00006 0.00000 0.00000 307 2S -0.00237 0.00014 0.00033 -0.00000 0.00000 308 31 H 1S 0.00097 0.00021 -0.00068 0.00000 -0.00000 309 2S 0.00136 0.00031 -0.00108 0.00000 -0.00000 310 32 H 1S -0.00020 0.00008 0.00005 -0.00000 0.00000 311 2S -0.00020 -0.00003 0.00028 -0.00000 0.00000 312 33 H 1S -0.00077 0.00021 0.00048 -0.00000 0.00000 313 2S -0.00109 0.00031 0.00055 -0.00000 0.00000 314 34 H 1S 0.00090 0.00016 -0.00130 0.00000 -0.00000 315 2S 0.00173 0.00014 -0.00240 0.00000 -0.00000 16 17 18 19 20 16 2 C 1S 2.05001 17 2S -0.06214 0.33248 18 2PX -0.00608 0.01612 0.38370 19 2PY 0.00000 -0.00000 0.00000 0.42865 20 2PZ -0.00000 0.00000 0.00000 -0.00000 0.35424 21 3S -0.17476 0.27513 -0.03822 -0.00000 -0.00000 22 3PX 0.01492 -0.04043 0.06975 -0.00000 0.00000 23 3PY -0.00000 0.00000 -0.00000 0.09215 -0.00000 24 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.22567 25 4XX -0.01872 0.00054 -0.01209 -0.00000 -0.00000 26 4YY -0.01642 -0.00397 0.01026 -0.00000 0.00000 27 4ZZ -0.01101 -0.01548 -0.00059 -0.00000 0.00000 28 4XY -0.00000 0.00000 -0.00000 0.01896 -0.00000 29 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00318 30 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 31 3 C 1S 0.01605 -0.03312 -0.03999 -0.06842 0.00000 32 2S -0.03148 0.05800 0.07599 0.13966 -0.00000 33 2PX 0.04469 -0.09461 -0.08091 -0.16809 0.00000 34 2PY 0.06061 -0.12646 -0.13637 -0.21827 0.00000 35 2PZ -0.00000 0.00000 0.00000 0.00000 0.18508 36 3S -0.00739 0.03873 0.11120 0.17086 -0.00000 37 3PX 0.00093 -0.00777 -0.00495 -0.07858 0.00000 38 3PY 0.00789 -0.03280 -0.05686 -0.05014 -0.00000 39 3PZ -0.00000 0.00000 0.00000 -0.00000 0.11622 40 4XX -0.00019 -0.00090 -0.00901 0.00238 -0.00000 41 4YY -0.00376 0.00616 0.00903 -0.00711 0.00000 42 4ZZ 0.00193 -0.00438 -0.00415 -0.00535 0.00000 43 4XY -0.00475 0.00938 0.00257 0.01060 -0.00000 44 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00801 45 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00998 46 4 C 1S -0.00322 0.00795 0.01013 0.00870 -0.00000 47 2S 0.00750 -0.01618 -0.02293 -0.02065 0.00000 48 2PX -0.01660 0.03954 0.03869 0.03293 -0.00000 49 2PY -0.00670 0.01202 0.01216 0.01934 -0.00000 50 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.02015 51 3S 0.00307 -0.01588 -0.05529 -0.00295 -0.00000 52 3PX -0.00885 0.02128 0.03939 0.01064 -0.00000 53 3PY 0.00413 -0.00062 0.00196 -0.00568 0.00000 54 3PZ -0.00000 0.00000 0.00000 0.00000 -0.02748 55 4XX -0.00011 0.00024 0.00207 0.00153 -0.00000 56 4YY -0.00043 0.00130 0.00080 0.00179 -0.00000 57 4ZZ -0.00010 0.00045 0.00022 0.00047 -0.00000 58 4XY -0.00170 0.00351 0.00445 0.00808 -0.00000 59 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00900 60 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00294 61 5 C 1S -0.00276 0.00434 0.00665 0.00000 0.00000 62 2S 0.00472 -0.00853 -0.01429 -0.00000 -0.00000 63 2PX -0.00675 0.00992 0.02209 0.00000 0.00000 64 2PY 0.00000 -0.00000 0.00000 -0.03147 0.00000 65 2PZ -0.00000 0.00000 0.00000 0.00000 -0.11499 66 3S 0.01892 -0.02455 -0.02485 0.00000 -0.00000 67 3PX -0.00844 0.00976 0.00501 0.00000 0.00000 68 3PY -0.00000 0.00000 -0.00000 -0.02177 0.00000 69 3PZ -0.00000 0.00000 0.00000 0.00000 -0.08684 70 4XX 0.00063 -0.00172 -0.00123 0.00000 -0.00000 71 4YY -0.00061 0.00142 0.00110 0.00000 0.00000 72 4ZZ -0.00037 0.00050 0.00036 0.00000 0.00000 73 4XY 0.00000 -0.00000 -0.00000 0.00250 -0.00000 74 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00018 75 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 76 6 C 1S -0.00322 0.00795 0.01013 -0.00870 0.00000 77 2S 0.00750 -0.01618 -0.02293 0.02065 -0.00000 78 2PX -0.01660 0.03954 0.03869 -0.03293 0.00000 79 2PY 0.00670 -0.01202 -0.01216 0.01934 -0.00000 80 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.02015 81 3S 0.00307 -0.01588 -0.05529 0.00295 -0.00000 82 3PX -0.00885 0.02128 0.03939 -0.01064 0.00000 83 3PY -0.00413 0.00062 -0.00196 -0.00568 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.02748 85 4XX -0.00011 0.00024 0.00207 -0.00153 0.00000 86 4YY -0.00043 0.00130 0.00080 -0.00179 0.00000 87 4ZZ -0.00010 0.00045 0.00022 -0.00047 0.00000 88 4XY 0.00170 -0.00351 -0.00445 0.00808 -0.00000 89 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00900 90 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00294 91 7 C 1S 0.01605 -0.03312 -0.03999 0.06842 -0.00000 92 2S -0.03148 0.05800 0.07599 -0.13966 0.00000 93 2PX 0.04469 -0.09461 -0.08091 0.16809 -0.00000 94 2PY -0.06061 0.12646 0.13637 -0.21827 0.00000 95 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.18508 96 3S -0.00739 0.03874 0.11120 -0.17086 0.00000 97 3PX 0.00093 -0.00777 -0.00495 0.07858 -0.00000 98 3PY -0.00789 0.03280 0.05686 -0.05014 -0.00000 99 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.11622 100 4XX -0.00019 -0.00090 -0.00901 -0.00238 0.00000 101 4YY -0.00376 0.00616 0.00903 0.00711 -0.00000 102 4ZZ 0.00193 -0.00438 -0.00415 0.00535 -0.00000 103 4XY 0.00475 -0.00938 -0.00257 0.01060 -0.00000 104 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00801 105 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00998 106 8 H 1S 0.01095 -0.02470 -0.01375 0.05357 -0.00000 107 2S 0.01379 -0.02540 -0.00415 0.12394 -0.00000 108 9 H 1S -0.00861 0.01797 0.01799 -0.02983 0.00000 109 2S -0.01127 0.02213 0.02659 -0.04995 0.00000 110 10 H 1S 0.00017 -0.00246 0.00239 -0.00000 0.00000 111 2S 0.00234 -0.00585 -0.00010 -0.00000 -0.00000 112 11 H 1S -0.00861 0.01797 0.01799 0.02983 -0.00000 113 2S -0.01127 0.02213 0.02659 0.04995 -0.00000 114 12 H 1S 0.01095 -0.02470 -0.01375 -0.05357 0.00000 115 2S 0.01379 -0.02540 -0.00415 -0.12394 0.00000 116 13 C 1S -0.00394 0.00825 -0.01395 0.00688 -0.00000 117 2S 0.00825 -0.01716 0.03033 -0.01310 0.00000 118 2PX 0.01293 -0.02651 0.04218 -0.01541 0.00000 119 2PY -0.00864 0.01972 -0.04259 0.00869 0.00000 120 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.02884 121 3S 0.01315 -0.02899 0.06637 -0.07446 0.00000 122 3PX 0.00001 0.00008 -0.01241 -0.03779 0.00000 123 3PY -0.00663 0.01240 -0.03284 0.04264 -0.00000 124 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.03023 125 4XX -0.00170 0.00346 -0.00670 0.00145 -0.00000 126 4YY 0.00105 -0.00208 0.00398 -0.00126 0.00000 127 4ZZ -0.00034 0.00067 -0.00060 0.00039 0.00000 128 4XY 0.00068 -0.00110 0.00364 0.00051 -0.00000 129 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00376 130 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00472 131 14 C 1S -0.00092 0.00163 -0.00430 -0.00030 0.00000 132 2S 0.00179 -0.00324 0.00882 0.00180 -0.00000 133 2PX -0.00144 0.00600 -0.00067 0.00864 -0.00000 134 2PY -0.00509 0.00762 -0.01279 0.00853 0.00000 135 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.03939 136 3S 0.00492 -0.00679 0.02054 -0.01293 0.00000 137 3PX -0.00163 0.00365 0.00511 0.01982 -0.00000 138 3PY -0.00299 0.00504 -0.02177 -0.01657 0.00000 139 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.01848 140 4XX -0.00055 0.00126 -0.00175 0.00066 -0.00000 141 4YY 0.00032 -0.00083 0.00150 -0.00027 -0.00000 142 4ZZ -0.00012 0.00017 -0.00023 0.00034 -0.00000 143 4XY -0.00008 0.00032 -0.00049 -0.00004 -0.00000 144 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00146 145 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00062 146 15 C 1S 0.00022 0.00013 0.00010 -0.00035 0.00000 147 2S -0.00029 -0.00031 -0.00071 -0.00068 0.00000 148 2PX -0.00022 -0.00229 0.00185 0.00068 -0.00000 149 2PY 0.00076 0.00052 0.00013 -0.00137 0.00000 150 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00029 151 3S -0.00082 -0.00087 0.01097 0.02475 -0.00000 152 3PX 0.00129 -0.00271 0.00620 0.00077 -0.00000 153 3PY 0.00059 0.00017 -0.00624 -0.01038 0.00000 154 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00418 155 4XX -0.00009 0.00029 -0.00018 0.00046 -0.00000 156 4YY 0.00010 -0.00030 0.00021 -0.00017 -0.00000 157 4ZZ 0.00005 -0.00005 0.00001 -0.00022 -0.00000 158 4XY 0.00011 -0.00026 0.00008 -0.00056 0.00000 159 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00200 160 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00174 161 16 C 1S -0.00009 -0.00006 -0.00019 0.00010 -0.00000 162 2S 0.00005 0.00018 0.00071 0.00071 -0.00000 163 2PX -0.00014 0.00248 -0.00133 0.00125 -0.00000 164 2PY -0.00032 0.00170 -0.00120 0.00087 -0.00000 165 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.03204 166 3S 0.00128 -0.00041 -0.00374 -0.00866 0.00000 167 3PX 0.00025 0.00082 0.00104 -0.00307 0.00000 168 3PY -0.00040 0.00063 0.00486 0.00853 -0.00000 169 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.02640 170 4XX -0.00006 0.00016 -0.00035 -0.00011 0.00000 171 4YY 0.00011 -0.00028 0.00040 -0.00002 0.00000 172 4ZZ -0.00003 0.00002 0.00004 0.00015 0.00000 173 4XY -0.00002 0.00008 -0.00015 0.00001 0.00000 174 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00022 175 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00030 176 17 C 1S -0.00075 0.00143 -0.00339 0.00027 -0.00000 177 2S 0.00161 -0.00313 0.00697 -0.00161 0.00000 178 2PX 0.00248 -0.00541 0.00960 -0.00009 0.00000 179 2PY -0.00273 0.00389 -0.01148 0.00071 -0.00000 180 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.01235 181 3S 0.00287 -0.00614 0.01716 0.01694 -0.00000 182 3PX 0.00160 -0.00413 0.01232 0.00793 -0.00000 183 3PY -0.00189 0.00283 -0.00220 -0.00223 -0.00000 184 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.01179 185 4XX -0.00028 0.00064 -0.00115 0.00043 -0.00000 186 4YY 0.00013 -0.00028 0.00049 -0.00004 -0.00000 187 4ZZ -0.00004 0.00009 -0.00023 -0.00011 -0.00000 188 4XY 0.00006 -0.00016 0.00038 -0.00037 0.00000 189 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00021 190 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00214 191 18 C 1S 0.00215 -0.00476 0.00879 -0.00237 0.00000 192 2S -0.00464 0.00991 -0.01744 0.00562 -0.00000 193 2PX -0.00921 0.01838 -0.03446 0.00912 -0.00000 194 2PY 0.00286 -0.00497 0.01026 0.00133 0.00000 195 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.03356 196 3S -0.01168 0.02533 -0.05973 -0.00641 0.00000 197 3PX -0.00573 0.01272 -0.03632 0.00226 -0.00000 198 3PY 0.00070 -0.00120 0.00413 -0.01812 0.00000 199 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.02942 200 4XX 0.00007 -0.00005 -0.00018 -0.00024 0.00000 201 4YY 0.00027 -0.00063 0.00129 -0.00045 0.00000 202 4ZZ 0.00010 -0.00026 0.00057 -0.00005 -0.00000 203 4XY -0.00024 0.00046 -0.00158 0.00008 0.00000 204 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00168 205 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00041 206 19 H 1S 0.00002 -0.00025 -0.00235 -0.00169 0.00000 207 2S 0.00074 -0.00166 -0.00241 -0.01116 0.00000 208 20 H 1S -0.00150 0.00341 -0.00555 0.00084 -0.00000 209 2S -0.00205 0.00435 -0.00698 0.00403 -0.00000 210 21 H 1S 0.00018 -0.00048 0.00099 -0.00044 0.00000 211 2S 0.00051 -0.00119 0.00080 -0.00349 0.00000 212 22 H 1S 0.00048 -0.00135 0.00091 -0.00150 0.00000 213 2S 0.00056 -0.00153 0.00153 -0.00223 0.00000 214 23 H 1S 0.00037 0.00103 -0.00409 -0.00567 0.00000 215 2S -0.00350 0.00759 -0.01003 0.01269 -0.00000 216 24 C 1S -0.00394 0.00825 -0.01395 -0.00688 0.00000 217 2S 0.00825 -0.01716 0.03033 0.01310 -0.00000 218 2PX 0.01293 -0.02651 0.04218 0.01541 -0.00000 219 2PY 0.00864 -0.01972 0.04259 0.00869 0.00000 220 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.02884 221 3S 0.01315 -0.02899 0.06637 0.07446 -0.00000 222 3PX 0.00001 0.00008 -0.01241 0.03779 -0.00000 223 3PY 0.00663 -0.01240 0.03284 0.04264 -0.00000 224 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.03023 225 4XX -0.00170 0.00346 -0.00670 -0.00145 0.00000 226 4YY 0.00105 -0.00208 0.00398 0.00126 -0.00000 227 4ZZ -0.00034 0.00067 -0.00060 -0.00039 -0.00000 228 4XY -0.00068 0.00110 -0.00364 0.00051 -0.00000 229 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00376 230 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00472 231 25 C 1S 0.00215 -0.00476 0.00879 0.00237 -0.00000 232 2S -0.00464 0.00991 -0.01744 -0.00562 0.00000 233 2PX -0.00921 0.01838 -0.03446 -0.00912 0.00000 234 2PY -0.00286 0.00497 -0.01026 0.00133 0.00000 235 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.03356 236 3S -0.01168 0.02533 -0.05973 0.00641 -0.00000 237 3PX -0.00573 0.01272 -0.03632 -0.00226 0.00000 238 3PY -0.00070 0.00120 -0.00413 -0.01812 0.00000 239 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.02942 240 4XX 0.00007 -0.00005 -0.00018 0.00024 -0.00000 241 4YY 0.00027 -0.00063 0.00129 0.00045 0.00000 242 4ZZ 0.00010 -0.00026 0.00057 0.00005 0.00000 243 4XY 0.00024 -0.00046 0.00158 0.00008 0.00000 244 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00168 245 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00041 246 26 C 1S -0.00075 0.00143 -0.00339 -0.00027 0.00000 247 2S 0.00161 -0.00313 0.00697 0.00161 -0.00000 248 2PX 0.00248 -0.00541 0.00960 0.00009 0.00000 249 2PY 0.00273 -0.00389 0.01148 0.00071 -0.00000 250 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.01235 251 3S 0.00287 -0.00614 0.01716 -0.01694 0.00000 252 3PX 0.00161 -0.00413 0.01232 -0.00793 0.00000 253 3PY 0.00189 -0.00283 0.00220 -0.00223 -0.00000 254 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.01179 255 4XX -0.00028 0.00064 -0.00115 -0.00043 0.00000 256 4YY 0.00013 -0.00028 0.00049 0.00004 0.00000 257 4ZZ -0.00004 0.00009 -0.00023 0.00011 0.00000 258 4XY -0.00006 0.00016 -0.00038 -0.00037 0.00000 259 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00021 260 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00214 261 27 C 1S -0.00009 -0.00006 -0.00019 -0.00010 0.00000 262 2S 0.00005 0.00018 0.00071 -0.00071 0.00000 263 2PX -0.00014 0.00248 -0.00133 -0.00125 0.00000 264 2PY 0.00032 -0.00170 0.00120 0.00087 -0.00000 265 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.03204 266 3S 0.00128 -0.00041 -0.00374 0.00866 -0.00000 267 3PX 0.00025 0.00082 0.00104 0.00307 -0.00000 268 3PY 0.00040 -0.00063 -0.00486 0.00853 -0.00000 269 3PZ -0.00000 0.00000 0.00000 -0.00000 0.02640 270 4XX -0.00006 0.00016 -0.00035 0.00011 -0.00000 271 4YY 0.00011 -0.00028 0.00040 0.00002 -0.00000 272 4ZZ -0.00003 0.00002 0.00004 -0.00015 -0.00000 273 4XY 0.00002 -0.00008 0.00015 0.00001 0.00000 274 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00022 275 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00030 276 28 C 1S 0.00022 0.00013 0.00010 0.00035 -0.00000 277 2S -0.00029 -0.00031 -0.00071 0.00068 -0.00000 278 2PX -0.00022 -0.00229 0.00185 -0.00068 0.00000 279 2PY -0.00076 -0.00052 -0.00013 -0.00137 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00029 281 3S -0.00082 -0.00087 0.01097 -0.02475 0.00000 282 3PX 0.00129 -0.00271 0.00620 -0.00077 0.00000 283 3PY -0.00059 -0.00017 0.00624 -0.01038 0.00000 284 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00418 285 4XX -0.00009 0.00029 -0.00018 -0.00046 0.00000 286 4YY 0.00010 -0.00030 0.00021 0.00017 0.00000 287 4ZZ 0.00005 -0.00005 0.00001 0.00022 0.00000 288 4XY -0.00011 0.00026 -0.00008 -0.00056 0.00000 289 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00200 290 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00174 291 29 C 1S -0.00092 0.00163 -0.00430 0.00030 -0.00000 292 2S 0.00179 -0.00324 0.00882 -0.00180 0.00000 293 2PX -0.00144 0.00600 -0.00067 -0.00864 0.00000 294 2PY 0.00509 -0.00762 0.01279 0.00853 0.00000 295 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.03939 296 3S 0.00492 -0.00679 0.02054 0.01293 -0.00000 297 3PX -0.00163 0.00365 0.00511 -0.01982 0.00000 298 3PY 0.00299 -0.00504 0.02177 -0.01657 0.00000 299 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.01848 300 4XX -0.00055 0.00126 -0.00175 -0.00066 0.00000 301 4YY 0.00032 -0.00083 0.00150 0.00027 0.00000 302 4ZZ -0.00012 0.00017 -0.00023 -0.00034 0.00000 303 4XY 0.00008 -0.00032 0.00049 -0.00004 -0.00000 304 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00146 305 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00062 306 30 H 1S 0.00037 0.00103 -0.00409 0.00567 -0.00000 307 2S -0.00350 0.00759 -0.01003 -0.01269 0.00000 308 31 H 1S 0.00048 -0.00135 0.00091 0.00150 -0.00000 309 2S 0.00056 -0.00153 0.00153 0.00223 -0.00000 310 32 H 1S 0.00018 -0.00048 0.00099 0.00044 -0.00000 311 2S 0.00051 -0.00119 0.00080 0.00349 -0.00000 312 33 H 1S -0.00150 0.00341 -0.00555 -0.00084 0.00000 313 2S -0.00205 0.00435 -0.00698 -0.00403 0.00000 314 34 H 1S 0.00002 -0.00025 -0.00235 0.00169 -0.00000 315 2S 0.00074 -0.00166 -0.00241 0.01116 -0.00000 21 22 23 24 25 21 3S 0.32445 22 3PX -0.07344 0.05067 23 3PY -0.00000 -0.00000 0.05539 24 3PZ -0.00000 0.00000 -0.00000 0.14580 25 4XX 0.00238 -0.00140 -0.00000 -0.00000 0.00131 26 4YY -0.00535 0.00213 0.00000 0.00000 -0.00075 27 4ZZ -0.01158 0.00169 -0.00000 0.00000 0.00003 28 4XY -0.00000 -0.00000 0.00326 -0.00000 0.00000 29 4XZ 0.00000 -0.00000 -0.00000 0.00210 0.00000 30 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.01064 -0.00217 -0.00741 0.00000 0.00005 32 2S 0.00232 0.02268 0.02078 -0.00000 -0.00133 33 2PX -0.07369 0.01703 -0.01792 0.00000 0.01217 34 2PY -0.10583 -0.00879 -0.05955 -0.00000 -0.00232 35 2PZ 0.00000 0.00000 -0.00000 0.11392 0.00000 36 3S 0.00310 0.01514 0.01312 -0.00000 -0.00332 37 3PX 0.01758 -0.00301 0.00425 -0.00000 0.00428 38 3PY -0.01909 -0.00105 -0.00124 -0.00000 -0.00062 39 3PZ 0.00000 0.00000 -0.00000 0.07216 0.00000 40 4XX 0.00068 -0.00158 0.00135 -0.00000 0.00058 41 4YY 0.00321 0.00018 -0.00262 0.00000 -0.00067 42 4ZZ -0.00120 -0.00085 -0.00043 0.00000 0.00006 43 4XY 0.01101 -0.00050 0.00455 -0.00000 0.00011 44 4XZ -0.00000 0.00000 -0.00000 -0.00564 -0.00000 45 4YZ -0.00000 0.00000 0.00000 -0.00633 0.00000 46 4 C 1S -0.00056 -0.00626 -0.00365 0.00000 -0.00153 47 2S -0.01405 -0.00489 0.00196 -0.00000 0.00328 48 2PX 0.05660 -0.02544 -0.00528 0.00000 -0.00963 49 2PY 0.07625 0.01529 0.05569 -0.00000 -0.00026 50 2PZ -0.00000 -0.00000 -0.00000 -0.02636 -0.00000 51 3S -0.01795 0.00122 0.00162 -0.00000 0.00223 52 3PX 0.03497 -0.00739 0.00221 -0.00000 -0.00329 53 3PY 0.02087 0.00185 0.01195 0.00000 0.00044 54 3PZ -0.00000 -0.00000 0.00000 -0.02558 -0.00000 55 4XX -0.00039 0.00223 -0.00037 0.00000 0.00018 56 4YY 0.00106 -0.00176 0.00213 -0.00000 -0.00042 57 4ZZ 0.00120 0.00006 -0.00032 -0.00000 -0.00012 58 4XY 0.00518 0.00096 0.00472 -0.00000 0.00015 59 4XZ -0.00000 -0.00000 -0.00000 -0.00590 -0.00000 60 4YZ -0.00000 0.00000 -0.00000 0.00253 0.00000 61 5 C 1S 0.02110 0.01568 -0.00000 0.00000 0.00074 62 2S -0.03399 -0.02230 0.00000 -0.00000 -0.00212 63 2PX 0.07377 0.03222 -0.00000 0.00000 0.00283 64 2PY 0.00000 -0.00000 -0.05918 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 -0.09179 0.00000 66 3S -0.04015 -0.02070 0.00000 -0.00000 -0.00147 67 3PX 0.02094 0.01115 -0.00000 0.00000 -0.00003 68 3PY 0.00000 -0.00000 -0.02706 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 -0.06699 -0.00000 70 4XX -0.00146 0.00196 -0.00000 0.00000 0.00067 71 4YY 0.00285 -0.00111 0.00000 -0.00000 -0.00030 72 4ZZ 0.00141 0.00076 -0.00000 0.00000 -0.00002 73 4XY -0.00000 -0.00000 0.00260 -0.00000 -0.00000 74 4XZ -0.00000 0.00000 -0.00000 0.00074 0.00000 75 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00056 -0.00626 0.00365 -0.00000 -0.00153 77 2S -0.01405 -0.00489 -0.00196 0.00000 0.00328 78 2PX 0.05660 -0.02544 0.00528 -0.00000 -0.00963 79 2PY -0.07625 -0.01529 0.05569 -0.00000 0.00026 80 2PZ 0.00000 0.00000 -0.00000 -0.02636 -0.00000 81 3S -0.01796 0.00122 -0.00162 0.00000 0.00223 82 3PX 0.03498 -0.00739 -0.00221 0.00000 -0.00329 83 3PY -0.02087 -0.00185 0.01195 0.00000 -0.00044 84 3PZ 0.00000 0.00000 0.00000 -0.02558 0.00000 85 4XX -0.00039 0.00223 0.00037 -0.00000 0.00018 86 4YY 0.00106 -0.00176 -0.00213 0.00000 -0.00042 87 4ZZ 0.00120 0.00006 0.00032 0.00000 -0.00012 88 4XY -0.00518 -0.00096 0.00472 -0.00000 -0.00015 89 4XZ 0.00000 0.00000 -0.00000 -0.00590 0.00000 90 4YZ -0.00000 0.00000 0.00000 -0.00253 0.00000 91 7 C 1S 0.01064 -0.00218 0.00741 -0.00000 0.00005 92 2S 0.00232 0.02268 -0.02078 0.00000 -0.00133 93 2PX -0.07369 0.01703 0.01792 -0.00000 0.01217 94 2PY 0.10583 0.00879 -0.05955 -0.00000 0.00232 95 2PZ -0.00000 -0.00000 -0.00000 0.11392 -0.00000 96 3S 0.00310 0.01514 -0.01312 0.00000 -0.00332 97 3PX 0.01758 -0.00301 -0.00425 0.00000 0.00428 98 3PY 0.01909 0.00105 -0.00124 -0.00000 0.00062 99 3PZ -0.00000 -0.00000 -0.00000 0.07216 -0.00000 100 4XX 0.00068 -0.00158 -0.00135 0.00000 0.00058 101 4YY 0.00321 0.00018 0.00262 -0.00000 -0.00067 102 4ZZ -0.00120 -0.00085 0.00043 -0.00000 0.00006 103 4XY -0.01101 0.00050 0.00455 -0.00000 -0.00011 104 4XZ 0.00000 -0.00000 -0.00000 -0.00564 0.00000 105 4YZ -0.00000 0.00000 -0.00000 0.00633 0.00000 106 8 H 1S -0.04895 0.00112 0.03638 -0.00000 -0.00516 107 2S -0.04426 -0.00120 0.04792 -0.00000 -0.00383 108 9 H 1S 0.05324 -0.00110 -0.03692 0.00000 -0.00179 109 2S 0.04262 0.00031 -0.03742 0.00000 -0.00224 110 10 H 1S 0.02250 0.01327 -0.00000 0.00000 0.00240 111 2S 0.01763 0.01566 -0.00000 0.00000 0.00394 112 11 H 1S 0.05324 -0.00110 0.03692 -0.00000 -0.00179 113 2S 0.04262 0.00031 0.03742 -0.00000 -0.00224 114 12 H 1S -0.04895 0.00112 -0.03638 0.00000 -0.00516 115 2S -0.04426 -0.00120 -0.04792 0.00000 -0.00383 116 13 C 1S 0.01315 -0.00574 -0.00330 0.00000 -0.00015 117 2S -0.02899 0.01070 0.00627 -0.00000 0.00013 118 2PX -0.09767 0.05946 0.00370 -0.00000 -0.00013 119 2PY 0.02024 0.00866 -0.02924 0.00000 -0.00172 120 2PZ -0.00000 -0.00000 0.00000 -0.03023 0.00000 121 3S -0.05723 0.03225 0.01968 -0.00000 -0.00125 122 3PX 0.00092 0.00247 0.01103 -0.00000 0.00078 123 3PY 0.03777 -0.02174 -0.00372 0.00000 0.00102 124 3PZ -0.00000 0.00000 0.00000 -0.02658 -0.00000 125 4XX 0.00530 -0.00266 -0.00049 0.00000 0.00022 126 4YY -0.00463 0.00228 0.00022 0.00000 -0.00001 127 4ZZ 0.00127 -0.00045 -0.00038 0.00000 -0.00007 128 4XY -0.00119 0.00074 -0.00152 -0.00000 -0.00024 129 4XZ 0.00000 -0.00000 -0.00000 0.00243 0.00000 130 4YZ 0.00000 -0.00000 0.00000 -0.00288 0.00000 131 14 C 1S 0.00483 -0.00095 0.00513 -0.00000 -0.00030 132 2S -0.00897 0.00412 -0.01169 0.00000 0.00053 133 2PX -0.02071 0.00772 -0.03007 0.00000 0.00246 134 2PY 0.06066 -0.04918 0.02979 -0.00000 0.00156 135 2PZ -0.00000 0.00000 -0.00000 -0.02922 -0.00000 136 3S -0.03321 0.02825 -0.01671 0.00000 0.00103 137 3PX -0.00337 0.00017 -0.00673 0.00000 0.00109 138 3PY 0.03477 -0.02138 0.01818 -0.00000 0.00246 139 3PZ -0.00000 0.00000 -0.00000 -0.01413 -0.00000 140 4XX 0.00135 -0.00056 -0.00228 0.00000 0.00017 141 4YY -0.00125 0.00062 0.00207 -0.00000 -0.00003 142 4ZZ 0.00072 -0.00033 0.00093 -0.00000 -0.00001 143 4XY 0.00004 0.00028 -0.00139 0.00000 0.00004 144 4XZ 0.00000 -0.00000 0.00000 0.00102 -0.00000 145 4YZ 0.00000 -0.00000 -0.00000 0.00086 0.00000 146 15 C 1S -0.00715 0.00759 -0.00604 0.00000 0.00001 147 2S 0.01190 -0.01043 0.01279 -0.00000 0.00005 148 2PX 0.03069 -0.03254 0.03124 -0.00000 0.00018 149 2PY -0.02946 0.01847 -0.01433 0.00000 -0.00023 150 2PZ 0.00000 -0.00000 0.00000 0.00316 0.00000 151 3S 0.00871 -0.01512 0.01284 -0.00000 -0.00197 152 3PX 0.00229 -0.00677 0.00746 -0.00000 -0.00020 153 3PY -0.00724 0.00734 -0.00276 0.00000 0.00074 154 3PZ 0.00000 -0.00000 0.00000 -0.00039 -0.00000 155 4XX -0.00081 0.00053 -0.00146 0.00000 0.00007 156 4YY 0.00062 -0.00073 0.00092 -0.00000 -0.00008 157 4ZZ -0.00067 0.00057 -0.00039 -0.00000 0.00001 158 4XY -0.00048 0.00027 0.00049 0.00000 -0.00005 159 4XZ 0.00000 -0.00000 0.00000 -0.00154 0.00000 160 4YZ -0.00000 0.00000 -0.00000 0.00124 0.00000 161 16 C 1S 0.00179 -0.00107 0.00192 -0.00000 -0.00014 162 2S -0.00266 0.00146 -0.00395 0.00000 0.00023 163 2PX -0.02433 0.02673 -0.02454 0.00000 -0.00001 164 2PY -0.01471 0.01093 -0.00662 -0.00000 -0.00030 165 2PZ 0.00000 -0.00000 -0.00000 0.02595 0.00000 166 3S -0.00594 0.00499 -0.00270 0.00000 0.00109 167 3PX -0.01312 0.01361 -0.01083 0.00000 0.00021 168 3PY -0.00650 0.00265 -0.00647 -0.00000 -0.00058 169 3PZ 0.00000 -0.00000 -0.00000 0.02062 0.00000 170 4XX 0.00021 -0.00011 0.00022 -0.00000 -0.00001 171 4YY -0.00017 0.00016 0.00030 -0.00000 -0.00000 172 4ZZ 0.00006 -0.00014 0.00005 0.00000 -0.00001 173 4XY -0.00008 -0.00007 0.00003 0.00000 0.00001 174 4XZ 0.00000 0.00000 0.00000 -0.00006 -0.00000 175 4YZ 0.00000 -0.00000 -0.00000 -0.00024 0.00000 176 17 C 1S 0.00688 -0.00786 0.00159 -0.00000 0.00012 177 2S -0.01323 0.01499 -0.00203 0.00000 -0.00011 178 2PX -0.00872 0.00970 -0.00897 0.00000 0.00024 179 2PY 0.04174 -0.04037 0.02147 -0.00000 0.00059 180 2PZ -0.00000 0.00000 -0.00000 0.00941 -0.00000 181 3S -0.01045 0.00500 -0.00599 0.00000 -0.00034 182 3PX -0.00491 0.00128 -0.00535 0.00000 -0.00028 183 3PY 0.00994 -0.00936 0.00518 -0.00000 -0.00016 184 3PZ -0.00000 0.00000 -0.00000 0.00913 0.00000 185 4XX 0.00103 -0.00030 -0.00043 0.00000 -0.00000 186 4YY -0.00028 -0.00013 0.00013 -0.00000 -0.00001 187 4ZZ 0.00040 -0.00059 0.00023 -0.00000 0.00001 188 4XY 0.00001 -0.00046 0.00060 -0.00000 0.00000 189 4XZ 0.00000 0.00000 -0.00000 -0.00014 -0.00000 190 4YZ 0.00000 0.00000 -0.00000 0.00171 0.00000 191 18 C 1S -0.01231 0.00232 0.00509 -0.00000 -0.00011 192 2S 0.02437 -0.00888 -0.00972 0.00000 0.00029 193 2PX 0.06949 -0.04641 0.00232 -0.00000 0.00091 194 2PY -0.03397 0.03722 -0.02031 0.00000 -0.00036 195 2PZ 0.00000 -0.00000 0.00000 -0.02729 0.00000 196 3S 0.05756 -0.02569 0.00179 -0.00000 0.00173 197 3PX 0.04364 -0.02777 0.00111 -0.00000 0.00127 198 3PY -0.02178 0.02244 -0.00626 0.00000 -0.00053 199 3PZ 0.00000 -0.00000 0.00000 -0.02299 0.00000 200 4XX 0.00068 -0.00053 0.00034 -0.00000 -0.00002 201 4YY -0.00163 0.00103 0.00023 -0.00000 -0.00001 202 4ZZ -0.00110 0.00044 0.00029 -0.00000 0.00000 203 4XY 0.00110 -0.00073 0.00007 0.00000 -0.00004 204 4XZ -0.00000 0.00000 0.00000 -0.00149 0.00000 205 4YZ 0.00000 -0.00000 -0.00000 0.00041 0.00000 206 19 H 1S 0.00208 -0.00615 0.00420 -0.00000 -0.00013 207 2S -0.00401 -0.00079 0.00206 -0.00000 -0.00029 208 20 H 1S 0.00210 -0.00019 0.00216 -0.00000 -0.00015 209 2S 0.00683 -0.00423 -0.00025 0.00000 -0.00010 210 21 H 1S -0.00147 -0.00094 0.00269 -0.00000 -0.00008 211 2S -0.00105 0.00057 0.00386 -0.00000 -0.00005 212 22 H 1S -0.00078 -0.00483 0.00810 -0.00000 -0.00029 213 2S -0.00293 -0.00185 0.00349 -0.00000 -0.00048 214 23 H 1S -0.01561 0.00100 -0.03145 0.00000 0.00091 215 2S 0.00389 -0.00543 -0.01974 0.00000 0.00042 216 24 C 1S 0.01315 -0.00574 0.00330 -0.00000 -0.00015 217 2S -0.02899 0.01070 -0.00627 0.00000 0.00013 218 2PX -0.09767 0.05946 -0.00370 0.00000 -0.00013 219 2PY -0.02024 -0.00866 -0.02923 0.00000 0.00172 220 2PZ 0.00000 0.00000 0.00000 -0.03023 -0.00000 221 3S -0.05723 0.03225 -0.01968 0.00000 -0.00125 222 3PX 0.00091 0.00247 -0.01103 0.00000 0.00078 223 3PY -0.03777 0.02174 -0.00372 0.00000 -0.00102 224 3PZ 0.00000 -0.00000 0.00000 -0.02658 0.00000 225 4XX 0.00530 -0.00266 0.00049 -0.00000 0.00022 226 4YY -0.00463 0.00228 -0.00022 -0.00000 -0.00001 227 4ZZ 0.00127 -0.00045 0.00038 -0.00000 -0.00007 228 4XY 0.00119 -0.00074 -0.00152 -0.00000 0.00024 229 4XZ -0.00000 0.00000 -0.00000 0.00243 -0.00000 230 4YZ 0.00000 -0.00000 -0.00000 0.00288 0.00000 231 25 C 1S -0.01231 0.00232 -0.00509 0.00000 -0.00011 232 2S 0.02437 -0.00888 0.00972 -0.00000 0.00029 233 2PX 0.06949 -0.04641 -0.00232 -0.00000 0.00091 234 2PY 0.03397 -0.03722 -0.02031 0.00000 0.00036 235 2PZ -0.00000 0.00000 0.00000 -0.02729 -0.00000 236 3S 0.05756 -0.02568 -0.00179 0.00000 0.00173 237 3PX 0.04364 -0.02777 -0.00111 -0.00000 0.00127 238 3PY 0.02178 -0.02244 -0.00626 0.00000 0.00053 239 3PZ -0.00000 0.00000 0.00000 -0.02299 -0.00000 240 4XX 0.00068 -0.00053 -0.00034 0.00000 -0.00002 241 4YY -0.00163 0.00103 -0.00023 0.00000 -0.00001 242 4ZZ -0.00110 0.00044 -0.00029 0.00000 0.00000 243 4XY -0.00110 0.00073 0.00007 0.00000 0.00004 244 4XZ 0.00000 -0.00000 0.00000 -0.00149 -0.00000 245 4YZ 0.00000 -0.00000 0.00000 -0.00041 0.00000 246 26 C 1S 0.00688 -0.00786 -0.00159 0.00000 0.00012 247 2S -0.01323 0.01499 0.00203 -0.00000 -0.00011 248 2PX -0.00872 0.00970 0.00897 -0.00000 0.00024 249 2PY -0.04174 0.04037 0.02147 -0.00000 -0.00059 250 2PZ 0.00000 -0.00000 -0.00000 0.00941 0.00000 251 3S -0.01045 0.00500 0.00599 -0.00000 -0.00034 252 3PX -0.00491 0.00128 0.00535 -0.00000 -0.00028 253 3PY -0.00994 0.00936 0.00518 -0.00000 0.00016 254 3PZ 0.00000 -0.00000 -0.00000 0.00913 -0.00000 255 4XX 0.00103 -0.00030 0.00043 -0.00000 -0.00000 256 4YY -0.00028 -0.00013 -0.00013 0.00000 -0.00001 257 4ZZ 0.00040 -0.00059 -0.00023 0.00000 0.00001 258 4XY -0.00001 0.00046 0.00060 -0.00000 -0.00000 259 4XZ 0.00000 -0.00000 -0.00000 -0.00014 0.00000 260 4YZ 0.00000 0.00000 0.00000 -0.00171 0.00000 261 27 C 1S 0.00179 -0.00107 -0.00192 0.00000 -0.00014 262 2S -0.00266 0.00146 0.00395 -0.00000 0.00023 263 2PX -0.02433 0.02673 0.02454 -0.00000 -0.00001 264 2PY 0.01471 -0.01093 -0.00662 -0.00000 0.00030 265 2PZ -0.00000 0.00000 -0.00000 0.02595 -0.00000 266 3S -0.00594 0.00499 0.00270 -0.00000 0.00109 267 3PX -0.01312 0.01361 0.01083 -0.00000 0.00021 268 3PY 0.00650 -0.00265 -0.00647 -0.00000 0.00058 269 3PZ -0.00000 0.00000 -0.00000 0.02062 -0.00000 270 4XX 0.00021 -0.00011 -0.00022 0.00000 -0.00001 271 4YY -0.00017 0.00016 -0.00030 0.00000 -0.00000 272 4ZZ 0.00006 -0.00014 -0.00005 -0.00000 -0.00001 273 4XY 0.00008 0.00007 0.00003 0.00000 -0.00001 274 4XZ -0.00000 -0.00000 -0.00000 -0.00006 0.00000 275 4YZ 0.00000 -0.00000 0.00000 0.00024 0.00000 276 28 C 1S -0.00715 0.00759 0.00604 -0.00000 0.00001 277 2S 0.01190 -0.01043 -0.01279 0.00000 0.00005 278 2PX 0.03069 -0.03254 -0.03124 0.00000 0.00018 279 2PY 0.02946 -0.01847 -0.01433 0.00000 0.00023 280 2PZ -0.00000 0.00000 0.00000 0.00316 -0.00000 281 3S 0.00871 -0.01512 -0.01284 0.00000 -0.00197 282 3PX 0.00229 -0.00677 -0.00746 0.00000 -0.00020 283 3PY 0.00724 -0.00734 -0.00276 0.00000 -0.00074 284 3PZ -0.00000 0.00000 0.00000 -0.00039 0.00000 285 4XX -0.00081 0.00053 0.00146 -0.00000 0.00007 286 4YY 0.00062 -0.00073 -0.00092 0.00000 -0.00008 287 4ZZ -0.00067 0.00057 0.00039 0.00000 0.00001 288 4XY 0.00048 -0.00027 0.00049 0.00000 0.00005 289 4XZ -0.00000 0.00000 0.00000 -0.00154 -0.00000 290 4YZ -0.00000 0.00000 0.00000 -0.00124 0.00000 291 29 C 1S 0.00483 -0.00095 -0.00513 0.00000 -0.00030 292 2S -0.00897 0.00412 0.01169 -0.00000 0.00053 293 2PX -0.02072 0.00772 0.03007 -0.00000 0.00246 294 2PY -0.06066 0.04918 0.02979 -0.00000 -0.00156 295 2PZ 0.00000 -0.00000 -0.00000 -0.02922 0.00000 296 3S -0.03321 0.02825 0.01671 -0.00000 0.00103 297 3PX -0.00337 0.00017 0.00673 -0.00000 0.00109 298 3PY -0.03477 0.02138 0.01818 -0.00000 -0.00246 299 3PZ 0.00000 -0.00000 -0.00000 -0.01413 0.00000 300 4XX 0.00135 -0.00056 0.00228 -0.00000 0.00017 301 4YY -0.00125 0.00062 -0.00207 0.00000 -0.00003 302 4ZZ 0.00072 -0.00033 -0.00093 0.00000 -0.00001 303 4XY -0.00004 -0.00028 -0.00139 0.00000 -0.00004 304 4XZ 0.00000 0.00000 0.00000 0.00102 0.00000 305 4YZ 0.00000 -0.00000 0.00000 -0.00086 0.00000 306 30 H 1S -0.01562 0.00100 0.03145 -0.00000 0.00091 307 2S 0.00389 -0.00543 0.01974 -0.00000 0.00042 308 31 H 1S -0.00078 -0.00483 -0.00810 0.00000 -0.00029 309 2S -0.00293 -0.00185 -0.00349 0.00000 -0.00048 310 32 H 1S -0.00147 -0.00094 -0.00269 0.00000 -0.00008 311 2S -0.00105 0.00057 -0.00386 0.00000 -0.00005 312 33 H 1S 0.00210 -0.00019 -0.00216 0.00000 -0.00015 313 2S 0.00683 -0.00423 0.00025 -0.00000 -0.00010 314 34 H 1S 0.00208 -0.00614 -0.00420 0.00000 -0.00013 315 2S -0.00401 -0.00079 -0.00205 0.00000 -0.00029 26 27 28 29 30 26 4YY 0.00119 27 4ZZ 0.00029 0.00084 28 4XY -0.00000 -0.00000 0.00137 29 4XZ -0.00000 0.00000 -0.00000 0.00038 30 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00068 31 3 C 1S -0.00398 0.00174 -0.00562 0.00000 0.00000 32 2S 0.00607 -0.00398 0.01089 -0.00000 -0.00000 33 2PX -0.00922 0.00329 -0.00189 0.00000 0.00000 34 2PY 0.00599 0.00514 -0.01196 0.00000 -0.00000 35 2PZ -0.00000 -0.00000 0.00000 0.00444 0.01113 36 3S 0.00703 -0.00305 0.01194 -0.00000 -0.00000 37 3PX -0.00382 0.00004 -0.00250 0.00000 0.00000 38 3PY 0.00196 0.00129 -0.00329 0.00000 -0.00000 39 3PZ -0.00000 -0.00000 0.00000 0.00268 0.00805 40 4XX -0.00053 0.00004 0.00025 -0.00000 0.00000 41 4YY 0.00069 -0.00026 -0.00058 0.00000 -0.00000 42 4ZZ -0.00026 0.00026 -0.00040 0.00000 -0.00000 43 4XY -0.00033 -0.00039 0.00046 -0.00000 0.00000 44 4XZ -0.00000 -0.00000 -0.00000 0.00012 0.00038 45 4YZ -0.00000 -0.00000 0.00000 -0.00014 0.00009 46 4 C 1S 0.00114 -0.00003 -0.00094 0.00000 -0.00000 47 2S -0.00233 0.00035 0.00181 -0.00000 0.00000 48 2PX 0.00454 -0.00031 -0.00526 0.00000 -0.00000 49 2PY -0.00057 -0.00055 -0.00113 -0.00000 -0.00000 50 2PZ -0.00000 -0.00000 -0.00000 0.00402 0.01067 51 3S -0.00261 0.00093 0.00255 -0.00000 0.00000 52 3PX 0.00168 -0.00062 -0.00127 0.00000 -0.00000 53 3PY -0.00036 -0.00015 -0.00104 -0.00000 -0.00000 54 3PZ -0.00000 -0.00000 -0.00000 0.00233 0.00728 55 4XX 0.00009 -0.00009 0.00030 -0.00000 -0.00000 56 4YY 0.00017 0.00001 -0.00023 0.00000 -0.00000 57 4ZZ 0.00005 -0.00000 -0.00009 0.00000 -0.00000 58 4XY -0.00029 -0.00015 0.00039 -0.00000 0.00000 59 4XZ 0.00000 0.00000 -0.00000 -0.00012 -0.00041 60 4YZ -0.00000 -0.00000 0.00000 -0.00015 0.00003 61 5 C 1S -0.00069 -0.00044 -0.00000 0.00000 0.00000 62 2S 0.00177 0.00069 0.00000 -0.00000 -0.00000 63 2PX -0.00164 -0.00097 -0.00000 0.00000 0.00000 64 2PY 0.00000 -0.00000 -0.00271 0.00000 -0.00000 65 2PZ -0.00000 0.00000 0.00000 0.00362 -0.00000 66 3S 0.00259 0.00091 0.00000 -0.00000 -0.00000 67 3PX -0.00014 -0.00033 0.00000 -0.00000 0.00000 68 3PY -0.00000 -0.00000 -0.00224 0.00000 -0.00000 69 3PZ -0.00000 0.00000 0.00000 0.00181 -0.00000 70 4XX -0.00037 -0.00001 -0.00000 0.00000 0.00000 71 4YY 0.00009 -0.00001 0.00000 -0.00000 -0.00000 72 4ZZ 0.00001 -0.00002 0.00000 -0.00000 -0.00000 73 4XY -0.00000 -0.00000 -0.00015 0.00000 -0.00000 74 4XZ -0.00000 -0.00000 0.00000 -0.00020 0.00000 75 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00068 76 6 C 1S 0.00114 -0.00003 0.00094 -0.00000 -0.00000 77 2S -0.00233 0.00035 -0.00181 0.00000 0.00000 78 2PX 0.00454 -0.00031 0.00526 -0.00000 -0.00000 79 2PY 0.00057 0.00055 -0.00113 -0.00000 0.00000 80 2PZ 0.00000 0.00000 -0.00000 0.00402 -0.01067 81 3S -0.00261 0.00093 -0.00255 0.00000 0.00000 82 3PX 0.00168 -0.00062 0.00127 -0.00000 -0.00000 83 3PY 0.00036 0.00015 -0.00104 -0.00000 0.00000 84 3PZ 0.00000 0.00000 -0.00000 0.00233 -0.00728 85 4XX 0.00009 -0.00009 -0.00030 0.00000 -0.00000 86 4YY 0.00017 0.00001 0.00023 -0.00000 -0.00000 87 4ZZ 0.00005 -0.00000 0.00009 -0.00000 -0.00000 88 4XY 0.00029 0.00015 0.00039 -0.00000 -0.00000 89 4XZ -0.00000 -0.00000 -0.00000 -0.00012 0.00041 90 4YZ -0.00000 -0.00000 -0.00000 0.00015 0.00003 91 7 C 1S -0.00398 0.00174 0.00562 -0.00000 0.00000 92 2S 0.00607 -0.00398 -0.01089 0.00000 -0.00000 93 2PX -0.00922 0.00329 0.00189 -0.00000 0.00000 94 2PY -0.00599 -0.00514 -0.01196 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00444 -0.01113 96 3S 0.00703 -0.00305 -0.01194 0.00000 -0.00000 97 3PX -0.00382 0.00004 0.00249 -0.00000 0.00000 98 3PY -0.00196 -0.00129 -0.00329 0.00000 0.00000 99 3PZ 0.00000 0.00000 0.00000 0.00268 -0.00805 100 4XX -0.00053 0.00004 -0.00025 0.00000 0.00000 101 4YY 0.00069 -0.00026 0.00058 -0.00000 -0.00000 102 4ZZ -0.00026 0.00026 0.00040 -0.00000 -0.00000 103 4XY 0.00033 0.00039 0.00046 -0.00000 -0.00000 104 4XZ 0.00000 0.00000 -0.00000 0.00012 -0.00038 105 4YZ -0.00000 -0.00000 -0.00000 0.00014 0.00009 106 8 H 1S 0.00822 0.00064 0.00334 -0.00000 -0.00000 107 2S 0.00507 0.00104 0.00718 -0.00000 -0.00000 108 9 H 1S -0.00007 -0.00046 0.00059 -0.00000 0.00000 109 2S 0.00040 -0.00058 -0.00026 0.00000 -0.00000 110 10 H 1S -0.00120 -0.00027 -0.00000 0.00000 0.00000 111 2S -0.00242 -0.00028 -0.00000 0.00000 0.00000 112 11 H 1S -0.00007 -0.00046 -0.00059 0.00000 0.00000 113 2S 0.00040 -0.00058 0.00026 -0.00000 -0.00000 114 12 H 1S 0.00822 0.00063 -0.00334 0.00000 -0.00000 115 2S 0.00507 0.00104 -0.00718 0.00000 -0.00000 116 13 C 1S -0.00051 -0.00034 0.00171 -0.00000 0.00000 117 2S 0.00126 0.00067 -0.00332 0.00000 -0.00000 118 2PX 0.00165 0.00063 -0.00453 0.00000 -0.00000 119 2PY -0.00054 -0.00033 0.00565 -0.00000 0.00000 120 2PZ -0.00000 -0.00000 -0.00000 -0.00597 0.00090 121 3S 0.00192 0.00127 -0.00556 0.00000 -0.00000 122 3PX -0.00082 -0.00010 -0.00177 0.00000 0.00000 123 3PY -0.00148 -0.00059 0.00226 0.00000 0.00000 124 3PZ 0.00000 -0.00000 0.00000 -0.00371 0.00067 125 4XX -0.00030 -0.00011 0.00011 -0.00000 0.00000 126 4YY 0.00017 0.00004 -0.00006 -0.00000 -0.00000 127 4ZZ -0.00001 -0.00002 0.00012 -0.00000 0.00000 128 4XY 0.00010 0.00009 0.00029 -0.00000 -0.00000 129 4XZ -0.00000 -0.00000 -0.00000 -0.00005 0.00002 130 4YZ -0.00000 -0.00000 -0.00000 0.00009 0.00001 131 14 C 1S 0.00024 -0.00014 -0.00037 0.00000 -0.00000 132 2S -0.00061 0.00024 0.00086 -0.00000 0.00000 133 2PX -0.00311 0.00041 0.00029 -0.00000 0.00000 134 2PY -0.00096 -0.00074 -0.00085 0.00000 0.00000 135 2PZ 0.00000 -0.00000 0.00000 -0.00241 0.00064 136 3S -0.00141 0.00047 0.00240 -0.00000 0.00000 137 3PX -0.00138 0.00003 0.00002 0.00000 0.00000 138 3PY -0.00255 -0.00038 -0.00039 0.00000 0.00000 139 3PZ 0.00000 -0.00000 0.00000 -0.00136 0.00083 140 4XX -0.00025 -0.00000 0.00014 -0.00000 0.00000 141 4YY 0.00010 0.00000 -0.00015 -0.00000 -0.00000 142 4ZZ 0.00000 -0.00001 -0.00001 -0.00000 0.00000 143 4XY -0.00011 0.00002 0.00012 -0.00000 0.00000 144 4XZ 0.00000 -0.00000 -0.00000 0.00005 0.00002 145 4YZ -0.00000 0.00000 0.00000 0.00022 -0.00004 146 15 C 1S -0.00017 0.00010 0.00018 -0.00000 0.00000 147 2S 0.00024 -0.00017 -0.00033 0.00000 -0.00000 148 2PX 0.00042 -0.00044 -0.00025 0.00000 -0.00000 149 2PY -0.00040 0.00034 0.00068 -0.00000 0.00000 150 2PZ 0.00000 -0.00000 -0.00000 0.00117 -0.00013 151 3S 0.00249 -0.00017 -0.00101 0.00000 -0.00000 152 3PX 0.00055 -0.00006 -0.00037 0.00000 -0.00000 153 3PY -0.00105 0.00010 0.00079 -0.00000 0.00000 154 3PZ 0.00000 0.00000 -0.00000 0.00085 -0.00034 155 4XX -0.00010 0.00002 0.00002 -0.00000 0.00000 156 4YY 0.00009 -0.00001 0.00002 -0.00000 -0.00000 157 4ZZ -0.00002 0.00001 0.00001 -0.00000 0.00000 158 4XY 0.00007 0.00000 -0.00001 0.00000 -0.00000 159 4XZ -0.00000 -0.00000 0.00000 -0.00015 0.00002 160 4YZ -0.00000 0.00000 -0.00000 0.00007 -0.00001 161 16 C 1S 0.00013 -0.00006 0.00006 -0.00000 -0.00000 162 2S -0.00020 0.00009 -0.00005 0.00000 0.00000 163 2PX -0.00047 0.00032 -0.00001 0.00000 0.00000 164 2PY -0.00018 0.00011 0.00008 -0.00000 0.00000 165 2PZ 0.00000 0.00000 -0.00000 0.00313 -0.00045 166 3S -0.00107 0.00008 0.00000 0.00000 0.00000 167 3PX -0.00041 0.00014 -0.00000 0.00000 0.00000 168 3PY 0.00042 0.00010 -0.00008 -0.00000 -0.00000 169 3PZ -0.00000 0.00000 -0.00000 0.00206 -0.00027 170 4XX -0.00000 -0.00000 0.00002 -0.00000 0.00000 171 4YY 0.00002 -0.00001 -0.00004 0.00000 -0.00000 172 4ZZ 0.00001 -0.00000 0.00001 0.00000 -0.00000 173 4XY -0.00002 0.00000 0.00005 -0.00000 0.00000 174 4XZ 0.00000 -0.00000 -0.00000 0.00001 0.00000 175 4YZ -0.00000 -0.00000 0.00000 -0.00007 0.00001 176 17 C 1S -0.00012 -0.00003 0.00016 -0.00000 0.00000 177 2S 0.00020 0.00008 -0.00045 0.00000 -0.00000 178 2PX 0.00022 0.00005 -0.00092 0.00000 -0.00000 179 2PY -0.00025 -0.00032 0.00091 -0.00000 0.00000 180 2PZ 0.00000 0.00000 -0.00000 0.00200 -0.00020 181 3S 0.00049 0.00025 -0.00078 0.00000 -0.00000 182 3PX 0.00047 0.00014 -0.00043 0.00000 -0.00000 183 3PY 0.00017 -0.00011 0.00051 -0.00000 -0.00000 184 3PZ -0.00000 0.00000 -0.00000 0.00159 -0.00012 185 4XX -0.00004 -0.00000 0.00008 -0.00000 0.00000 186 4YY 0.00003 0.00000 -0.00002 -0.00000 -0.00000 187 4ZZ -0.00001 -0.00000 0.00001 -0.00000 0.00000 188 4XY 0.00002 0.00000 -0.00001 -0.00000 -0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00003 -0.00000 190 4YZ 0.00000 0.00000 -0.00000 0.00014 -0.00003 191 18 C 1S 0.00033 0.00005 -0.00048 0.00000 -0.00000 192 2S -0.00077 -0.00017 0.00098 -0.00000 0.00000 193 2PX -0.00144 -0.00043 0.00186 -0.00000 0.00000 194 2PY 0.00029 0.00021 -0.00095 0.00000 -0.00000 195 2PZ -0.00000 -0.00000 0.00000 -0.00168 0.00033 196 3S -0.00265 -0.00080 0.00185 -0.00000 0.00000 197 3PX -0.00159 -0.00045 0.00080 -0.00000 0.00000 198 3PY 0.00051 0.00005 -0.00044 0.00000 -0.00000 199 3PZ -0.00000 -0.00000 0.00000 -0.00116 0.00008 200 4XX 0.00001 0.00001 0.00003 -0.00000 -0.00000 201 4YY 0.00005 0.00001 -0.00007 -0.00000 -0.00000 202 4ZZ 0.00001 0.00000 -0.00004 -0.00000 -0.00000 203 4XY 0.00000 -0.00002 0.00017 -0.00000 -0.00000 204 4XZ -0.00000 -0.00000 -0.00000 -0.00024 0.00003 205 4YZ -0.00000 0.00000 0.00000 0.00011 -0.00001 206 19 H 1S 0.00017 -0.00006 0.00033 -0.00000 -0.00000 207 2S 0.00042 -0.00006 0.00009 -0.00000 -0.00000 208 20 H 1S -0.00017 -0.00000 0.00050 -0.00000 0.00000 209 2S -0.00022 -0.00001 0.00063 -0.00000 0.00000 210 21 H 1S 0.00006 -0.00002 -0.00015 0.00000 -0.00000 211 2S 0.00011 -0.00006 -0.00029 0.00000 -0.00000 212 22 H 1S 0.00031 -0.00004 0.00016 -0.00000 -0.00000 213 2S 0.00048 0.00000 0.00011 -0.00000 -0.00000 214 23 H 1S -0.00105 0.00041 -0.00008 0.00000 0.00000 215 2S -0.00076 0.00012 0.00085 -0.00000 0.00000 216 24 C 1S -0.00051 -0.00034 -0.00171 0.00000 0.00000 217 2S 0.00126 0.00067 0.00332 -0.00000 -0.00000 218 2PX 0.00165 0.00064 0.00453 -0.00000 -0.00000 219 2PY 0.00054 0.00033 0.00565 -0.00000 0.00000 220 2PZ 0.00000 0.00000 -0.00000 -0.00597 -0.00090 221 3S 0.00192 0.00127 0.00556 -0.00000 -0.00000 222 3PX -0.00082 -0.00010 0.00177 -0.00000 0.00000 223 3PY 0.00148 0.00059 0.00226 0.00000 -0.00000 224 3PZ -0.00000 0.00000 0.00000 -0.00371 -0.00067 225 4XX -0.00030 -0.00011 -0.00011 0.00000 0.00000 226 4YY 0.00017 0.00004 0.00006 0.00000 -0.00000 227 4ZZ -0.00001 -0.00002 -0.00012 0.00000 -0.00000 228 4XY -0.00010 -0.00009 0.00029 -0.00000 0.00000 229 4XZ 0.00000 0.00000 -0.00000 -0.00005 -0.00002 230 4YZ -0.00000 -0.00000 0.00000 -0.00009 0.00001 231 25 C 1S 0.00033 0.00005 0.00048 -0.00000 -0.00000 232 2S -0.00077 -0.00017 -0.00098 0.00000 0.00000 233 2PX -0.00144 -0.00043 -0.00186 0.00000 0.00000 234 2PY -0.00029 -0.00021 -0.00095 0.00000 0.00000 235 2PZ 0.00000 0.00000 0.00000 -0.00168 -0.00033 236 3S -0.00265 -0.00080 -0.00185 0.00000 0.00000 237 3PX -0.00159 -0.00045 -0.00080 0.00000 0.00000 238 3PY -0.00051 -0.00005 -0.00044 0.00000 0.00000 239 3PZ 0.00000 0.00000 0.00000 -0.00116 -0.00008 240 4XX 0.00001 0.00001 -0.00003 0.00000 -0.00000 241 4YY 0.00005 0.00001 0.00007 0.00000 -0.00000 242 4ZZ 0.00001 0.00000 0.00004 0.00000 -0.00000 243 4XY -0.00000 0.00002 0.00017 -0.00000 0.00000 244 4XZ 0.00000 0.00000 -0.00000 -0.00024 -0.00003 245 4YZ -0.00000 -0.00000 -0.00000 -0.00011 -0.00001 246 26 C 1S -0.00012 -0.00003 -0.00016 0.00000 0.00000 247 2S 0.00020 0.00008 0.00045 -0.00000 -0.00000 248 2PX 0.00022 0.00005 0.00092 -0.00000 -0.00000 249 2PY 0.00025 0.00032 0.00091 -0.00000 -0.00000 250 2PZ -0.00000 -0.00000 -0.00000 0.00200 0.00020 251 3S 0.00049 0.00025 0.00078 -0.00000 -0.00000 252 3PX 0.00047 0.00014 0.00043 -0.00000 -0.00000 253 3PY -0.00017 0.00011 0.00051 -0.00000 0.00000 254 3PZ 0.00000 -0.00000 -0.00000 0.00159 0.00012 255 4XX -0.00004 -0.00000 -0.00008 0.00000 0.00000 256 4YY 0.00003 0.00000 0.00002 0.00000 -0.00000 257 4ZZ -0.00001 -0.00000 -0.00001 0.00000 0.00000 258 4XY -0.00002 -0.00000 -0.00001 -0.00000 0.00000 259 4XZ 0.00000 0.00000 -0.00000 0.00003 0.00000 260 4YZ 0.00000 0.00000 0.00000 -0.00014 -0.00003 261 27 C 1S 0.00013 -0.00006 -0.00006 0.00000 -0.00000 262 2S -0.00020 0.00009 0.00005 -0.00000 0.00000 263 2PX -0.00047 0.00032 0.00001 -0.00000 0.00000 264 2PY 0.00018 -0.00011 0.00008 -0.00000 -0.00000 265 2PZ -0.00000 -0.00000 -0.00000 0.00313 0.00045 266 3S -0.00107 0.00008 -0.00000 0.00000 0.00000 267 3PX -0.00041 0.00014 0.00000 0.00000 0.00000 268 3PY -0.00042 -0.00010 -0.00008 -0.00000 0.00000 269 3PZ 0.00000 -0.00000 -0.00000 0.00206 0.00027 270 4XX -0.00000 -0.00000 -0.00002 0.00000 0.00000 271 4YY 0.00002 -0.00001 0.00004 -0.00000 -0.00000 272 4ZZ 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 273 4XY 0.00002 -0.00000 0.00005 -0.00000 -0.00000 274 4XZ -0.00000 0.00000 -0.00000 0.00001 -0.00000 275 4YZ -0.00000 0.00000 -0.00000 0.00007 0.00001 276 28 C 1S -0.00017 0.00010 -0.00018 0.00000 0.00000 277 2S 0.00024 -0.00017 0.00033 -0.00000 -0.00000 278 2PX 0.00042 -0.00044 0.00025 -0.00000 -0.00000 279 2PY 0.00040 -0.00034 0.00068 -0.00000 -0.00000 280 2PZ -0.00000 0.00000 -0.00000 0.00117 0.00013 281 3S 0.00249 -0.00017 0.00101 -0.00000 -0.00000 282 3PX 0.00055 -0.00006 0.00037 -0.00000 -0.00000 283 3PY 0.00105 -0.00010 0.00079 -0.00000 -0.00000 284 3PZ -0.00000 -0.00000 -0.00000 0.00085 0.00034 285 4XX -0.00010 0.00002 -0.00002 0.00000 0.00000 286 4YY 0.00009 -0.00001 -0.00002 0.00000 -0.00000 287 4ZZ -0.00002 0.00001 -0.00001 0.00000 0.00000 288 4XY -0.00007 -0.00000 -0.00001 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 -0.00015 -0.00002 290 4YZ -0.00000 0.00000 0.00000 -0.00007 -0.00001 291 29 C 1S 0.00024 -0.00014 0.00037 -0.00000 -0.00000 292 2S -0.00061 0.00024 -0.00086 0.00000 0.00000 293 2PX -0.00311 0.00041 -0.00029 0.00000 0.00000 294 2PY 0.00096 0.00074 -0.00085 0.00000 -0.00000 295 2PZ -0.00000 0.00000 0.00000 -0.00241 -0.00064 296 3S -0.00141 0.00047 -0.00240 0.00000 0.00000 297 3PX -0.00138 0.00003 -0.00002 0.00000 0.00000 298 3PY 0.00255 0.00038 -0.00039 0.00000 -0.00000 299 3PZ -0.00000 0.00000 0.00000 -0.00136 -0.00083 300 4XX -0.00025 -0.00000 -0.00014 0.00000 0.00000 301 4YY 0.00010 0.00000 0.00015 0.00000 -0.00000 302 4ZZ 0.00000 -0.00001 0.00001 0.00000 0.00000 303 4XY 0.00011 -0.00002 0.00012 -0.00000 -0.00000 304 4XZ -0.00000 0.00000 -0.00000 0.00005 -0.00002 305 4YZ -0.00000 0.00000 -0.00000 -0.00022 -0.00004 306 30 H 1S -0.00105 0.00041 0.00008 -0.00000 0.00000 307 2S -0.00076 0.00012 -0.00085 0.00000 0.00000 308 31 H 1S 0.00031 -0.00004 -0.00016 0.00000 -0.00000 309 2S 0.00048 0.00000 -0.00011 0.00000 -0.00000 310 32 H 1S 0.00006 -0.00002 0.00015 -0.00000 -0.00000 311 2S 0.00011 -0.00006 0.00029 -0.00000 -0.00000 312 33 H 1S -0.00017 -0.00000 -0.00050 0.00000 0.00000 313 2S -0.00022 -0.00001 -0.00063 0.00000 0.00000 314 34 H 1S 0.00017 -0.00006 -0.00033 0.00000 -0.00000 315 2S 0.00042 -0.00006 -0.00009 0.00000 -0.00000 31 32 33 34 35 31 3 C 1S 2.05345 32 2S -0.06555 0.33572 33 2PX -0.00040 0.00633 0.43300 34 2PY -0.00497 0.00778 -0.02031 0.43672 35 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.31455 36 3S -0.17800 0.27937 -0.06069 -0.03243 0.00000 37 3PX 0.00663 -0.01949 0.14299 -0.02245 0.00000 38 3PY -0.00173 0.01523 -0.01360 0.14104 -0.00000 39 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.21196 40 4XX -0.01737 -0.00253 0.01199 -0.00620 0.00000 41 4YY -0.02028 0.00256 -0.01663 0.01297 -0.00000 42 4ZZ -0.01124 -0.01627 0.00058 -0.00076 0.00000 43 4XY 0.00105 -0.00143 -0.00245 -0.01729 0.00000 44 4XZ -0.00000 0.00000 0.00000 0.00000 0.00500 45 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00426 46 4 C 1S 0.01717 -0.03513 -0.08054 0.00871 -0.00000 47 2S -0.03496 0.06184 0.16366 -0.01926 0.00000 48 2PX 0.08082 -0.16987 -0.32062 0.02748 -0.00000 49 2PY 0.00598 -0.00789 -0.00454 0.01577 -0.00000 50 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.23430 51 3S 0.00747 0.01774 0.13376 -0.03554 0.00000 52 3PX 0.01300 -0.04088 -0.09186 -0.01138 0.00000 53 3PY -0.00501 -0.00145 0.00672 0.01893 -0.00000 54 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.14787 55 4XX -0.00691 0.01235 0.00672 0.00137 -0.00000 56 4YY 0.00335 -0.00800 -0.01266 0.00109 -0.00000 57 4ZZ 0.00189 -0.00436 -0.00673 0.00020 0.00000 58 4XY 0.00027 -0.00018 0.00378 -0.01463 0.00000 59 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.01145 60 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00103 61 5 C 1S -0.00269 0.00737 0.01572 -0.00696 0.00000 62 2S 0.00771 -0.01778 -0.04216 0.01735 -0.00000 63 2PX -0.01095 0.02820 0.04716 -0.01346 0.00000 64 2PY 0.00733 -0.02338 -0.03328 0.02311 -0.00000 65 2PZ -0.00000 0.00000 0.00000 -0.00000 0.02250 66 3S -0.01214 0.00519 -0.02968 0.04492 -0.00000 67 3PX 0.00623 -0.00059 -0.00341 -0.00437 0.00000 68 3PY 0.00384 -0.01150 -0.03516 0.03971 -0.00000 69 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00378 70 4XX -0.00185 0.00422 0.01092 -0.00195 0.00000 71 4YY 0.00112 -0.00228 -0.00394 -0.00012 -0.00000 72 4ZZ 0.00015 0.00004 -0.00043 0.00011 -0.00000 73 4XY 0.00127 -0.00252 -0.00629 0.00202 -0.00000 74 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00310 75 4YZ -0.00000 0.00000 0.00000 -0.00000 0.01140 76 6 C 1S -0.00371 0.00732 0.00567 -0.00803 0.00000 77 2S 0.00676 -0.01578 -0.01249 0.01750 -0.00000 78 2PX -0.00381 0.01218 -0.01690 -0.02480 0.00000 79 2PY 0.00829 -0.01715 -0.02745 0.01297 0.00000 80 2PZ -0.00000 0.00000 0.00000 0.00000 -0.12114 81 3S 0.02554 -0.03914 -0.03807 0.05758 -0.00000 82 3PX -0.00574 0.00920 -0.01324 -0.01553 0.00000 83 3PY 0.01179 -0.01583 -0.02148 0.01409 0.00000 84 3PZ -0.00000 0.00000 0.00000 0.00000 -0.09540 85 4XX -0.00014 0.00033 0.00167 0.00024 -0.00000 86 4YY -0.00005 -0.00003 -0.00167 -0.00087 -0.00000 87 4ZZ -0.00036 0.00044 0.00009 -0.00004 -0.00000 88 4XY -0.00030 0.00099 -0.00230 -0.00155 0.00000 89 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00212 90 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00193 91 7 C 1S -0.00369 0.00959 -0.00329 -0.01467 0.00000 92 2S 0.00959 -0.02337 0.00534 0.03830 -0.00000 93 2PX -0.00329 0.00534 0.00051 -0.01551 0.00000 94 2PY 0.01467 -0.03830 0.01551 0.04572 -0.00000 95 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.05536 96 3S 0.00297 -0.02310 0.01796 0.06015 -0.00000 97 3PX -0.00927 0.01593 -0.00670 -0.04459 0.00000 98 3PY -0.00127 -0.00724 0.00230 -0.00114 0.00000 99 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.05372 100 4XX 0.00142 -0.00289 0.00254 0.00619 -0.00000 101 4YY -0.00251 0.00558 -0.00446 -0.01259 0.00000 102 4ZZ 0.00013 -0.00004 -0.00063 0.00063 -0.00000 103 4XY -0.00053 0.00150 -0.00052 -0.00212 0.00000 104 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00771 105 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00714 106 8 H 1S -0.00811 0.02016 -0.01462 -0.03080 0.00000 107 2S -0.01643 0.03541 -0.02918 -0.08345 0.00000 108 9 H 1S -0.00117 0.00253 0.00438 -0.00261 0.00000 109 2S 0.00133 -0.00120 0.00613 0.00286 -0.00000 110 10 H 1S -0.00767 0.01793 0.03697 -0.00567 0.00000 111 2S -0.01140 0.02354 0.06502 -0.01491 0.00000 112 11 H 1S 0.01500 -0.03230 -0.03739 -0.01849 0.00000 113 2S 0.01779 -0.03390 -0.06803 -0.03575 0.00000 114 12 H 1S -0.06214 0.11951 -0.11605 0.26076 -0.00000 115 2S -0.00435 0.01667 -0.06986 0.21659 -0.00000 116 13 C 1S -0.00092 0.00179 -0.00369 -0.00379 0.00000 117 2S 0.00163 -0.00324 0.00360 0.00900 -0.00000 118 2PX 0.00189 -0.00285 0.00802 0.01366 -0.00000 119 2PY -0.00387 0.00854 -0.00777 -0.00017 0.00000 120 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.03939 121 3S 0.00483 -0.00897 0.06289 0.01239 -0.00000 122 3PX 0.00492 -0.01218 0.05859 -0.00070 0.00000 123 3PY 0.00174 -0.00228 -0.01980 -0.02108 0.00000 124 3PZ -0.00000 0.00000 0.00000 0.00000 -0.02922 125 4XX 0.00038 -0.00097 0.00123 -0.00152 0.00000 126 4YY -0.00044 0.00089 -0.00040 0.00126 0.00000 127 4ZZ -0.00014 0.00024 -0.00085 -0.00001 0.00000 128 4XY 0.00008 -0.00014 -0.00014 -0.00313 0.00000 129 4XZ -0.00000 0.00000 0.00000 0.00000 0.00176 130 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00177 131 14 C 1S -0.00318 0.00679 -0.00961 0.01598 -0.00000 132 2S 0.00679 -0.01483 0.01944 -0.03438 0.00000 133 2PX 0.01864 -0.03949 0.05374 -0.08622 0.00000 134 2PY -0.00033 -0.00035 -0.00387 0.00173 0.00000 135 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.02648 136 3S 0.00790 -0.01412 0.06413 -0.06064 0.00000 137 3PX 0.01087 -0.01813 0.01253 -0.04847 0.00000 138 3PY 0.00658 -0.01400 0.06785 -0.02962 0.00000 139 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00618 140 4XX 0.00107 -0.00235 0.00342 -0.00535 0.00000 141 4YY -0.00044 0.00086 -0.00073 0.00171 -0.00000 142 4ZZ -0.00024 0.00040 -0.00057 0.00054 -0.00000 143 4XY 0.00088 -0.00161 0.00180 -0.00297 0.00000 144 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00144 145 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00106 146 15 C 1S 0.00122 -0.00252 0.00423 -0.00572 0.00000 147 2S -0.00263 0.00514 -0.00496 0.01091 -0.00000 148 2PX -0.00387 0.00740 -0.01060 0.01520 -0.00000 149 2PY 0.00328 -0.00603 0.01142 -0.01611 0.00000 150 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00434 151 3S -0.00818 0.01810 -0.07974 0.04408 -0.00000 152 3PX -0.00160 0.00363 -0.01539 0.01215 -0.00000 153 3PY 0.00181 -0.00501 0.03599 -0.01829 0.00000 154 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00243 155 4XX 0.00054 -0.00122 0.00152 -0.00279 0.00000 156 4YY -0.00037 0.00089 -0.00181 0.00222 -0.00000 157 4ZZ 0.00003 -0.00015 0.00077 -0.00047 -0.00000 158 4XY -0.00036 0.00075 -0.00057 0.00165 -0.00000 159 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00158 160 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00119 161 16 C 1S -0.00079 0.00150 -0.00262 0.00333 -0.00000 162 2S 0.00164 -0.00336 0.00390 -0.00737 0.00000 163 2PX 0.00347 -0.00681 0.00999 -0.01495 0.00000 164 2PY -0.00029 0.00118 0.00014 0.00073 -0.00000 165 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.02803 166 3S 0.00475 -0.00961 0.02986 -0.01814 0.00000 167 3PX 0.00288 -0.00536 0.01009 -0.01003 0.00000 168 3PY -0.00045 0.00152 -0.01840 0.00266 -0.00000 169 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.02161 170 4XX -0.00005 0.00017 -0.00008 0.00038 -0.00000 171 4YY -0.00009 0.00016 -0.00019 0.00043 0.00000 172 4ZZ -0.00006 0.00008 -0.00036 0.00013 0.00000 173 4XY 0.00019 -0.00038 0.00063 -0.00100 0.00000 174 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00008 175 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00049 176 17 C 1S -0.00025 0.00057 -0.00052 0.00093 -0.00000 177 2S 0.00063 -0.00149 0.00235 -0.00184 0.00000 178 2PX 0.00074 -0.00204 0.00195 -0.00199 0.00000 179 2PY -0.00054 0.00077 -0.00147 0.00042 -0.00000 180 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.01558 181 3S 0.00104 -0.00184 -0.01416 -0.01160 0.00000 182 3PX -0.00053 0.00113 -0.01155 -0.00226 0.00000 183 3PY -0.00088 0.00203 -0.00844 0.00625 -0.00000 184 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.01345 185 4XX 0.00003 -0.00006 -0.00008 -0.00039 0.00000 186 4YY -0.00008 0.00016 -0.00027 0.00032 -0.00000 187 4ZZ 0.00001 -0.00004 0.00015 0.00001 -0.00000 188 4XY 0.00005 -0.00009 0.00004 0.00005 -0.00000 189 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00005 190 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00154 191 18 C 1S -0.00029 0.00070 -0.00076 0.00240 -0.00000 192 2S 0.00053 -0.00151 0.00084 -0.00565 0.00000 193 2PX 0.00098 -0.00286 0.00188 -0.01081 0.00000 194 2PY 0.00027 -0.00072 0.00083 -0.00075 0.00000 195 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.02224 196 3S 0.00445 -0.01044 0.03290 -0.01009 0.00000 197 3PX 0.00269 -0.00648 0.02310 -0.01137 0.00000 198 3PY -0.00100 0.00216 0.00551 0.01465 -0.00000 199 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.01956 200 4XX -0.00003 0.00008 0.00009 0.00022 -0.00000 201 4YY -0.00001 0.00002 -0.00003 0.00035 -0.00000 202 4ZZ -0.00001 -0.00002 -0.00005 -0.00000 -0.00000 203 4XY -0.00031 0.00068 -0.00061 0.00102 0.00000 204 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00190 205 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00072 206 19 H 1S -0.00085 0.00198 -0.00164 0.00477 -0.00000 207 2S -0.00196 0.00397 0.00519 0.01268 -0.00000 208 20 H 1S -0.00000 0.00023 -0.00025 -0.00103 0.00000 209 2S -0.00012 0.00048 -0.00327 -0.00209 0.00000 210 21 H 1S -0.00100 0.00217 -0.00224 0.00477 -0.00000 211 2S -0.00147 0.00306 0.00013 0.00808 -0.00000 212 22 H 1S -0.00176 0.00373 -0.00453 0.00718 -0.00000 213 2S -0.00139 0.00357 -0.00798 0.00987 -0.00000 214 23 H 1S 0.00757 -0.01770 0.01790 -0.02325 0.00000 215 2S 0.00166 -0.01192 -0.00573 -0.02239 0.00000 216 24 C 1S 0.00215 -0.00464 0.00708 0.00654 -0.00000 217 2S -0.00476 0.00991 -0.01349 -0.01344 0.00000 218 2PX -0.00645 0.01359 -0.01601 -0.01978 0.00000 219 2PY -0.00643 0.01229 -0.02091 -0.01712 0.00000 220 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.03356 221 3S -0.01231 0.02437 -0.06417 -0.04319 0.00000 222 3PX 0.00325 -0.00398 -0.04395 -0.00374 0.00000 223 3PY -0.00456 0.01256 -0.03864 -0.02277 0.00000 224 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.02729 225 4XX 0.00057 -0.00124 0.00185 0.00153 -0.00000 226 4YY -0.00036 0.00076 -0.00164 -0.00104 -0.00000 227 4ZZ 0.00005 -0.00017 0.00040 0.00027 -0.00000 228 4XY 0.00002 0.00004 0.00001 -0.00028 -0.00000 229 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00112 230 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00129 231 25 C 1S -0.00106 0.00194 -0.00309 -0.00268 0.00000 232 2S 0.00194 -0.00390 0.00732 0.00530 -0.00000 233 2PX 0.00387 -0.00825 0.01097 0.01339 -0.00000 234 2PY 0.00133 -0.00369 0.00288 0.00158 0.00000 235 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.01913 236 3S 0.00885 -0.01591 -0.00447 0.01448 -0.00000 237 3PX 0.00593 -0.01029 -0.00356 0.01552 -0.00000 238 3PY 0.00087 -0.00325 0.01484 0.00830 0.00000 239 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.01435 240 4XX 0.00011 -0.00016 -0.00020 0.00017 -0.00000 241 4YY -0.00015 0.00028 -0.00055 -0.00060 0.00000 242 4ZZ -0.00010 0.00014 -0.00005 -0.00022 0.00000 243 4XY -0.00017 0.00032 -0.00085 -0.00039 0.00000 244 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00147 245 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00062 246 26 C 1S 0.00036 -0.00081 0.00103 0.00089 -0.00000 247 2S -0.00069 0.00158 -0.00321 -0.00219 0.00000 248 2PX -0.00109 0.00274 -0.00305 -0.00292 0.00000 249 2PY -0.00134 0.00356 -0.00388 -0.00378 -0.00000 250 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.01215 251 3S -0.00175 0.00302 0.00790 0.00286 -0.00000 252 3PX -0.00195 0.00339 0.00526 -0.00107 0.00000 253 3PY 0.00039 -0.00030 -0.00253 0.00257 -0.00000 254 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00997 255 4XX 0.00012 -0.00026 0.00056 0.00052 -0.00000 256 4YY -0.00005 0.00011 -0.00005 -0.00020 0.00000 257 4ZZ 0.00003 -0.00008 -0.00007 0.00003 0.00000 258 4XY 0.00002 -0.00004 0.00032 0.00023 -0.00000 259 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00009 260 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00143 261 27 C 1S -0.00007 0.00008 0.00004 -0.00007 0.00000 262 2S 0.00015 -0.00026 0.00040 0.00051 -0.00000 263 2PX 0.00055 -0.00039 0.00121 0.00167 -0.00000 264 2PY -0.00009 0.00005 -0.00044 -0.00064 -0.00000 265 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.02646 266 3S 0.00137 -0.00203 -0.00484 -0.00067 0.00000 267 3PX -0.00003 0.00046 -0.00017 -0.00194 0.00000 268 3PY 0.00076 -0.00155 -0.00575 -0.00070 -0.00000 269 3PZ -0.00000 0.00000 0.00000 -0.00000 0.01845 270 4XX 0.00001 -0.00004 0.00010 -0.00002 0.00000 271 4YY -0.00005 0.00011 -0.00023 -0.00012 -0.00000 272 4ZZ -0.00000 -0.00001 0.00005 0.00005 -0.00000 273 4XY -0.00007 0.00015 -0.00010 -0.00020 0.00000 274 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00013 275 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00037 276 28 C 1S 0.00020 -0.00029 0.00036 0.00050 -0.00000 277 2S -0.00042 0.00051 -0.00143 -0.00130 0.00000 278 2PX -0.00073 0.00051 -0.00173 -0.00133 0.00000 279 2PY -0.00073 0.00138 -0.00137 -0.00213 -0.00000 280 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00938 281 3S -0.00210 0.00449 0.01261 0.00086 -0.00000 282 3PX -0.00104 0.00246 0.00203 -0.00393 0.00000 283 3PY -0.00134 0.00305 0.00560 -0.00179 -0.00000 284 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00782 285 4XX 0.00011 -0.00021 0.00022 0.00046 -0.00000 286 4YY -0.00005 0.00012 0.00003 -0.00024 0.00000 287 4ZZ 0.00000 -0.00002 -0.00008 -0.00002 0.00000 288 4XY 0.00007 -0.00013 0.00022 0.00030 0.00000 289 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00137 290 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00076 291 29 C 1S -0.00029 0.00053 -0.00025 -0.00099 0.00000 292 2S 0.00070 -0.00151 0.00081 0.00284 -0.00000 293 2PX 0.00246 -0.00532 0.00423 0.00945 -0.00000 294 2PY -0.00054 0.00210 -0.00218 -0.00310 0.00000 295 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.02224 296 3S 0.00007 0.00005 -0.00490 -0.00230 0.00000 297 3PX 0.00022 -0.00182 0.01287 0.00645 -0.00000 298 3PY -0.00188 0.00574 0.01300 -0.00242 0.00000 299 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.01629 300 4XX 0.00037 -0.00074 0.00058 0.00107 -0.00000 301 4YY -0.00031 0.00054 -0.00038 -0.00076 0.00000 302 4ZZ 0.00000 -0.00007 0.00004 0.00015 0.00000 303 4XY -0.00019 0.00030 -0.00050 -0.00036 0.00000 304 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00024 305 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00134 306 30 H 1S 0.00062 -0.00074 0.00084 0.00035 -0.00000 307 2S 0.00354 -0.00605 0.00396 0.01236 -0.00000 308 31 H 1S -0.00020 0.00008 -0.00058 -0.00059 0.00000 309 2S -0.00043 0.00075 -0.00021 -0.00178 0.00000 310 32 H 1S -0.00031 0.00055 -0.00095 -0.00087 0.00000 311 2S -0.00046 0.00093 -0.00303 -0.00224 0.00000 312 33 H 1S 0.00061 -0.00148 0.00206 0.00217 -0.00000 313 2S 0.00052 -0.00142 0.00549 0.00346 -0.00000 314 34 H 1S 0.00007 -0.00029 0.00067 -0.00017 0.00000 315 2S 0.00061 -0.00028 -0.00978 -0.00246 0.00000 36 37 38 39 40 36 3S 0.29448 37 3PX -0.02939 0.07236 38 3PY -0.00021 -0.00104 0.05959 39 3PZ -0.00000 0.00000 -0.00000 0.14447 40 4XX -0.00322 0.00337 -0.00210 0.00000 0.00103 41 4YY 0.00464 -0.00439 0.00410 -0.00000 -0.00078 42 4ZZ -0.01235 0.00125 -0.00048 0.00000 0.00025 43 4XY -0.00166 0.00085 -0.00425 0.00000 0.00027 44 4XZ 0.00000 -0.00000 0.00000 0.00343 -0.00000 45 4YZ 0.00000 0.00000 -0.00000 -0.00250 0.00000 46 4 C 1S 0.01183 -0.01341 0.00103 -0.00000 -0.00671 47 2S 0.01567 0.04275 -0.01792 0.00000 0.01192 48 2PX -0.09938 -0.09613 0.00059 -0.00000 -0.00453 49 2PY -0.06684 0.02326 0.03220 -0.00000 -0.00029 50 2PZ 0.00000 -0.00000 -0.00000 0.15708 0.00000 51 3S -0.03733 0.01627 -0.02406 0.00000 0.01100 52 3PX -0.00925 -0.01605 -0.00200 0.00000 -0.00121 53 3PY -0.02050 0.00976 0.01084 -0.00000 0.00054 54 3PZ 0.00000 -0.00000 -0.00000 0.09987 -0.00000 55 4XX 0.01056 0.00203 0.00149 -0.00000 -0.00012 56 4YY -0.00833 -0.00430 -0.00014 0.00000 -0.00005 57 4ZZ -0.00168 -0.00154 0.00069 -0.00000 -0.00048 58 4XY -0.00272 0.00226 -0.00398 0.00000 0.00039 59 4XZ 0.00000 -0.00000 0.00000 -0.00784 -0.00000 60 4YZ 0.00000 0.00000 -0.00000 -0.00033 0.00000 61 5 C 1S -0.00783 0.00612 0.00466 -0.00000 -0.00028 62 2S -0.00476 -0.02176 -0.00270 0.00000 0.00053 63 2PX 0.04899 0.05162 0.02625 -0.00000 -0.00307 64 2PY 0.03913 -0.01337 -0.00896 0.00000 0.00304 65 2PZ -0.00000 0.00000 0.00000 0.00645 -0.00000 66 3S 0.02389 -0.01355 0.01120 -0.00000 -0.00043 67 3PX 0.00343 0.00601 0.00733 -0.00000 -0.00127 68 3PY 0.00774 -0.01300 0.00557 -0.00000 -0.00059 69 3PZ -0.00000 0.00000 -0.00000 -0.00232 0.00000 70 4XX 0.00419 0.00482 0.00025 0.00000 0.00006 71 4YY -0.00305 -0.00172 -0.00053 -0.00000 0.00017 72 4ZZ -0.00017 0.00006 0.00041 -0.00000 -0.00011 73 4XY -0.00406 -0.00155 0.00139 -0.00000 -0.00038 74 4XZ 0.00000 0.00000 -0.00000 -0.00167 0.00000 75 4YZ 0.00000 0.00000 -0.00000 0.00818 -0.00000 76 6 C 1S 0.01997 0.00817 -0.00493 0.00000 0.00008 77 2S -0.02598 -0.01089 0.00224 -0.00000 -0.00020 78 2PX -0.00411 -0.01076 -0.00571 0.00000 -0.00115 79 2PY -0.06613 -0.01757 -0.00262 0.00000 -0.00114 80 2PZ 0.00000 0.00000 0.00000 -0.09778 0.00000 81 3S -0.06029 -0.02333 0.01992 -0.00000 -0.00032 82 3PX 0.00629 -0.00225 -0.00627 0.00000 -0.00127 83 3PY -0.03181 -0.01103 0.00096 0.00000 -0.00094 84 3PZ 0.00000 0.00000 0.00000 -0.07407 0.00000 85 4XX 0.00074 0.00176 0.00087 -0.00000 -0.00012 86 4YY 0.00103 -0.00182 -0.00128 0.00000 0.00011 87 4ZZ 0.00059 0.00043 0.00032 -0.00000 -0.00001 88 4XY -0.00002 -0.00193 0.00018 -0.00000 0.00009 89 4XZ 0.00000 0.00000 -0.00000 0.00190 -0.00000 90 4YZ -0.00000 0.00000 0.00000 0.00098 -0.00000 91 7 C 1S 0.00297 -0.00927 0.00127 -0.00000 0.00142 92 2S -0.02310 0.01593 0.00724 -0.00000 -0.00289 93 2PX 0.01796 -0.00670 -0.00231 0.00000 0.00254 94 2PY -0.06015 0.04459 -0.00114 0.00000 -0.00619 95 2PZ 0.00000 -0.00000 0.00000 -0.05372 0.00000 96 3S -0.02686 0.03293 0.01576 -0.00000 -0.00440 97 3PX 0.03293 -0.00213 -0.01833 0.00000 0.00058 98 3PY -0.01576 0.01833 -0.00282 0.00000 -0.00181 99 3PZ 0.00000 -0.00000 0.00000 -0.04731 0.00000 100 4XX -0.00440 0.00058 0.00181 -0.00000 0.00013 101 4YY 0.00712 -0.00175 -0.00379 -0.00000 -0.00000 102 4ZZ 0.00032 -0.00086 0.00040 -0.00000 0.00009 103 4XY 0.00121 -0.00214 -0.00051 0.00000 0.00017 104 4XZ -0.00000 0.00000 0.00000 -0.00563 -0.00000 105 4YZ -0.00000 0.00000 0.00000 0.00459 -0.00000 106 8 H 1S 0.02612 -0.01881 -0.00171 0.00000 0.00173 107 2S 0.04487 -0.02455 -0.01917 0.00000 0.00243 108 9 H 1S 0.02139 0.00226 -0.00114 0.00000 0.00004 109 2S 0.01692 0.00386 -0.00231 0.00000 -0.00021 110 10 H 1S 0.03261 0.03072 0.01292 -0.00000 -0.00117 111 2S 0.02937 0.03783 0.00726 -0.00000 -0.00019 112 11 H 1S -0.06327 -0.00161 0.00111 -0.00000 0.00328 113 2S -0.05138 -0.01362 -0.00403 0.00000 0.00043 114 12 H 1S 0.09383 -0.06060 0.08121 -0.00000 -0.00775 115 2S 0.00090 -0.03579 0.05754 -0.00000 -0.00618 116 13 C 1S 0.00492 -0.00178 -0.00291 0.00000 0.00016 117 2S -0.00679 0.00254 0.00568 -0.00000 -0.00055 118 2PX -0.02146 -0.01030 0.01092 -0.00000 -0.00053 119 2PY 0.01132 -0.03067 -0.00116 0.00000 0.00092 120 2PZ -0.00000 0.00000 0.00000 -0.01848 -0.00000 121 3S -0.03321 0.03180 0.01447 -0.00000 -0.00063 122 3PX -0.02860 0.02585 0.00810 -0.00000 0.00170 123 3PY 0.01611 -0.00656 -0.00750 0.00000 0.00111 124 3PZ -0.00000 0.00000 0.00000 -0.01413 -0.00000 125 4XX -0.00260 -0.00048 -0.00118 0.00000 0.00020 126 4YY 0.00222 0.00055 0.00088 0.00000 -0.00011 127 4ZZ 0.00047 -0.00035 -0.00016 0.00000 -0.00002 128 4XY -0.00002 -0.00173 -0.00242 0.00000 -0.00003 129 4XZ -0.00000 0.00000 0.00000 0.00140 0.00000 130 4YZ -0.00000 -0.00000 -0.00000 -0.00076 0.00000 131 14 C 1S 0.00790 0.00026 0.01270 -0.00000 -0.00073 132 2S -0.01412 -0.00306 -0.02270 0.00000 0.00126 133 2PX -0.08458 -0.02747 -0.07157 0.00000 0.00240 134 2PY 0.02522 0.04475 0.01038 -0.00000 0.00018 135 2PZ -0.00000 -0.00000 -0.00000 -0.00618 -0.00000 136 3S -0.02529 0.00216 -0.03276 0.00000 0.00213 137 3PX -0.02945 -0.00994 -0.03131 0.00000 0.00113 138 3PY -0.01451 0.04472 -0.00220 0.00000 0.00252 139 3PZ 0.00000 -0.00000 -0.00000 0.00397 -0.00000 140 4XX -0.00444 -0.00128 -0.00428 0.00000 0.00019 141 4YY 0.00191 0.00146 0.00230 -0.00000 -0.00006 142 4ZZ 0.00070 0.00059 0.00083 -0.00000 -0.00003 143 4XY -0.00241 -0.00112 -0.00210 0.00000 0.00010 144 4XZ 0.00000 0.00000 0.00000 0.00077 -0.00000 145 4YZ -0.00000 -0.00000 -0.00000 0.00067 0.00000 146 15 C 1S -0.00900 -0.00785 -0.00467 0.00000 0.00010 147 2S 0.01613 0.01462 0.01236 -0.00000 -0.00022 148 2PX 0.03701 0.03483 0.02189 -0.00000 -0.00026 149 2PY -0.03165 -0.02840 -0.01854 0.00000 0.00018 150 2PZ 0.00000 0.00000 0.00000 0.00922 -0.00000 151 3S 0.03960 -0.01143 0.02300 -0.00000 -0.00257 152 3PX 0.01310 0.00496 0.00781 -0.00000 -0.00065 153 3PY -0.01640 0.00356 -0.00857 0.00000 0.00108 154 3PZ 0.00000 -0.00000 0.00000 0.00221 -0.00000 155 4XX -0.00311 -0.00158 -0.00257 0.00000 0.00007 156 4YY 0.00258 0.00074 0.00176 -0.00000 -0.00006 157 4ZZ -0.00074 -0.00032 -0.00042 -0.00000 0.00002 158 4XY 0.00088 -0.00010 0.00125 -0.00000 -0.00005 159 4XZ -0.00000 -0.00000 -0.00000 -0.00077 0.00000 160 4YZ -0.00000 -0.00000 -0.00000 0.00042 0.00000 161 16 C 1S 0.00609 0.00339 0.00359 -0.00000 -0.00004 162 2S -0.01102 -0.00646 -0.00730 0.00000 0.00010 163 2PX -0.02910 -0.02528 -0.01800 0.00000 0.00032 164 2PY -0.00645 -0.00945 -0.00391 -0.00000 -0.00017 165 2PZ 0.00000 0.00000 -0.00000 0.01658 0.00000 166 3S -0.02231 0.00293 -0.01106 0.00000 0.00094 167 3PX -0.01605 -0.00902 -0.00956 0.00000 0.00025 168 3PY -0.00020 -0.01386 -0.00449 -0.00000 -0.00062 169 3PZ -0.00000 0.00000 -0.00000 0.01265 0.00000 170 4XX 0.00009 0.00015 0.00023 -0.00000 -0.00001 171 4YY 0.00089 0.00054 0.00066 -0.00000 -0.00001 172 4ZZ 0.00024 -0.00003 0.00003 0.00000 -0.00001 173 4XY -0.00098 -0.00034 -0.00063 0.00000 0.00003 174 4XZ 0.00000 0.00000 0.00000 0.00030 -0.00000 175 4YZ -0.00000 -0.00000 -0.00000 -0.00016 0.00000 176 17 C 1S 0.00041 0.00025 -0.00129 0.00000 -0.00002 177 2S -0.00193 -0.00040 0.00306 -0.00000 0.00001 178 2PX 0.00267 -0.00320 0.00037 -0.00000 -0.00000 179 2PY 0.01101 0.01920 0.00347 -0.00000 0.00026 180 2PZ -0.00000 -0.00000 -0.00000 0.00450 -0.00000 181 3S 0.00134 -0.00939 -0.00871 0.00000 -0.00031 182 3PX 0.00532 -0.00687 -0.00388 0.00000 -0.00044 183 3PY 0.00469 0.00134 0.00315 -0.00000 -0.00033 184 3PZ -0.00000 -0.00000 -0.00000 0.00465 0.00000 185 4XX -0.00046 -0.00042 -0.00047 0.00000 0.00002 186 4YY 0.00044 0.00001 0.00018 -0.00000 -0.00002 187 4ZZ -0.00011 0.00016 -0.00013 -0.00000 0.00000 188 4XY -0.00035 0.00025 -0.00002 0.00000 -0.00001 189 4XZ 0.00000 -0.00000 -0.00000 0.00001 0.00000 190 4YZ -0.00000 -0.00000 -0.00000 0.00101 0.00000 191 18 C 1S 0.00007 0.00152 0.00113 -0.00000 -0.00028 192 2S 0.00005 -0.00406 -0.00445 0.00000 0.00045 193 2PX 0.00444 0.00982 -0.00821 0.00000 0.00076 194 2PY -0.00310 -0.01476 0.00062 0.00000 -0.00016 195 2PZ 0.00000 0.00000 0.00000 -0.01629 0.00000 196 3S -0.01765 0.01386 -0.00015 0.00000 0.00213 197 3PX -0.00716 0.01190 -0.00513 0.00000 0.00161 198 3PY -0.00373 -0.00384 0.00896 0.00000 -0.00036 199 3PZ 0.00000 0.00000 0.00000 -0.01466 0.00000 200 4XX 0.00011 0.00023 0.00019 -0.00000 0.00000 201 4YY 0.00015 0.00020 0.00044 -0.00000 -0.00002 202 4ZZ -0.00030 -0.00003 -0.00006 -0.00000 -0.00001 203 4XY 0.00109 -0.00033 0.00064 -0.00000 0.00001 204 4XZ -0.00000 0.00000 -0.00000 -0.00084 -0.00000 205 4YZ 0.00000 -0.00000 -0.00000 0.00031 0.00000 206 19 H 1S 0.00302 0.00113 0.00229 -0.00000 0.00003 207 2S 0.00322 0.00251 0.00687 -0.00000 0.00009 208 20 H 1S -0.00372 -0.00017 -0.00086 0.00000 0.00006 209 2S -0.00246 -0.00261 -0.00340 0.00000 0.00002 210 21 H 1S 0.00415 0.00209 0.00309 -0.00000 -0.00021 211 2S 0.00779 0.00659 0.00726 -0.00000 -0.00017 212 22 H 1S 0.00670 0.00164 0.00636 -0.00000 -0.00029 213 2S 0.00573 -0.00287 0.00598 -0.00000 -0.00039 214 23 H 1S -0.04657 -0.02772 -0.04106 0.00000 0.00065 215 2S -0.02646 -0.02411 -0.02960 0.00000 0.00029 216 24 C 1S -0.01168 0.00347 0.00461 -0.00000 0.00040 217 2S 0.02533 -0.00740 -0.01042 0.00000 -0.00083 218 2PX 0.02431 -0.02544 -0.00854 0.00000 -0.00145 219 2PY 0.05493 -0.01041 -0.02900 0.00000 -0.00160 220 2PZ -0.00000 0.00000 0.00000 -0.02942 0.00000 221 3S 0.05756 -0.04068 -0.02690 0.00000 -0.00187 222 3PX 0.01439 -0.02183 -0.00453 0.00000 -0.00041 223 3PY 0.02135 -0.02587 -0.01219 0.00000 -0.00113 224 3PZ -0.00000 0.00000 0.00000 -0.02299 0.00000 225 4XX -0.00294 0.00124 0.00098 -0.00000 0.00016 226 4YY 0.00202 -0.00110 -0.00070 -0.00000 -0.00011 227 4ZZ -0.00080 0.00027 0.00037 -0.00000 0.00002 228 4XY 0.00127 -0.00077 -0.00074 0.00000 0.00008 229 4XZ -0.00000 0.00000 0.00000 0.00065 -0.00000 230 4YZ -0.00000 0.00000 -0.00000 0.00096 0.00000 231 25 C 1S 0.00885 -0.00372 -0.00470 0.00000 -0.00021 232 2S -0.01591 0.00796 0.00729 -0.00000 0.00041 233 2PX -0.01030 0.01848 0.00279 -0.00000 0.00116 234 2PY 0.01111 0.00211 -0.01374 0.00000 0.00060 235 2PZ -0.00000 -0.00000 0.00000 -0.01435 -0.00000 236 3S -0.02456 0.00210 0.00801 -0.00000 0.00122 237 3PX -0.00798 0.00729 0.00557 -0.00000 0.00062 238 3PY 0.00218 0.01210 -0.00291 0.00000 0.00021 239 3PZ -0.00000 -0.00000 0.00000 -0.01044 -0.00000 240 4XX 0.00011 0.00005 -0.00001 0.00000 0.00001 241 4YY 0.00064 -0.00063 -0.00040 0.00000 -0.00004 242 4ZZ 0.00048 -0.00020 -0.00025 0.00000 -0.00001 243 4XY 0.00095 -0.00005 -0.00017 0.00000 -0.00007 244 4XZ -0.00000 0.00000 0.00000 -0.00129 0.00000 245 4YZ -0.00000 0.00000 0.00000 -0.00056 0.00000 246 26 C 1S 0.00082 0.00166 -0.00156 0.00000 0.00014 247 2S -0.00039 -0.00341 0.00233 -0.00000 -0.00029 248 2PX -0.00160 0.00011 0.00199 -0.00000 -0.00056 249 2PY -0.01230 -0.00485 0.01310 -0.00000 -0.00064 250 2PZ 0.00000 0.00000 -0.00000 0.01178 0.00000 251 3S 0.00333 0.00830 0.00281 -0.00000 -0.00055 252 3PX 0.00160 0.00478 0.00025 0.00000 -0.00034 253 3PY -0.00151 -0.00017 0.00451 -0.00000 -0.00031 254 3PZ 0.00000 0.00000 -0.00000 0.00926 0.00000 255 4XX -0.00092 0.00052 0.00062 -0.00000 0.00004 256 4YY 0.00033 -0.00014 -0.00032 0.00000 -0.00002 257 4ZZ 0.00016 0.00001 -0.00021 0.00000 0.00001 258 4XY -0.00060 0.00021 0.00050 -0.00000 0.00000 259 4XZ 0.00000 -0.00000 -0.00000 0.00012 -0.00000 260 4YZ -0.00000 0.00000 0.00000 -0.00116 0.00000 261 27 C 1S 0.00149 -0.00115 -0.00084 0.00000 0.00002 262 2S -0.00309 0.00259 0.00163 -0.00000 -0.00007 263 2PX -0.02128 0.00370 0.01602 -0.00000 -0.00017 264 2PY 0.00485 0.00101 -0.00486 -0.00000 -0.00000 265 2PZ -0.00000 -0.00000 -0.00000 0.02255 -0.00000 266 3S -0.00420 -0.00076 0.00105 -0.00000 -0.00007 267 3PX -0.00921 0.00083 0.00583 -0.00000 -0.00009 268 3PY 0.00280 -0.00398 -0.00277 -0.00000 0.00009 269 3PZ -0.00000 0.00000 -0.00000 0.01560 -0.00000 270 4XX 0.00002 -0.00008 -0.00003 0.00000 0.00002 271 4YY 0.00047 -0.00025 -0.00021 -0.00000 -0.00002 272 4ZZ 0.00005 0.00001 -0.00003 -0.00000 -0.00000 273 4XY 0.00023 -0.00020 -0.00007 0.00000 -0.00001 274 4XZ -0.00000 0.00000 0.00000 0.00005 0.00000 275 4YZ -0.00000 0.00000 0.00000 0.00037 0.00000 276 28 C 1S -0.00580 0.00118 0.00396 -0.00000 -0.00002 277 2S 0.01075 -0.00358 -0.00744 0.00000 0.00007 278 2PX 0.02716 -0.00500 -0.01988 0.00000 0.00010 279 2PY 0.01247 -0.00329 -0.00892 0.00000 -0.00009 280 2PZ -0.00000 0.00000 0.00000 0.00720 0.00000 281 3S 0.01469 0.00105 -0.00859 0.00000 -0.00008 282 3PX 0.00885 -0.00162 -0.00731 0.00000 -0.00005 283 3PY 0.00593 0.00144 -0.00361 -0.00000 -0.00012 284 3PZ -0.00000 -0.00000 -0.00000 0.00628 0.00000 285 4XX -0.00130 0.00080 0.00079 -0.00000 -0.00002 286 4YY 0.00088 -0.00040 -0.00059 0.00000 0.00002 287 4ZZ -0.00033 0.00000 0.00025 0.00000 -0.00000 288 4XY -0.00053 0.00044 0.00026 0.00000 -0.00002 289 4XZ 0.00000 -0.00000 0.00000 -0.00117 0.00000 290 4YZ -0.00000 0.00000 0.00000 -0.00064 -0.00000 291 29 C 1S 0.00445 -0.00221 -0.00183 0.00000 0.00022 292 2S -0.01044 0.00511 0.00453 -0.00000 -0.00048 293 2PX -0.02519 0.01930 0.01356 -0.00000 -0.00062 294 2PY -0.02345 -0.00332 0.01845 -0.00000 -0.00017 295 2PZ 0.00000 0.00000 -0.00000 -0.01956 0.00000 296 3S -0.01765 0.00035 0.00807 -0.00000 -0.00067 297 3PX -0.00706 0.01358 0.00415 -0.00000 -0.00031 298 3PY -0.01193 0.00287 0.00728 0.00000 -0.00034 299 3PZ 0.00000 -0.00000 0.00000 -0.01466 0.00000 300 4XX -0.00271 0.00166 0.00140 -0.00000 0.00001 301 4YY 0.00212 -0.00115 -0.00121 0.00000 -0.00003 302 4ZZ 0.00051 -0.00017 -0.00026 0.00000 0.00001 303 4XY 0.00162 -0.00089 -0.00087 0.00000 -0.00001 304 4XZ -0.00000 0.00000 0.00000 0.00017 0.00000 305 4YZ -0.00000 0.00000 0.00000 -0.00117 0.00000 306 30 H 1S -0.01710 0.01232 0.00992 -0.00000 -0.00010 307 2S -0.02291 0.01193 0.01120 -0.00000 -0.00024 308 31 H 1S 0.00728 -0.00223 -0.00504 0.00000 0.00015 309 2S 0.00475 -0.00160 -0.00292 0.00000 0.00016 310 32 H 1S 0.00378 -0.00169 -0.00206 0.00000 -0.00002 311 2S 0.00497 -0.00392 -0.00260 0.00000 -0.00003 312 33 H 1S -0.00205 0.00031 0.00169 -0.00000 0.00029 313 2S -0.00401 0.00357 0.00255 -0.00000 0.00035 314 34 H 1S 0.00233 -0.00255 -0.00362 0.00000 0.00013 315 2S 0.00429 -0.00747 -0.00271 0.00000 -0.00001 41 42 43 44 45 41 4YY 0.00171 42 4ZZ -0.00010 0.00094 43 4XY -0.00046 0.00009 0.00129 44 4XZ 0.00000 -0.00000 -0.00000 0.00067 45 4YZ -0.00000 -0.00000 0.00000 0.00024 0.00030 46 4 C 1S 0.00304 0.00186 -0.00024 -0.00000 -0.00000 47 2S -0.00729 -0.00429 0.00022 0.00000 0.00000 48 2PX 0.01119 0.00608 0.00192 -0.00000 -0.00000 49 2PY 0.00016 0.00103 0.01401 -0.00000 -0.00000 50 2PZ -0.00000 -0.00000 -0.00000 0.01305 0.00104 51 3S -0.00897 -0.00184 0.00197 -0.00000 0.00000 52 3PX 0.00361 0.00145 0.00140 -0.00000 -0.00000 53 3PY 0.00042 0.00002 0.00377 -0.00000 -0.00000 54 3PZ -0.00000 -0.00000 -0.00000 0.00873 0.00116 55 4XX -0.00003 -0.00049 -0.00013 0.00000 0.00000 56 4YY 0.00041 0.00028 0.00032 0.00000 -0.00000 57 4ZZ 0.00025 0.00029 -0.00000 0.00000 -0.00000 58 4XY -0.00060 0.00004 0.00119 -0.00000 0.00000 59 4XZ 0.00000 -0.00000 -0.00000 -0.00001 0.00020 60 4YZ -0.00000 -0.00000 -0.00000 -0.00035 -0.00004 61 5 C 1S -0.00040 0.00010 0.00193 -0.00000 0.00000 62 2S 0.00140 0.00014 -0.00413 0.00000 -0.00000 63 2PX -0.00139 0.00026 0.00540 -0.00000 0.00000 64 2PY 0.00188 -0.00054 -0.00836 0.00000 -0.00000 65 2PZ -0.00000 -0.00000 0.00000 0.01080 0.00216 66 3S 0.00160 -0.00037 -0.00488 0.00000 -0.00000 67 3PX -0.00002 0.00039 0.00154 -0.00000 -0.00000 68 3PY 0.00297 -0.00023 -0.00361 -0.00000 -0.00000 69 3PZ -0.00000 -0.00000 -0.00000 0.00693 0.00182 70 4XX -0.00039 -0.00014 -0.00003 0.00000 0.00000 71 4YY 0.00011 0.00005 0.00024 -0.00000 -0.00000 72 4ZZ 0.00002 0.00004 0.00015 -0.00000 -0.00000 73 4XY 0.00029 0.00014 0.00036 -0.00000 -0.00000 74 4XZ -0.00000 -0.00000 -0.00000 -0.00031 0.00004 75 4YZ -0.00000 -0.00000 -0.00000 0.00039 0.00009 76 6 C 1S -0.00039 -0.00026 -0.00012 0.00000 0.00000 77 2S 0.00072 0.00026 0.00058 -0.00000 -0.00000 78 2PX 0.00049 0.00053 0.00250 -0.00000 -0.00000 79 2PY 0.00150 0.00030 0.00101 -0.00000 -0.00000 80 2PZ 0.00000 0.00000 -0.00000 0.00080 -0.00171 81 3S 0.00188 0.00123 -0.00053 0.00000 -0.00000 82 3PX 0.00117 -0.00016 0.00216 -0.00000 -0.00000 83 3PY 0.00135 0.00042 0.00018 -0.00000 -0.00000 84 3PZ -0.00000 0.00000 -0.00000 0.00031 -0.00071 85 4XX 0.00003 -0.00001 0.00011 -0.00000 -0.00000 86 4YY 0.00004 -0.00002 -0.00031 -0.00000 -0.00000 87 4ZZ -0.00001 0.00001 0.00003 -0.00000 -0.00000 88 4XY -0.00034 0.00004 0.00020 -0.00000 0.00000 89 4XZ -0.00000 -0.00000 -0.00000 0.00046 0.00031 90 4YZ -0.00000 -0.00000 0.00000 0.00038 0.00005 91 7 C 1S -0.00251 0.00013 0.00053 -0.00000 0.00000 92 2S 0.00558 -0.00004 -0.00150 0.00000 -0.00000 93 2PX -0.00446 -0.00063 0.00052 -0.00000 0.00000 94 2PY 0.01259 -0.00063 -0.00212 0.00000 -0.00000 95 2PZ -0.00000 0.00000 0.00000 -0.00771 -0.00714 96 3S 0.00712 0.00032 -0.00121 0.00000 -0.00000 97 3PX -0.00175 -0.00086 0.00214 -0.00000 0.00000 98 3PY 0.00379 -0.00040 -0.00051 0.00000 -0.00000 99 3PZ 0.00000 0.00000 0.00000 -0.00563 -0.00459 100 4XX -0.00000 0.00009 -0.00017 0.00000 -0.00000 101 4YY -0.00016 -0.00020 0.00050 -0.00000 0.00000 102 4ZZ -0.00020 0.00006 -0.00002 0.00000 0.00000 103 4XY -0.00050 0.00002 0.00005 -0.00000 0.00000 104 4XZ 0.00000 -0.00000 -0.00000 0.00023 0.00014 105 4YZ 0.00000 0.00000 -0.00000 -0.00014 -0.00028 106 8 H 1S -0.00430 0.00015 0.00146 -0.00000 0.00000 107 2S -0.00554 -0.00059 0.00306 -0.00000 0.00000 108 9 H 1S 0.00053 0.00001 -0.00066 0.00000 -0.00000 109 2S 0.00124 -0.00002 -0.00193 0.00000 -0.00000 110 10 H 1S -0.00124 -0.00013 0.00128 -0.00000 0.00000 111 2S -0.00236 -0.00044 0.00161 -0.00000 0.00000 112 11 H 1S -0.00014 0.00082 0.00953 -0.00000 0.00000 113 2S 0.00068 0.00133 0.00857 -0.00000 -0.00000 114 12 H 1S 0.01355 -0.00634 -0.01120 0.00000 -0.00000 115 2S 0.01121 -0.00182 -0.01005 0.00000 -0.00000 116 13 C 1S -0.00039 -0.00012 0.00039 -0.00000 0.00000 117 2S 0.00098 0.00017 -0.00089 0.00000 -0.00000 118 2PX 0.00100 0.00041 -0.00111 0.00000 -0.00000 119 2PY -0.00094 -0.00003 0.00095 -0.00000 0.00000 120 2PZ -0.00000 -0.00000 -0.00000 -0.00019 0.00157 121 3S 0.00072 0.00072 -0.00128 0.00000 -0.00000 122 3PX -0.00191 0.00098 0.00092 -0.00000 0.00000 123 3PY -0.00117 0.00018 0.00137 -0.00000 0.00000 124 3PZ -0.00000 -0.00000 -0.00000 0.00024 0.00132 125 4XX -0.00027 0.00001 0.00013 -0.00000 0.00000 126 4YY 0.00017 -0.00001 -0.00010 -0.00000 -0.00000 127 4ZZ 0.00002 -0.00001 0.00001 -0.00000 -0.00000 128 4XY -0.00011 0.00000 0.00006 0.00000 0.00000 129 4XZ 0.00000 0.00000 0.00000 -0.00012 -0.00008 130 4YZ -0.00000 -0.00000 0.00000 0.00012 0.00013 131 14 C 1S 0.00135 -0.00024 -0.00032 0.00000 -0.00000 132 2S -0.00276 0.00040 0.00080 -0.00000 0.00000 133 2PX -0.00690 0.00075 0.00236 -0.00000 0.00000 134 2PY 0.00033 -0.00023 0.00001 -0.00000 -0.00000 135 2PZ -0.00000 -0.00000 -0.00000 0.00020 0.00177 136 3S -0.00466 0.00070 0.00197 -0.00000 0.00000 137 3PX -0.00293 0.00043 0.00153 -0.00000 0.00000 138 3PY -0.00335 0.00093 0.00182 -0.00000 0.00000 139 3PZ 0.00000 -0.00000 -0.00000 0.00019 0.00100 140 4XX -0.00045 0.00005 0.00018 -0.00000 0.00000 141 4YY 0.00019 0.00001 -0.00005 0.00000 -0.00000 142 4ZZ 0.00008 0.00000 0.00001 0.00000 -0.00000 143 4XY -0.00023 0.00006 0.00011 -0.00000 0.00000 144 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00005 145 4YZ -0.00000 0.00000 0.00000 -0.00001 -0.00003 146 15 C 1S -0.00054 0.00003 0.00017 -0.00000 0.00000 147 2S 0.00095 -0.00010 -0.00030 0.00000 -0.00000 148 2PX 0.00130 -0.00017 -0.00056 0.00000 -0.00000 149 2PY -0.00133 0.00024 0.00057 -0.00000 0.00000 150 2PZ 0.00000 -0.00000 -0.00000 -0.00054 0.00025 151 3S 0.00469 -0.00094 -0.00197 0.00000 -0.00000 152 3PX 0.00114 -0.00025 -0.00068 0.00000 -0.00000 153 3PY -0.00197 0.00042 0.00092 -0.00000 0.00000 154 3PZ 0.00000 -0.00000 -0.00000 -0.00035 0.00024 155 4XX -0.00022 0.00002 0.00008 -0.00000 0.00000 156 4YY 0.00017 -0.00002 -0.00008 0.00000 -0.00000 157 4ZZ -0.00005 0.00001 0.00002 0.00000 0.00000 158 4XY 0.00012 -0.00001 -0.00005 0.00000 -0.00000 159 4XZ -0.00000 -0.00000 0.00000 0.00003 0.00008 160 4YZ -0.00000 0.00000 0.00000 -0.00001 -0.00007 161 16 C 1S 0.00026 -0.00005 -0.00011 0.00000 -0.00000 162 2S -0.00054 0.00007 0.00016 -0.00000 0.00000 163 2PX -0.00113 0.00015 0.00060 -0.00000 0.00000 164 2PY 0.00011 0.00005 0.00034 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 -0.00072 -0.00113 166 3S -0.00194 0.00041 0.00072 -0.00000 0.00000 167 3PX -0.00082 0.00012 0.00032 -0.00000 0.00000 168 3PY 0.00067 -0.00020 -0.00020 0.00000 -0.00000 169 3PZ 0.00000 0.00000 0.00000 -0.00058 -0.00089 170 4XX 0.00003 0.00000 -0.00000 0.00000 -0.00000 171 4YY 0.00004 -0.00000 -0.00001 0.00000 -0.00000 172 4ZZ 0.00002 -0.00000 -0.00001 0.00000 -0.00000 173 4XY -0.00008 0.00001 0.00002 -0.00000 0.00000 174 4XZ 0.00000 -0.00000 -0.00000 -0.00002 0.00002 175 4YZ -0.00000 -0.00000 0.00000 -0.00001 0.00002 176 17 C 1S 0.00004 -0.00001 0.00003 -0.00000 -0.00000 177 2S -0.00009 0.00003 -0.00006 0.00000 0.00000 178 2PX -0.00000 -0.00004 -0.00008 0.00000 0.00000 179 2PY -0.00021 -0.00004 -0.00024 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00022 -0.00076 181 3S 0.00002 -0.00015 0.00001 -0.00000 0.00000 182 3PX 0.00046 -0.00020 -0.00023 0.00000 -0.00000 183 3PY 0.00050 -0.00015 -0.00041 0.00000 -0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00010 -0.00064 185 4XX -0.00004 -0.00000 0.00003 -0.00000 0.00000 186 4YY 0.00003 -0.00000 -0.00002 0.00000 0.00000 187 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 -0.00002 0.00000 -0.00000 189 4XZ -0.00000 -0.00000 0.00000 0.00001 0.00000 190 4YZ 0.00000 0.00000 0.00000 -0.00006 -0.00006 191 18 C 1S 0.00035 0.00000 -0.00024 0.00000 -0.00000 192 2S -0.00065 -0.00007 0.00049 -0.00000 0.00000 193 2PX -0.00112 -0.00015 0.00075 -0.00000 0.00000 194 2PY 0.00017 -0.00005 0.00017 -0.00000 -0.00000 195 2PZ -0.00000 -0.00000 -0.00000 0.00104 0.00088 196 3S -0.00272 0.00051 0.00160 -0.00000 0.00000 197 3PX -0.00202 0.00031 0.00123 -0.00000 0.00000 198 3PY 0.00071 -0.00002 -0.00040 -0.00000 -0.00000 199 3PZ -0.00000 -0.00000 -0.00000 0.00092 0.00073 200 4XX 0.00001 0.00001 0.00000 -0.00000 -0.00000 201 4YY 0.00004 0.00000 -0.00003 0.00000 -0.00000 202 4ZZ 0.00001 0.00000 -0.00001 -0.00000 0.00000 203 4XY 0.00003 -0.00001 -0.00002 0.00000 -0.00000 204 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00008 205 4YZ -0.00000 0.00000 0.00000 0.00001 -0.00003 206 19 H 1S 0.00014 0.00004 -0.00020 0.00000 -0.00000 207 2S 0.00035 0.00007 -0.00030 0.00000 -0.00000 208 20 H 1S -0.00016 0.00002 0.00011 -0.00000 0.00000 209 2S -0.00014 -0.00005 0.00012 -0.00000 0.00000 210 21 H 1S 0.00040 -0.00002 -0.00002 0.00000 -0.00000 211 2S 0.00055 -0.00002 -0.00011 0.00000 -0.00000 212 22 H 1S 0.00058 -0.00003 -0.00024 0.00000 -0.00000 213 2S 0.00075 -0.00007 -0.00039 0.00000 -0.00000 214 23 H 1S -0.00303 -0.00017 -0.00014 0.00000 0.00000 215 2S -0.00195 -0.00014 0.00023 -0.00000 0.00000 216 24 C 1S -0.00006 0.00010 0.00002 0.00000 -0.00000 217 2S 0.00015 -0.00026 0.00006 -0.00000 0.00000 218 2PX 0.00030 -0.00033 0.00003 -0.00000 -0.00000 219 2PY 0.00099 -0.00047 -0.00009 -0.00000 -0.00000 220 2PZ -0.00000 -0.00000 -0.00000 0.00119 0.00125 221 3S 0.00093 -0.00110 0.00061 -0.00000 -0.00000 222 3PX 0.00065 0.00003 0.00023 -0.00000 -0.00000 223 3PY 0.00042 -0.00053 0.00035 -0.00000 -0.00000 224 3PZ -0.00000 -0.00000 -0.00000 0.00110 0.00109 225 4XX -0.00010 0.00004 0.00001 -0.00000 0.00000 226 4YY 0.00008 -0.00002 -0.00002 0.00000 0.00000 227 4ZZ -0.00000 0.00000 0.00001 0.00000 0.00000 228 4XY -0.00010 0.00001 0.00003 0.00000 0.00000 229 4XZ 0.00000 0.00000 0.00000 -0.00013 -0.00009 230 4YZ 0.00000 0.00000 0.00000 -0.00018 -0.00012 231 25 C 1S 0.00017 -0.00010 0.00005 -0.00000 -0.00000 232 2S -0.00029 0.00014 -0.00006 0.00000 0.00000 233 2PX -0.00041 0.00022 -0.00004 0.00000 0.00000 234 2PY -0.00016 -0.00007 0.00031 -0.00000 -0.00000 235 2PZ -0.00000 -0.00000 -0.00000 0.00128 0.00096 236 3S -0.00047 0.00048 0.00021 -0.00000 0.00000 237 3PX 0.00002 0.00032 -0.00025 0.00000 -0.00000 238 3PY 0.00008 0.00005 -0.00022 -0.00000 -0.00000 239 3PZ -0.00000 -0.00000 -0.00000 0.00113 0.00083 240 4XX -0.00000 0.00000 0.00001 -0.00000 0.00000 241 4YY 0.00002 -0.00001 0.00000 -0.00000 -0.00000 242 4ZZ 0.00001 -0.00001 0.00000 -0.00000 -0.00000 243 4XY 0.00005 -0.00001 -0.00001 -0.00000 -0.00000 244 4XZ -0.00000 -0.00000 -0.00000 0.00007 0.00007 245 4YZ -0.00000 -0.00000 -0.00000 0.00002 0.00002 246 26 C 1S -0.00006 0.00002 0.00002 -0.00000 0.00000 247 2S 0.00013 -0.00003 -0.00005 0.00000 -0.00000 248 2PX 0.00021 0.00000 -0.00027 0.00000 -0.00000 249 2PY 0.00016 0.00003 -0.00015 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 -0.00053 -0.00053 251 3S 0.00041 -0.00006 -0.00042 0.00000 -0.00000 252 3PX 0.00014 -0.00007 -0.00022 0.00000 -0.00000 253 3PY 0.00026 0.00005 -0.00021 0.00000 -0.00000 254 3PZ 0.00000 0.00000 0.00000 -0.00048 -0.00047 255 4XX -0.00002 0.00001 0.00000 0.00000 0.00000 256 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 257 4ZZ -0.00000 0.00000 0.00001 -0.00000 -0.00000 258 4XY -0.00001 0.00001 -0.00001 0.00000 -0.00000 259 4XZ 0.00000 -0.00000 0.00000 0.00001 0.00000 260 4YZ -0.00000 -0.00000 -0.00000 0.00008 0.00006 261 27 C 1S -0.00002 -0.00001 0.00003 -0.00000 0.00000 262 2S 0.00007 0.00001 -0.00007 0.00000 -0.00000 263 2PX 0.00002 0.00010 -0.00018 0.00000 -0.00000 264 2PY 0.00001 -0.00004 -0.00003 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 -0.00126 -0.00105 266 3S 0.00014 0.00001 -0.00004 0.00000 -0.00000 267 3PX -0.00001 -0.00000 -0.00003 0.00000 0.00000 268 3PY 0.00002 -0.00001 0.00005 0.00000 0.00000 269 3PZ 0.00000 0.00000 0.00000 -0.00105 -0.00084 270 4XX -0.00002 -0.00000 0.00001 -0.00000 0.00000 271 4YY 0.00001 -0.00000 -0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY -0.00001 0.00000 0.00000 -0.00000 0.00000 274 4XZ -0.00000 -0.00000 -0.00000 0.00001 0.00001 275 4YZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 276 28 C 1S 0.00002 0.00001 -0.00004 0.00000 -0.00000 277 2S -0.00006 -0.00005 0.00010 -0.00000 0.00000 278 2PX 0.00010 -0.00014 0.00016 -0.00000 -0.00000 279 2PY -0.00005 -0.00002 0.00005 -0.00000 0.00000 280 2PZ 0.00000 0.00000 -0.00000 0.00005 -0.00000 281 3S -0.00031 0.00004 0.00018 -0.00000 0.00000 282 3PX -0.00014 -0.00007 0.00013 -0.00000 0.00000 283 3PY -0.00016 0.00001 0.00008 -0.00000 0.00000 284 3PZ -0.00000 -0.00000 -0.00000 0.00024 0.00014 285 4XX 0.00003 0.00001 -0.00003 0.00000 -0.00000 286 4YY -0.00003 -0.00000 0.00002 -0.00000 -0.00000 287 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 288 4XY 0.00003 0.00000 -0.00002 -0.00000 -0.00000 289 4XZ -0.00000 -0.00000 -0.00000 0.00008 0.00007 290 4YZ -0.00000 -0.00000 -0.00000 0.00007 0.00005 291 29 C 1S -0.00025 -0.00001 0.00014 -0.00000 0.00000 292 2S 0.00057 -0.00002 -0.00031 0.00000 -0.00000 293 2PX 0.00108 0.00002 -0.00068 0.00000 -0.00000 294 2PY -0.00016 0.00004 -0.00003 -0.00000 -0.00000 295 2PZ -0.00000 -0.00000 -0.00000 0.00157 0.00129 296 3S 0.00094 -0.00030 -0.00057 0.00000 -0.00000 297 3PX 0.00065 -0.00003 -0.00047 0.00000 -0.00000 298 3PY -0.00035 0.00005 0.00007 -0.00000 -0.00000 299 3PZ -0.00000 -0.00000 -0.00000 0.00069 0.00057 300 4XX 0.00004 0.00002 -0.00004 0.00000 -0.00000 301 4YY -0.00000 -0.00002 0.00002 -0.00000 -0.00000 302 4ZZ 0.00000 0.00000 0.00001 -0.00000 -0.00000 303 4XY -0.00000 -0.00001 0.00000 0.00000 0.00000 304 4XZ 0.00000 0.00000 0.00000 -0.00006 -0.00005 305 4YZ -0.00000 -0.00000 -0.00000 0.00003 0.00003 306 30 H 1S -0.00000 0.00005 -0.00016 0.00000 -0.00000 307 2S 0.00035 0.00031 -0.00012 0.00000 -0.00000 308 31 H 1S -0.00005 -0.00005 0.00011 -0.00000 0.00000 309 2S -0.00015 -0.00004 0.00013 -0.00000 0.00000 310 32 H 1S 0.00001 -0.00001 0.00005 -0.00000 -0.00000 311 2S -0.00003 -0.00002 0.00008 -0.00000 0.00000 312 33 H 1S -0.00011 0.00002 0.00010 -0.00000 0.00000 313 2S -0.00016 0.00003 0.00003 -0.00000 0.00000 314 34 H 1S -0.00009 -0.00003 0.00010 -0.00000 0.00000 315 2S -0.00004 -0.00004 0.00008 -0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05309 47 2S -0.06400 0.33160 48 2PX -0.00166 0.00204 0.42053 49 2PY -0.00259 -0.00089 0.00256 0.43266 50 2PZ 0.00000 0.00000 0.00000 -0.00000 0.32817 51 3S -0.16855 0.25548 0.00824 0.01828 -0.00000 52 3PX -0.00145 0.01506 0.12727 0.00477 0.00000 53 3PY -0.00421 0.02654 0.00941 0.13695 -0.00000 54 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.21267 55 4XX -0.01741 -0.00269 -0.01404 0.00043 -0.00000 56 4YY -0.01991 0.00170 0.01764 0.00709 0.00000 57 4ZZ -0.01136 -0.01600 0.00007 -0.00070 0.00000 58 4XY -0.00243 0.00420 -0.00274 0.01891 -0.00000 59 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00534 60 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00693 61 5 C 1S 0.01666 -0.03353 -0.04262 0.06735 -0.00000 62 2S -0.03365 0.05815 0.09308 -0.13918 0.00000 63 2PX 0.04139 -0.08076 -0.07842 0.14531 -0.00000 64 2PY -0.06895 0.14548 0.16096 -0.23428 0.00000 65 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.20552 66 3S 0.00492 0.02358 0.04635 -0.11680 0.00000 67 3PX 0.00376 -0.02675 -0.00136 0.03143 -0.00000 68 3PY -0.00972 0.02705 0.06800 -0.06497 -0.00000 69 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.12568 70 4XX 0.00060 -0.00222 -0.01298 -0.00058 -0.00000 71 4YY -0.00438 0.00699 0.00857 0.00545 -0.00000 72 4ZZ 0.00192 -0.00439 -0.00259 0.00550 -0.00000 73 4XY 0.00525 -0.01063 0.00015 0.01272 -0.00000 74 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00739 75 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.01096 76 6 C 1S -0.00364 0.00971 0.00041 -0.01463 0.00000 77 2S 0.00971 -0.02301 -0.00299 0.03971 -0.00000 78 2PX 0.00041 -0.00299 -0.00216 0.01162 -0.00000 79 2PY 0.01463 -0.03971 -0.01162 0.04896 -0.00000 80 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.01355 81 3S -0.00285 -0.01626 0.04254 0.04017 -0.00000 82 3PX 0.00696 -0.01023 -0.00082 0.04087 -0.00000 83 3PY 0.00216 -0.01643 0.01540 0.02052 -0.00000 84 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.02142 85 4XX 0.00134 -0.00260 -0.00230 0.00506 -0.00000 86 4YY -0.00230 0.00517 0.00455 -0.01205 0.00000 87 4ZZ 0.00017 -0.00001 -0.00001 0.00068 -0.00000 88 4XY 0.00079 -0.00199 -0.00106 0.00265 -0.00000 89 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00772 90 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00779 91 7 C 1S -0.00371 0.00676 -0.00381 -0.00829 0.00000 92 2S 0.00732 -0.01578 0.01218 0.01715 -0.00000 93 2PX 0.00567 -0.01249 -0.01690 0.02745 -0.00000 94 2PY 0.00803 -0.01750 0.02480 0.01297 0.00000 95 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.12114 96 3S 0.01997 -0.02598 -0.00411 0.06613 -0.00000 97 3PX 0.00817 -0.01089 -0.01076 0.01757 -0.00000 98 3PY 0.00493 -0.00224 0.00571 -0.00262 0.00000 99 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.09778 100 4XX 0.00008 -0.00020 -0.00115 0.00114 -0.00000 101 4YY -0.00039 0.00072 0.00049 -0.00150 -0.00000 102 4ZZ -0.00026 0.00026 0.00053 -0.00030 -0.00000 103 4XY 0.00012 -0.00058 -0.00250 0.00101 -0.00000 104 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00080 105 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00171 106 8 H 1S -0.00208 0.00453 -0.00759 -0.00347 0.00000 107 2S -0.00439 0.01094 -0.00458 -0.01724 0.00000 108 9 H 1S -0.00840 0.02044 0.01491 -0.03170 0.00000 109 2S -0.01208 0.02644 0.02193 -0.05964 0.00000 110 10 H 1S 0.01273 -0.02685 -0.04070 0.02612 -0.00000 111 2S 0.01387 -0.02378 -0.07624 0.04207 -0.00000 112 11 H 1S -0.06196 0.11878 0.12165 0.24066 -0.00000 113 2S -0.01383 0.02689 0.09365 0.19289 -0.00000 114 12 H 1S 0.01309 -0.03015 0.03713 -0.02037 0.00000 115 2S 0.01383 -0.02502 0.05828 -0.03353 0.00000 116 13 C 1S 0.00022 -0.00029 0.00077 0.00019 -0.00000 117 2S 0.00013 -0.00031 0.00160 -0.00173 0.00000 118 2PX -0.00036 -0.00023 -0.00092 -0.00092 0.00000 119 2PY -0.00008 -0.00095 -0.00147 0.00139 -0.00000 120 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00029 121 3S -0.00715 0.01190 -0.04085 0.01185 -0.00000 122 3PX -0.00902 0.01629 -0.04041 0.02670 -0.00000 123 3PY 0.00355 -0.00264 0.01393 -0.00646 0.00000 124 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00316 125 4XX -0.00026 0.00044 -0.00102 0.00004 -0.00000 126 4YY 0.00010 -0.00015 0.00018 0.00016 -0.00000 127 4ZZ 0.00010 -0.00017 0.00052 -0.00021 -0.00000 128 4XY 0.00000 -0.00007 0.00023 0.00013 0.00000 129 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00070 130 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00094 131 14 C 1S 0.00122 -0.00263 0.00478 -0.00171 0.00000 132 2S -0.00252 0.00514 -0.00892 0.00339 -0.00000 133 2PX -0.00707 0.01193 -0.02626 0.00616 -0.00000 134 2PY 0.00080 0.00116 0.00238 -0.00045 -0.00000 135 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00434 136 3S -0.00900 0.01613 -0.04591 0.01623 -0.00000 137 3PX -0.00012 0.00339 -0.00237 0.00041 -0.00000 138 3PY -0.00913 0.01884 -0.04988 0.01867 -0.00000 139 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00922 140 4XX -0.00051 0.00088 -0.00186 0.00046 -0.00000 141 4YY 0.00007 -0.00015 0.00034 -0.00014 0.00000 142 4ZZ 0.00003 -0.00010 0.00030 -0.00002 0.00000 143 4XY -0.00024 0.00044 -0.00066 0.00020 -0.00000 144 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00049 145 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00034 146 15 C 1S -0.00059 0.00061 -0.00224 0.00045 -0.00000 147 2S 0.00061 -0.00054 0.00165 -0.00008 0.00000 148 2PX 0.00150 -0.00089 0.00522 -0.00007 0.00000 149 2PY -0.00171 0.00139 -0.00644 0.00146 0.00000 150 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00583 151 3S 0.01170 -0.02013 0.05686 -0.01958 0.00000 152 3PX 0.00187 -0.00355 0.01170 -0.00364 0.00000 153 3PY -0.00554 0.00887 -0.02751 0.00920 -0.00000 154 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00672 155 4XX -0.00021 0.00029 -0.00072 0.00012 -0.00000 156 4YY 0.00027 -0.00039 0.00110 -0.00025 0.00000 157 4ZZ -0.00013 0.00017 -0.00056 0.00014 0.00000 158 4XY 0.00006 -0.00017 0.00013 -0.00009 -0.00000 159 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00037 160 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00009 161 16 C 1S 0.00036 -0.00039 0.00136 -0.00034 0.00000 162 2S -0.00050 0.00051 -0.00161 0.00014 -0.00000 163 2PX -0.00138 0.00128 -0.00506 0.00048 -0.00000 164 2PY 0.00000 -0.00050 -0.00026 0.00019 0.00000 165 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00819 166 3S -0.00468 0.00779 -0.01924 0.00859 -0.00000 167 3PX -0.00145 0.00203 -0.00535 0.00148 -0.00000 168 3PY 0.00282 -0.00528 0.01441 -0.00607 0.00000 169 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00576 170 4XX 0.00001 -0.00001 -0.00002 -0.00001 0.00000 171 4YY 0.00003 -0.00003 0.00012 0.00003 0.00000 172 4ZZ 0.00005 -0.00009 0.00025 -0.00009 0.00000 173 4XY -0.00009 0.00015 -0.00037 0.00013 -0.00000 174 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00021 175 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00008 176 17 C 1S 0.00002 -0.00011 -0.00001 0.00005 -0.00000 177 2S -0.00025 0.00046 -0.00071 0.00049 -0.00000 178 2PX -0.00015 0.00020 -0.00005 0.00005 -0.00000 179 2PY 0.00002 0.00079 -0.00043 0.00043 -0.00000 180 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00145 181 3S 0.00250 -0.00375 0.01237 -0.00686 0.00000 182 3PX 0.00201 -0.00356 0.00889 -0.00616 0.00000 183 3PY 0.00123 -0.00238 0.00573 -0.00287 0.00000 184 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00087 185 4XX -0.00000 -0.00001 -0.00001 -0.00011 0.00000 186 4YY 0.00004 -0.00007 0.00018 -0.00005 0.00000 187 4ZZ -0.00003 0.00004 -0.00010 0.00008 0.00000 188 4XY -0.00000 0.00000 0.00005 0.00004 -0.00000 189 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00005 190 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00063 191 18 C 1S 0.00020 -0.00042 0.00100 -0.00026 0.00000 192 2S -0.00029 0.00051 -0.00145 -0.00025 0.00000 193 2PX -0.00061 0.00184 -0.00320 0.00048 -0.00000 194 2PY 0.00006 -0.00059 0.00052 -0.00066 -0.00000 195 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00938 196 3S -0.00580 0.01075 -0.02438 0.01729 -0.00000 197 3PX -0.00402 0.00823 -0.01798 0.01239 -0.00000 198 3PY -0.00096 0.00062 -0.00420 0.00406 -0.00000 199 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00720 200 4XX -0.00002 0.00005 -0.00009 0.00020 -0.00000 201 4YY 0.00002 -0.00004 0.00012 0.00004 -0.00000 202 4ZZ 0.00001 -0.00005 0.00008 -0.00011 0.00000 203 4XY 0.00004 -0.00012 0.00005 -0.00007 0.00000 204 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00002 205 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00005 206 19 H 1S 0.00012 -0.00026 0.00025 0.00007 -0.00000 207 2S -0.00103 0.00168 -0.00598 0.00510 -0.00000 208 20 H 1S -0.00002 0.00003 -0.00033 -0.00016 0.00000 209 2S 0.00047 -0.00088 0.00165 -0.00202 0.00000 210 21 H 1S 0.00033 -0.00058 0.00120 -0.00009 0.00000 211 2S -0.00001 0.00019 -0.00106 0.00083 -0.00000 212 22 H 1S 0.00054 -0.00107 0.00205 -0.00034 0.00000 213 2S 0.00122 -0.00208 0.00508 -0.00146 0.00000 214 23 H 1S -0.00185 0.00205 -0.00724 -0.00195 0.00000 215 2S -0.00056 -0.00258 0.00943 -0.00737 0.00000 216 24 C 1S -0.00075 0.00161 -0.00361 -0.00078 0.00000 217 2S 0.00143 -0.00313 0.00608 0.00274 -0.00000 218 2PX 0.00192 -0.00488 0.00794 0.00104 -0.00000 219 2PY 0.00280 -0.00523 0.01244 0.00237 -0.00000 220 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.01235 221 3S 0.00688 -0.01323 0.04051 -0.01332 0.00000 222 3PX 0.00531 -0.00925 0.03989 -0.00846 0.00000 223 3PY 0.00601 -0.01196 0.02294 -0.00872 0.00000 224 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00941 225 4XX -0.00018 0.00046 -0.00108 -0.00043 0.00000 226 4YY 0.00018 -0.00037 0.00115 -0.00014 0.00000 227 4ZZ -0.00003 0.00008 -0.00030 0.00012 0.00000 228 4XY 0.00004 0.00007 -0.00027 -0.00039 0.00000 229 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00117 230 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00164 231 25 C 1S 0.00036 -0.00069 0.00170 0.00028 -0.00000 232 2S -0.00081 0.00158 -0.00445 -0.00059 0.00000 233 2PX -0.00129 0.00350 -0.00654 -0.00090 0.00000 234 2PY -0.00044 0.00168 -0.00186 -0.00028 -0.00000 235 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.01215 236 3S 0.00082 -0.00039 0.01146 -0.00476 0.00000 237 3PX 0.00052 -0.00032 0.00861 -0.00292 0.00000 238 3PY -0.00222 0.00412 -0.00976 0.00459 -0.00000 239 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.01178 240 4XX 0.00001 -0.00001 0.00022 0.00008 -0.00000 241 4YY 0.00007 -0.00015 0.00037 -0.00002 -0.00000 242 4ZZ 0.00002 -0.00003 -0.00003 0.00002 -0.00000 243 4XY 0.00011 -0.00023 0.00067 0.00021 -0.00000 244 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00072 245 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00019 246 26 C 1S -0.00016 0.00044 -0.00069 -0.00017 0.00000 247 2S 0.00044 -0.00112 0.00239 0.00033 -0.00000 248 2PX 0.00049 -0.00149 0.00227 0.00053 -0.00000 249 2PY 0.00052 -0.00191 0.00269 0.00041 0.00000 250 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00652 251 3S -0.00073 0.00093 -0.00705 0.00443 -0.00000 252 3PX -0.00048 0.00063 -0.00585 0.00175 -0.00000 253 3PY 0.00007 -0.00061 0.00368 0.00113 0.00000 254 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00584 255 4XX -0.00007 0.00015 -0.00039 -0.00000 -0.00000 256 4YY 0.00001 -0.00003 0.00000 0.00002 -0.00000 257 4ZZ 0.00001 -0.00000 0.00008 0.00000 -0.00000 258 4XY -0.00005 0.00007 -0.00021 -0.00002 -0.00000 259 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00005 260 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00083 261 27 C 1S -0.00005 0.00016 -0.00022 -0.00007 0.00000 262 2S 0.00015 -0.00041 0.00001 0.00043 -0.00000 263 2PX 0.00009 -0.00088 -0.00002 0.00039 -0.00000 264 2PY 0.00008 -0.00004 0.00020 0.00033 0.00000 265 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.01305 266 3S 0.00038 -0.00120 0.00637 -0.00117 0.00000 267 3PX 0.00010 -0.00054 0.00032 -0.00075 0.00000 268 3PY 0.00014 -0.00036 0.00626 -0.00180 0.00000 269 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.01122 270 4XX -0.00004 0.00008 -0.00010 -0.00007 0.00000 271 4YY 0.00003 -0.00005 0.00017 0.00003 0.00000 272 4ZZ 0.00001 -0.00001 -0.00007 0.00004 0.00000 273 4XY -0.00000 0.00000 0.00000 -0.00002 -0.00000 274 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00017 275 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00018 276 28 C 1S 0.00002 -0.00025 0.00009 0.00011 -0.00000 277 2S -0.00011 0.00046 0.00058 -0.00057 0.00000 278 2PX 0.00005 0.00078 0.00047 -0.00035 0.00000 279 2PY -0.00001 0.00037 0.00013 -0.00010 -0.00000 280 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00145 281 3S -0.00021 0.00144 -0.01615 0.00694 -0.00000 282 3PX 0.00003 0.00003 -0.00403 0.00106 -0.00000 283 3PY -0.00015 0.00083 -0.00748 0.00280 -0.00000 284 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00455 285 4XX 0.00006 -0.00014 -0.00000 0.00016 -0.00000 286 4YY -0.00004 0.00011 -0.00018 0.00000 -0.00000 287 4ZZ -0.00001 -0.00002 0.00012 -0.00002 -0.00000 288 4XY 0.00004 -0.00008 -0.00006 0.00011 -0.00000 289 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00083 290 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00073 291 29 C 1S -0.00025 0.00063 -0.00084 -0.00037 0.00000 292 2S 0.00057 -0.00149 0.00169 0.00138 -0.00000 293 2PX 0.00106 -0.00277 0.00229 0.00179 -0.00000 294 2PY -0.00002 -0.00111 0.00127 0.00007 -0.00000 295 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.01558 296 3S 0.00041 -0.00193 0.00820 -0.00782 0.00000 297 3PX -0.00125 0.00285 -0.00667 0.00163 -0.00000 298 3PY 0.00043 -0.00119 -0.01719 0.00694 -0.00000 299 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00450 300 4XX -0.00000 -0.00002 0.00005 -0.00009 0.00000 301 4YY 0.00002 -0.00006 -0.00000 0.00007 -0.00000 302 4ZZ -0.00001 0.00003 -0.00002 0.00005 -0.00000 303 4XY -0.00005 0.00008 0.00029 -0.00021 0.00000 304 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00077 305 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00019 306 30 H 1S 0.00023 -0.00091 -0.00000 0.00091 -0.00000 307 2S 0.00278 -0.00629 -0.00308 0.01043 -0.00000 308 31 H 1S -0.00009 0.00040 -0.00005 -0.00023 0.00000 309 2S -0.00031 0.00084 -0.00068 -0.00037 0.00000 310 32 H 1S 0.00003 0.00002 0.00047 -0.00022 0.00000 311 2S 0.00004 -0.00005 0.00213 -0.00088 0.00000 312 33 H 1S -0.00027 0.00073 -0.00148 -0.00026 0.00000 313 2S -0.00063 0.00143 -0.00450 -0.00016 -0.00000 314 34 H 1S -0.00015 0.00036 -0.00079 -0.00038 0.00000 315 2S 0.00134 -0.00235 0.00763 -0.00470 0.00000 51 52 53 54 55 51 3S 0.24394 52 3PX 0.00284 0.04945 53 3PY 0.02020 0.00471 0.04873 54 3PZ -0.00000 -0.00000 -0.00000 0.13913 55 4XX -0.00300 -0.00371 -0.00034 0.00000 0.00112 56 4YY 0.00378 0.00422 0.00280 0.00000 -0.00074 57 4ZZ -0.01126 -0.00042 -0.00159 0.00000 0.00023 58 4XY 0.00570 -0.00002 0.00579 -0.00000 -0.00017 59 4XZ -0.00000 -0.00000 -0.00000 -0.00338 0.00000 60 4YZ 0.00000 -0.00000 0.00000 -0.00427 0.00000 61 5 C 1S 0.00549 -0.00646 0.00849 -0.00000 0.00017 62 2S 0.02426 0.01173 -0.03728 0.00000 -0.00198 63 2PX -0.09694 -0.00620 0.03680 -0.00000 0.01319 64 2PY 0.09096 0.07187 -0.05680 -0.00000 -0.00163 65 2PZ -0.00000 -0.00000 -0.00000 0.12865 0.00000 66 3S -0.01416 0.00195 -0.03033 0.00000 0.00038 67 3PX -0.02424 0.00068 0.00515 -0.00000 0.00352 68 3PY 0.00953 0.02457 -0.01332 -0.00000 -0.00075 69 3PZ -0.00000 -0.00000 -0.00000 0.07933 0.00000 70 4XX -0.00551 -0.00381 -0.00000 -0.00000 0.00091 71 4YY 0.00793 0.00320 0.00218 -0.00000 -0.00058 72 4ZZ -0.00220 -0.00024 0.00128 -0.00000 0.00004 73 4XY -0.00820 -0.00141 0.00356 -0.00000 -0.00014 74 4XZ 0.00000 0.00000 -0.00000 -0.00446 0.00000 75 4YZ -0.00000 -0.00000 -0.00000 0.00750 0.00000 76 6 C 1S -0.00285 0.00696 -0.00216 0.00000 0.00134 77 2S -0.01626 -0.01023 0.01643 -0.00000 -0.00260 78 2PX 0.04254 -0.00082 -0.01540 0.00000 -0.00230 79 2PY -0.04017 -0.04087 0.02052 -0.00000 -0.00506 80 2PZ 0.00000 0.00000 -0.00000 -0.02142 0.00000 81 3S 0.00784 0.00097 0.01251 -0.00000 -0.00414 82 3PX 0.00097 0.00192 0.00882 -0.00000 -0.00032 83 3PY -0.01251 -0.00882 0.00818 0.00000 -0.00185 84 3PZ 0.00000 0.00000 0.00000 -0.02147 0.00000 85 4XX -0.00414 -0.00032 0.00185 -0.00000 0.00038 86 4YY 0.00610 0.00168 -0.00418 -0.00000 -0.00033 87 4ZZ 0.00010 0.00030 -0.00003 -0.00000 0.00011 88 4XY -0.00102 -0.00214 0.00052 -0.00000 -0.00004 89 4XZ 0.00000 0.00000 -0.00000 0.00557 0.00000 90 4YZ -0.00000 -0.00000 0.00000 0.00485 0.00000 91 7 C 1S 0.02554 -0.00574 -0.01179 0.00000 -0.00014 92 2S -0.03914 0.00920 0.01583 -0.00000 0.00033 93 2PX -0.03807 -0.01324 0.02148 -0.00000 0.00167 94 2PY -0.05758 0.01553 0.01409 0.00000 -0.00024 95 2PZ 0.00000 -0.00000 0.00000 -0.09540 0.00000 96 3S -0.06030 0.00629 0.03181 -0.00000 0.00074 97 3PX -0.02333 -0.00225 0.01103 -0.00000 0.00176 98 3PY -0.01992 0.00627 0.00096 0.00000 -0.00087 99 3PZ 0.00000 -0.00000 0.00000 -0.07408 0.00000 100 4XX -0.00032 -0.00127 0.00094 -0.00000 -0.00012 101 4YY 0.00188 0.00117 -0.00135 0.00000 0.00003 102 4ZZ 0.00123 -0.00016 -0.00042 -0.00000 -0.00001 103 4XY 0.00053 -0.00216 0.00018 -0.00000 -0.00011 104 4XZ -0.00000 0.00000 -0.00000 0.00031 0.00000 105 4YZ -0.00000 -0.00000 0.00000 0.00071 -0.00000 106 8 H 1S 0.02612 -0.00283 -0.00829 0.00000 -0.00034 107 2S 0.03122 -0.00169 -0.01420 0.00000 -0.00095 108 9 H 1S 0.03285 0.02202 -0.01549 0.00000 0.00047 109 2S 0.03145 0.02229 -0.02262 0.00000 0.00040 110 10 H 1S -0.05397 -0.00862 0.00630 -0.00000 0.00814 111 2S -0.04446 -0.01670 0.01218 -0.00000 0.00732 112 11 H 1S 0.11028 0.04281 0.08730 -0.00000 -0.00526 113 2S 0.03753 0.02828 0.06339 -0.00000 -0.00430 114 12 H 1S -0.04522 -0.00049 0.00083 -0.00000 0.00359 115 2S -0.03340 0.00566 -0.00214 0.00000 -0.00031 116 13 C 1S -0.00082 -0.00014 0.00141 -0.00000 -0.00003 117 2S -0.00087 0.00150 -0.00226 0.00000 0.00004 118 2PX 0.01595 -0.00387 -0.00504 0.00000 0.00033 119 2PY 0.02187 -0.01205 -0.00031 0.00000 0.00025 120 2PZ -0.00000 0.00000 0.00000 -0.00418 -0.00000 121 3S 0.00871 -0.00741 -0.00163 0.00000 0.00062 122 3PX 0.01868 -0.01017 0.00550 -0.00000 0.00027 123 3PY -0.00667 0.00538 0.00064 -0.00000 -0.00056 124 3PZ 0.00000 -0.00000 -0.00000 -0.00039 0.00000 125 4XX 0.00214 -0.00135 -0.00005 -0.00000 -0.00002 126 4YY -0.00162 0.00091 0.00019 -0.00000 0.00002 127 4ZZ -0.00017 0.00012 0.00000 -0.00000 -0.00000 128 4XY 0.00173 -0.00052 -0.00009 0.00000 0.00001 129 4XZ -0.00000 0.00000 0.00000 -0.00072 -0.00000 130 4YZ 0.00000 -0.00000 -0.00000 0.00057 -0.00000 131 14 C 1S -0.00818 0.00237 -0.00048 0.00000 0.00013 132 2S 0.01810 -0.00615 0.00064 -0.00000 -0.00020 133 2PX 0.07804 -0.03841 -0.00114 -0.00000 0.00004 134 2PY -0.04702 0.02271 0.00473 -0.00000 -0.00061 135 2PZ 0.00000 -0.00000 -0.00000 -0.00243 0.00000 136 3S 0.03960 -0.02075 0.00314 -0.00000 0.00050 137 3PX 0.02563 -0.01011 -0.00090 0.00000 -0.00034 138 3PY 0.00160 -0.00514 0.00650 -0.00000 0.00008 139 3PZ -0.00000 0.00000 -0.00000 0.00221 -0.00000 140 4XX 0.00435 -0.00225 0.00009 -0.00000 -0.00001 141 4YY -0.00223 0.00123 -0.00011 0.00000 0.00000 142 4ZZ -0.00094 0.00049 -0.00000 0.00000 -0.00000 143 4XY 0.00265 -0.00120 -0.00005 -0.00000 -0.00001 144 4XZ -0.00000 0.00000 -0.00000 0.00038 0.00000 145 4YZ 0.00000 -0.00000 0.00000 -0.00018 -0.00000 146 15 C 1S 0.01170 -0.00573 -0.00115 0.00000 0.00010 147 2S -0.02013 0.00946 0.00136 -0.00000 -0.00010 148 2PX -0.04539 0.02331 0.00307 -0.00000 -0.00035 149 2PY 0.03945 -0.02080 -0.00241 0.00000 0.00043 150 2PZ -0.00000 0.00000 0.00000 -0.00672 -0.00000 151 3S -0.04291 0.02590 -0.00409 0.00000 -0.00060 152 3PX -0.01649 0.00917 0.00008 0.00000 -0.00017 153 3PY 0.02039 -0.01309 0.00166 0.00000 0.00044 154 3PZ -0.00000 0.00000 0.00000 -0.00611 -0.00000 155 4XX 0.00314 -0.00158 -0.00012 0.00000 0.00001 156 4YY -0.00237 0.00126 0.00006 -0.00000 -0.00002 157 4ZZ 0.00090 -0.00048 -0.00003 -0.00000 0.00001 158 4XY -0.00053 0.00011 -0.00008 0.00000 0.00002 159 4XZ 0.00000 -0.00000 0.00000 0.00010 -0.00000 160 4YZ 0.00000 -0.00000 -0.00000 0.00010 0.00000 161 16 C 1S -0.00637 0.00301 0.00067 -0.00000 -0.00006 162 2S 0.01131 -0.00554 -0.00115 0.00000 0.00007 163 2PX 0.03432 -0.01804 -0.00163 0.00000 0.00024 164 2PY 0.00896 -0.00429 0.00013 0.00000 0.00018 165 2PZ -0.00000 0.00000 0.00000 -0.00410 -0.00000 166 3S 0.02041 -0.01051 0.00110 -0.00000 0.00020 167 3PX 0.01685 -0.00898 -0.00029 -0.00000 0.00010 168 3PY 0.00192 0.00021 -0.00166 0.00000 -0.00008 169 3PZ -0.00000 -0.00000 0.00000 -0.00288 0.00000 170 4XX -0.00022 0.00008 0.00001 -0.00000 0.00000 171 4YY -0.00086 0.00044 0.00007 0.00000 -0.00000 172 4ZZ -0.00023 0.00014 -0.00000 0.00000 -0.00000 173 4XY 0.00100 -0.00052 -0.00007 0.00000 0.00000 174 4XZ -0.00000 0.00000 0.00000 -0.00031 -0.00000 175 4YZ 0.00000 -0.00000 0.00000 -0.00016 0.00000 176 17 C 1S -0.00021 0.00012 0.00010 -0.00000 0.00002 177 2S 0.00144 -0.00074 -0.00039 0.00000 -0.00001 178 2PX 0.00207 -0.00169 0.00029 -0.00000 -0.00002 179 2PY -0.01746 0.00884 0.00046 -0.00000 -0.00022 180 2PZ 0.00000 -0.00000 -0.00000 0.00455 0.00000 181 3S -0.00015 0.00111 -0.00131 0.00000 -0.00019 182 3PX -0.00252 0.00137 -0.00127 0.00000 -0.00008 183 3PY -0.00672 0.00336 -0.00098 -0.00000 -0.00008 184 3PZ 0.00000 -0.00000 -0.00000 0.00310 0.00000 185 4XX 0.00045 -0.00032 -0.00000 -0.00000 -0.00000 186 4YY -0.00023 0.00020 -0.00003 0.00000 0.00000 187 4ZZ 0.00000 0.00002 0.00003 0.00000 0.00000 188 4XY -0.00000 0.00011 -0.00009 0.00000 -0.00000 189 4XZ 0.00000 -0.00000 0.00000 0.00008 0.00000 190 4YZ 0.00000 -0.00000 0.00000 -0.00043 -0.00000 191 18 C 1S -0.00210 0.00167 -0.00023 0.00000 0.00004 192 2S 0.00449 -0.00388 0.00061 -0.00000 -0.00006 193 2PX -0.00705 -0.00012 0.00270 -0.00000 -0.00026 194 2PY 0.01049 -0.00683 0.00035 -0.00000 0.00012 195 2PZ -0.00000 0.00000 -0.00000 0.00782 -0.00000 196 3S 0.01469 -0.00956 0.00470 -0.00000 -0.00006 197 3PX 0.00691 -0.00565 0.00498 -0.00000 -0.00007 198 3PY 0.00521 -0.00377 0.00042 -0.00000 0.00022 199 3PZ -0.00000 0.00000 -0.00000 0.00628 -0.00000 200 4XX -0.00012 0.00009 0.00003 -0.00000 0.00000 201 4YY -0.00027 0.00025 -0.00005 -0.00000 -0.00000 202 4ZZ 0.00004 0.00003 -0.00007 -0.00000 0.00000 203 4XY -0.00021 0.00010 -0.00007 0.00000 0.00001 204 4XZ 0.00000 -0.00000 0.00000 -0.00024 -0.00000 205 4YZ 0.00000 -0.00000 0.00000 0.00014 -0.00000 206 19 H 1S -0.00136 0.00188 -0.00067 0.00000 0.00002 207 2S 0.00040 -0.00005 0.00095 -0.00000 0.00015 208 20 H 1S 0.00128 -0.00062 -0.00030 0.00000 0.00001 209 2S 0.00133 -0.00098 -0.00050 0.00000 -0.00002 210 21 H 1S -0.00451 0.00261 0.00037 -0.00000 0.00003 211 2S -0.00865 0.00416 0.00102 -0.00000 0.00002 212 22 H 1S -0.00576 0.00232 0.00002 0.00000 0.00006 213 2S -0.00362 0.00166 -0.00049 0.00000 0.00002 214 23 H 1S 0.04474 -0.02433 -0.00093 -0.00000 0.00016 215 2S 0.02744 -0.01220 -0.00307 0.00000 0.00002 216 24 C 1S 0.00287 -0.00244 -0.00044 0.00000 -0.00002 217 2S -0.00614 0.00452 0.00216 -0.00000 0.00007 218 2PX 0.00609 -0.00107 -0.00020 0.00000 0.00041 219 2PY -0.02333 0.00994 0.01117 -0.00000 0.00000 220 2PZ 0.00000 -0.00000 -0.00000 0.01179 0.00000 221 3S -0.01045 0.01106 -0.00072 0.00000 0.00005 222 3PX -0.00768 0.01057 -0.00002 0.00000 -0.00049 223 3PY -0.00133 0.00400 -0.00412 -0.00000 0.00009 224 3PZ 0.00000 -0.00000 -0.00000 0.00913 -0.00000 225 4XX 0.00087 -0.00056 -0.00038 0.00000 -0.00002 226 4YY -0.00072 0.00047 0.00021 0.00000 0.00001 227 4ZZ 0.00025 -0.00017 -0.00007 0.00000 -0.00000 228 4XY -0.00003 -0.00028 0.00034 0.00000 -0.00001 229 4XZ 0.00000 0.00000 0.00000 -0.00090 0.00000 230 4YZ 0.00000 -0.00000 0.00000 -0.00131 -0.00000 231 25 C 1S -0.00175 0.00064 0.00188 -0.00000 0.00001 232 2S 0.00302 -0.00144 -0.00309 0.00000 -0.00002 233 2PX -0.00643 0.00169 0.00100 -0.00000 -0.00030 234 2PY -0.00541 -0.00047 0.00615 -0.00000 -0.00022 235 2PZ 0.00000 0.00000 -0.00000 0.00997 0.00000 236 3S 0.00333 0.00051 -0.00214 0.00000 -0.00043 237 3PX -0.00658 0.00461 0.00035 -0.00000 -0.00034 238 3PY -0.00578 -0.00008 0.00468 -0.00000 -0.00001 239 3PZ 0.00000 0.00000 -0.00000 0.00926 -0.00000 240 4XX -0.00014 0.00010 0.00010 -0.00000 -0.00001 241 4YY 0.00000 0.00003 0.00004 -0.00000 0.00001 242 4ZZ -0.00006 -0.00001 0.00009 -0.00000 0.00000 243 4XY -0.00068 0.00051 0.00011 -0.00000 -0.00000 244 4XZ 0.00000 -0.00000 -0.00000 0.00065 0.00000 245 4YZ 0.00000 -0.00000 -0.00000 0.00018 -0.00000 246 26 C 1S -0.00073 0.00018 0.00045 -0.00000 -0.00005 247 2S 0.00093 0.00021 -0.00085 0.00000 0.00007 248 2PX -0.00031 0.00174 -0.00263 0.00000 0.00013 249 2PY 0.00833 -0.00070 -0.00645 0.00000 0.00022 250 2PZ -0.00000 0.00000 0.00000 -0.00584 -0.00000 251 3S -0.00465 0.00163 0.00066 -0.00000 0.00015 252 3PX -0.00139 0.00011 -0.00067 0.00000 0.00013 253 3PY -0.00108 0.00181 -0.00055 0.00000 0.00003 254 3PZ 0.00000 -0.00000 0.00000 -0.00508 -0.00000 255 4XX 0.00019 -0.00011 -0.00014 0.00000 -0.00000 256 4YY -0.00002 -0.00002 0.00005 -0.00000 0.00000 257 4ZZ -0.00009 0.00004 0.00008 -0.00000 -0.00000 258 4XY 0.00016 -0.00007 -0.00014 0.00000 0.00001 259 4XZ -0.00000 0.00000 0.00000 0.00003 -0.00000 260 4YZ 0.00000 -0.00000 -0.00000 0.00069 0.00000 261 27 C 1S -0.00047 -0.00050 0.00102 -0.00000 0.00000 262 2S 0.00048 0.00092 -0.00173 0.00000 0.00001 263 2PX 0.00862 -0.00008 -0.00834 0.00000 0.00014 264 2PY -0.00378 0.00078 0.00186 0.00000 -0.00003 265 2PZ 0.00000 -0.00000 0.00000 -0.01120 0.00000 266 3S 0.00002 0.00200 -0.00161 0.00000 0.00003 267 3PX 0.00408 -0.00013 -0.00401 0.00000 0.00010 268 3PY -0.00194 0.00104 0.00150 0.00000 -0.00006 269 3PZ 0.00000 -0.00000 0.00000 -0.00938 0.00000 270 4XX 0.00011 -0.00009 0.00005 -0.00000 -0.00000 271 4YY -0.00018 0.00005 0.00013 0.00000 0.00000 272 4ZZ -0.00003 -0.00003 0.00005 0.00000 -0.00000 273 4XY -0.00001 -0.00005 0.00004 -0.00000 0.00000 274 4XZ 0.00000 0.00000 -0.00000 0.00014 -0.00000 275 4YZ 0.00000 -0.00000 -0.00000 -0.00017 -0.00000 276 28 C 1S 0.00250 0.00006 -0.00236 0.00000 0.00003 277 2S -0.00375 -0.00028 0.00427 -0.00000 -0.00006 278 2PX -0.01212 0.00026 0.01115 -0.00000 -0.00013 279 2PY -0.00728 -0.00075 0.00577 -0.00000 -0.00004 280 2PZ 0.00000 0.00000 -0.00000 0.00087 0.00000 281 3S -0.00015 -0.00456 0.00554 -0.00000 -0.00006 282 3PX -0.00169 -0.00129 0.00281 -0.00000 0.00004 283 3PY -0.00030 -0.00182 0.00169 -0.00000 -0.00001 284 3PZ 0.00000 0.00000 -0.00000 0.00310 0.00000 285 4XX 0.00006 0.00020 -0.00044 0.00000 0.00001 286 4YY -0.00003 -0.00017 0.00033 -0.00000 -0.00001 287 4ZZ 0.00014 0.00003 -0.00014 -0.00000 0.00000 288 4XY -0.00025 0.00006 -0.00004 -0.00000 0.00001 289 4XZ 0.00000 -0.00000 -0.00000 0.00070 -0.00000 290 4YZ -0.00000 0.00000 -0.00000 0.00060 0.00000 291 29 C 1S 0.00104 -0.00050 0.00090 -0.00000 -0.00009 292 2S -0.00184 0.00119 -0.00199 0.00000 0.00018 293 2PX -0.00297 0.00644 -0.00813 0.00000 0.00021 294 2PY 0.01806 -0.00194 -0.01173 0.00000 0.00017 295 2PZ -0.00000 0.00000 0.00000 0.01345 -0.00000 296 3S 0.00134 0.00140 -0.00696 0.00000 0.00047 297 3PX -0.00285 0.00175 -0.00109 0.00000 0.00017 298 3PY 0.01248 -0.00631 -0.00547 0.00000 0.00023 299 3PZ -0.00000 0.00000 0.00000 0.00465 -0.00000 300 4XX -0.00007 0.00032 -0.00066 0.00000 -0.00000 301 4YY -0.00022 -0.00018 0.00056 -0.00000 0.00001 302 4ZZ -0.00015 -0.00003 0.00025 -0.00000 -0.00001 303 4XY -0.00017 -0.00002 0.00040 -0.00000 -0.00001 304 4XZ 0.00000 0.00000 -0.00000 -0.00061 0.00000 305 4YZ 0.00000 0.00000 -0.00000 0.00023 -0.00000 306 30 H 1S 0.00235 0.00377 -0.00765 0.00000 0.00002 307 2S -0.00122 0.00071 -0.00314 0.00000 0.00003 308 31 H 1S -0.00082 -0.00004 0.00233 -0.00000 -0.00007 309 2S 0.00112 -0.00021 0.00080 -0.00000 -0.00008 310 32 H 1S -0.00062 -0.00002 0.00105 -0.00000 -0.00002 311 2S -0.00064 -0.00006 0.00137 -0.00000 -0.00002 312 33 H 1S 0.00107 -0.00109 0.00049 -0.00000 -0.00004 313 2S 0.00106 -0.00139 -0.00011 0.00000 -0.00002 314 34 H 1S 0.00150 -0.00163 0.00107 -0.00000 -0.00000 315 2S 0.00021 0.00058 -0.00077 0.00000 -0.00010 56 57 58 59 60 56 4YY 0.00155 57 4ZZ -0.00002 0.00091 58 4XY 0.00034 -0.00019 0.00156 59 4XZ -0.00000 0.00000 -0.00000 0.00050 60 4YZ -0.00000 -0.00000 -0.00000 -0.00013 0.00036 61 5 C 1S -0.00408 0.00186 0.00525 -0.00000 0.00000 62 2S 0.00714 -0.00428 -0.01046 0.00000 -0.00000 63 2PX -0.01152 0.00403 -0.00000 0.00000 0.00000 64 2PY -0.00478 -0.00484 -0.01136 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00397 -0.01018 66 3S 0.00329 -0.00243 -0.01026 0.00000 -0.00000 67 3PX -0.00219 0.00122 -0.00110 0.00000 0.00000 68 3PY -0.00066 -0.00090 -0.00453 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00290 -0.00633 70 4XX -0.00089 0.00008 -0.00027 0.00000 0.00000 71 4YY 0.00067 -0.00029 0.00050 -0.00000 -0.00000 72 4ZZ -0.00025 0.00029 0.00039 0.00000 0.00000 73 4XY 0.00054 0.00038 0.00044 -0.00000 -0.00000 74 4XZ -0.00000 -0.00000 -0.00000 -0.00004 0.00034 75 4YZ -0.00000 0.00000 -0.00000 -0.00042 0.00003 76 6 C 1S -0.00230 0.00017 -0.00079 0.00000 0.00000 77 2S 0.00517 -0.00001 0.00199 -0.00000 -0.00000 78 2PX 0.00455 -0.00001 0.00106 -0.00000 -0.00000 79 2PY 0.01205 -0.00068 0.00265 -0.00000 -0.00000 80 2PZ -0.00000 0.00000 -0.00000 0.00772 -0.00779 81 3S 0.00610 0.00010 0.00102 -0.00000 -0.00000 82 3PX 0.00168 0.00030 0.00214 -0.00000 -0.00000 83 3PY 0.00418 0.00003 0.00052 -0.00000 -0.00000 84 3PZ 0.00000 0.00000 -0.00000 0.00557 -0.00485 85 4XX -0.00033 0.00011 0.00004 -0.00000 0.00000 86 4YY 0.00017 -0.00020 -0.00043 0.00000 0.00000 87 4ZZ -0.00020 0.00005 0.00000 -0.00000 0.00000 88 4XY 0.00043 -0.00000 0.00007 -0.00000 -0.00000 89 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00009 90 4YZ 0.00000 0.00000 0.00000 0.00009 -0.00036 91 7 C 1S -0.00005 -0.00036 0.00030 -0.00000 0.00000 92 2S -0.00003 0.00044 -0.00099 0.00000 -0.00000 93 2PX -0.00167 0.00009 0.00230 -0.00000 0.00000 94 2PY 0.00087 0.00004 -0.00155 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00212 -0.00193 96 3S 0.00103 0.00059 0.00002 0.00000 -0.00000 97 3PX -0.00182 0.00043 0.00193 -0.00000 0.00000 98 3PY 0.00128 -0.00032 0.00018 -0.00000 -0.00000 99 3PZ -0.00000 0.00000 -0.00000 0.00190 -0.00098 100 4XX 0.00011 -0.00001 -0.00009 0.00000 -0.00000 101 4YY 0.00004 -0.00001 0.00034 0.00000 -0.00000 102 4ZZ -0.00002 0.00001 -0.00004 0.00000 -0.00000 103 4XY 0.00031 -0.00003 0.00020 -0.00000 -0.00000 104 4XZ 0.00000 0.00000 -0.00000 0.00046 -0.00038 105 4YZ -0.00000 -0.00000 -0.00000 -0.00031 0.00005 106 8 H 1S 0.00070 0.00004 0.00101 -0.00000 -0.00000 107 2S 0.00141 -0.00039 0.00267 -0.00000 -0.00000 108 9 H 1S -0.00315 0.00003 -0.00131 0.00000 0.00000 109 2S -0.00343 -0.00023 -0.00281 0.00000 0.00000 110 10 H 1S -0.00563 0.00080 -0.00405 0.00000 0.00000 111 2S -0.00686 0.00104 -0.00077 0.00000 0.00000 112 11 H 1S 0.01093 -0.00592 0.01260 -0.00000 -0.00000 113 2S 0.00904 -0.00178 0.01028 -0.00000 -0.00000 114 12 H 1S 0.00055 0.00020 -0.01069 0.00000 -0.00000 115 2S 0.00222 0.00042 -0.00924 0.00000 -0.00000 116 13 C 1S 0.00004 0.00005 0.00015 -0.00000 -0.00000 117 2S -0.00005 -0.00005 -0.00043 0.00000 0.00000 118 2PX -0.00009 -0.00019 -0.00063 0.00000 0.00000 119 2PY -0.00007 -0.00010 -0.00009 -0.00000 0.00000 120 2PZ 0.00000 0.00000 -0.00000 0.00251 -0.00086 121 3S -0.00081 -0.00067 0.00048 -0.00000 0.00000 122 3PX -0.00064 -0.00062 0.00149 -0.00000 0.00000 123 3PY 0.00012 0.00030 0.00028 -0.00000 0.00000 124 3PZ 0.00000 0.00000 -0.00000 0.00185 -0.00071 125 4XX -0.00001 -0.00002 0.00007 -0.00000 0.00000 126 4YY 0.00001 0.00001 -0.00004 -0.00000 0.00000 127 4ZZ 0.00001 0.00001 -0.00001 -0.00000 0.00000 128 4XY 0.00001 -0.00001 0.00011 -0.00000 -0.00000 129 4XZ -0.00000 -0.00000 -0.00000 -0.00009 0.00006 130 4YZ 0.00000 0.00000 -0.00000 0.00011 -0.00008 131 14 C 1S 0.00004 0.00003 -0.00064 0.00000 -0.00000 132 2S -0.00013 -0.00015 0.00143 -0.00000 0.00000 133 2PX -0.00039 -0.00079 0.00386 -0.00000 0.00000 134 2PY 0.00007 0.00044 -0.00002 -0.00000 0.00000 135 2PZ 0.00000 0.00000 -0.00000 0.00182 -0.00078 136 3S -0.00103 -0.00074 0.00329 -0.00000 0.00000 137 3PX 0.00007 -0.00021 0.00186 -0.00000 0.00000 138 3PY -0.00120 -0.00049 0.00236 -0.00000 0.00000 139 3PZ 0.00000 0.00000 -0.00000 0.00074 -0.00046 140 4XX -0.00002 -0.00005 0.00025 -0.00000 0.00000 141 4YY -0.00001 0.00002 -0.00008 0.00000 -0.00000 142 4ZZ 0.00000 0.00001 -0.00002 0.00000 -0.00000 143 4XY -0.00002 -0.00003 0.00012 -0.00000 0.00000 144 4XZ -0.00000 -0.00000 -0.00000 -0.00007 0.00002 145 4YZ -0.00000 -0.00000 0.00000 -0.00007 0.00003 146 15 C 1S -0.00004 -0.00013 0.00027 -0.00000 0.00000 147 2S -0.00001 0.00017 -0.00042 0.00000 -0.00000 148 2PX 0.00005 0.00040 -0.00069 0.00000 -0.00000 149 2PY -0.00016 -0.00042 0.00073 -0.00000 0.00000 150 2PZ -0.00000 -0.00000 -0.00000 -0.00026 0.00028 151 3S 0.00136 0.00090 -0.00302 0.00000 -0.00000 152 3PX 0.00028 0.00022 -0.00069 0.00000 -0.00000 153 3PY -0.00074 -0.00043 0.00130 -0.00000 0.00000 154 3PZ 0.00000 0.00000 -0.00000 0.00004 0.00014 155 4XX -0.00001 -0.00003 0.00012 -0.00000 0.00000 156 4YY 0.00002 0.00003 -0.00011 0.00000 -0.00000 157 4ZZ -0.00001 -0.00001 0.00003 0.00000 -0.00000 158 4XY -0.00000 -0.00000 -0.00006 -0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00010 -0.00005 160 4YZ -0.00000 -0.00000 0.00000 -0.00007 0.00003 161 16 C 1S 0.00002 0.00008 -0.00014 0.00000 -0.00000 162 2S -0.00002 -0.00012 0.00032 -0.00000 0.00000 163 2PX -0.00007 -0.00029 0.00070 -0.00000 0.00000 164 2PY 0.00000 -0.00006 -0.00013 0.00000 -0.00000 165 2PZ -0.00000 -0.00000 0.00000 -0.00183 0.00096 166 3S -0.00042 -0.00038 0.00125 -0.00000 0.00000 167 3PX -0.00008 -0.00019 0.00055 -0.00000 0.00000 168 3PY 0.00037 0.00013 -0.00052 0.00000 -0.00000 169 3PZ -0.00000 -0.00000 0.00000 -0.00138 0.00073 170 4XX -0.00000 0.00000 -0.00001 0.00000 -0.00000 171 4YY -0.00000 0.00001 -0.00002 -0.00000 0.00000 172 4ZZ 0.00001 0.00001 -0.00001 -0.00000 0.00000 173 4XY -0.00001 -0.00001 0.00005 -0.00000 0.00000 174 4XZ 0.00000 0.00000 -0.00000 0.00001 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00003 -0.00001 176 17 C 1S 0.00000 -0.00001 -0.00007 0.00000 -0.00000 177 2S -0.00002 -0.00002 0.00017 -0.00000 0.00000 178 2PX -0.00003 -0.00004 0.00014 -0.00000 0.00000 179 2PY -0.00002 0.00011 0.00002 0.00000 -0.00000 180 2PZ -0.00000 -0.00000 0.00000 -0.00105 0.00035 181 3S 0.00023 0.00014 0.00008 -0.00000 -0.00000 182 3PX 0.00015 0.00011 -0.00024 0.00000 -0.00000 183 3PY 0.00016 0.00009 -0.00039 0.00000 -0.00000 184 3PZ -0.00000 -0.00000 0.00000 -0.00087 0.00031 185 4XX 0.00000 0.00000 0.00001 -0.00000 -0.00000 186 4YY 0.00000 0.00000 -0.00002 0.00000 -0.00000 187 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 188 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 189 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 190 4YZ -0.00000 -0.00000 0.00000 -0.00010 0.00006 191 18 C 1S 0.00001 0.00000 -0.00012 0.00000 -0.00000 192 2S -0.00003 -0.00002 0.00023 -0.00000 0.00000 193 2PX -0.00006 0.00006 0.00054 -0.00000 0.00000 194 2PY -0.00002 -0.00006 0.00007 -0.00000 0.00000 195 2PZ 0.00000 0.00000 -0.00000 0.00134 -0.00080 196 3S -0.00036 -0.00033 0.00135 -0.00000 0.00000 197 3PX -0.00030 -0.00022 0.00112 -0.00000 0.00000 198 3PY 0.00002 -0.00012 -0.00030 -0.00000 0.00000 199 3PZ 0.00000 0.00000 -0.00000 0.00114 -0.00069 200 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 201 4YY 0.00001 0.00000 -0.00001 0.00000 -0.00000 202 4ZZ 0.00000 0.00000 -0.00001 0.00000 -0.00000 203 4XY -0.00000 0.00000 -0.00005 -0.00000 0.00000 204 4XZ 0.00000 0.00000 -0.00000 0.00012 -0.00004 205 4YZ -0.00000 -0.00000 0.00000 -0.00005 0.00002 206 19 H 1S 0.00000 0.00001 -0.00025 0.00000 -0.00000 207 2S -0.00004 -0.00010 -0.00028 0.00000 0.00000 208 20 H 1S 0.00001 0.00001 0.00003 -0.00000 -0.00000 209 2S 0.00004 0.00003 -0.00002 0.00000 -0.00000 210 21 H 1S 0.00002 0.00004 -0.00026 0.00000 -0.00000 211 2S -0.00004 0.00005 -0.00030 0.00000 -0.00000 212 22 H 1S -0.00000 0.00003 -0.00032 0.00000 -0.00000 213 2S 0.00011 0.00004 -0.00048 0.00000 -0.00000 214 23 H 1S 0.00003 -0.00035 0.00100 -0.00000 0.00000 215 2S 0.00011 0.00002 0.00045 -0.00000 -0.00000 216 24 C 1S -0.00014 -0.00004 -0.00023 0.00000 0.00000 217 2S 0.00029 0.00009 0.00054 -0.00000 -0.00000 218 2PX 0.00025 0.00002 0.00087 -0.00000 -0.00000 219 2PY 0.00038 0.00025 0.00067 -0.00000 -0.00000 220 2PZ 0.00000 0.00000 -0.00000 0.00196 -0.00089 221 3S 0.00071 0.00040 0.00065 -0.00000 -0.00000 222 3PX 0.00044 0.00050 -0.00058 0.00000 -0.00000 223 3PY 0.00044 0.00039 0.00017 -0.00000 -0.00000 224 3PZ 0.00000 0.00000 -0.00000 0.00155 -0.00073 225 4XX -0.00004 -0.00001 -0.00007 0.00000 0.00000 226 4YY 0.00003 0.00001 0.00003 0.00000 -0.00000 227 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 228 4XY -0.00002 0.00001 -0.00000 0.00000 -0.00000 229 4XZ -0.00000 -0.00000 0.00000 -0.00007 0.00006 230 4YZ -0.00000 -0.00000 0.00000 -0.00008 0.00008 231 25 C 1S 0.00006 0.00003 0.00010 -0.00000 -0.00000 232 2S -0.00014 -0.00008 -0.00020 0.00000 0.00000 233 2PX -0.00022 0.00001 -0.00065 0.00000 0.00000 234 2PY -0.00007 0.00007 -0.00016 -0.00000 0.00000 235 2PZ 0.00000 0.00000 -0.00000 0.00119 -0.00080 236 3S -0.00015 0.00016 -0.00093 0.00000 0.00000 237 3PX -0.00011 0.00017 -0.00084 0.00000 -0.00000 238 3PY -0.00017 -0.00011 -0.00002 -0.00000 0.00000 239 3PZ 0.00000 0.00000 -0.00000 0.00095 -0.00068 240 4XX 0.00001 0.00001 -0.00001 0.00000 -0.00000 241 4YY 0.00001 0.00000 0.00002 -0.00000 0.00000 242 4ZZ 0.00000 0.00000 0.00001 -0.00000 0.00000 243 4XY 0.00002 0.00001 0.00002 -0.00000 -0.00000 244 4XZ 0.00000 0.00000 -0.00000 0.00009 -0.00004 245 4YZ 0.00000 0.00000 -0.00000 0.00004 -0.00002 246 26 C 1S -0.00001 0.00001 -0.00006 0.00000 0.00000 247 2S 0.00005 -0.00000 0.00012 -0.00000 -0.00000 248 2PX 0.00005 -0.00004 0.00017 -0.00000 -0.00000 249 2PY 0.00012 -0.00007 0.00025 0.00000 -0.00000 250 2PZ -0.00000 -0.00000 0.00000 -0.00074 0.00037 251 3S 0.00002 -0.00009 0.00019 -0.00000 0.00000 252 3PX 0.00000 -0.00009 0.00018 -0.00000 0.00000 253 3PY 0.00003 0.00001 -0.00001 0.00000 -0.00000 254 3PZ -0.00000 -0.00000 0.00000 -0.00062 0.00032 255 4XX -0.00001 -0.00000 -0.00002 0.00000 0.00000 256 4YY 0.00000 -0.00000 0.00001 -0.00000 0.00000 257 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 258 4XY -0.00001 -0.00000 -0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 260 4YZ 0.00000 0.00000 -0.00000 0.00009 -0.00006 261 27 C 1S -0.00001 0.00001 0.00001 -0.00000 0.00000 262 2S 0.00002 -0.00001 -0.00002 0.00000 -0.00000 263 2PX 0.00005 -0.00009 -0.00002 0.00000 0.00000 264 2PY -0.00001 0.00001 0.00002 0.00000 -0.00000 265 2PZ -0.00000 -0.00000 0.00000 -0.00164 0.00097 266 3S -0.00009 0.00002 -0.00008 0.00000 0.00000 267 3PX -0.00003 -0.00005 0.00004 -0.00000 0.00000 268 3PY -0.00005 0.00004 -0.00008 0.00000 -0.00000 269 3PZ -0.00000 -0.00000 0.00000 -0.00117 0.00073 270 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00001 0.00000 -0.00000 272 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 273 4XY 0.00000 -0.00000 0.00001 -0.00000 -0.00000 274 4XZ -0.00000 -0.00000 -0.00000 -0.00001 0.00000 275 4YZ -0.00000 -0.00000 0.00000 -0.00002 0.00001 276 28 C 1S 0.00001 -0.00003 -0.00002 0.00000 0.00000 277 2S -0.00002 0.00004 0.00003 -0.00000 -0.00000 278 2PX -0.00009 0.00012 0.00002 -0.00000 0.00000 279 2PY -0.00003 0.00005 0.00012 0.00000 -0.00000 280 2PZ -0.00000 -0.00000 0.00000 -0.00057 0.00027 281 3S 0.00028 0.00000 0.00034 -0.00000 -0.00000 282 3PX -0.00001 0.00002 0.00021 -0.00000 0.00000 283 3PY 0.00014 -0.00003 0.00024 0.00000 -0.00000 284 3PZ -0.00000 -0.00000 0.00000 -0.00041 0.00015 285 4XX -0.00000 -0.00000 -0.00002 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00001 -0.00000 0.00000 287 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 288 4XY -0.00001 0.00000 -0.00001 -0.00000 0.00000 289 4XZ 0.00000 0.00000 -0.00000 0.00008 -0.00005 290 4YZ 0.00000 0.00000 -0.00000 0.00005 -0.00003 291 29 C 1S 0.00004 0.00001 0.00003 -0.00000 -0.00000 292 2S -0.00008 -0.00004 -0.00007 0.00000 0.00000 293 2PX -0.00010 -0.00007 -0.00037 0.00000 0.00000 294 2PY 0.00018 -0.00013 0.00013 -0.00000 0.00000 295 2PZ 0.00000 0.00000 -0.00000 0.00131 -0.00081 296 3S -0.00050 -0.00011 -0.00028 0.00000 0.00000 297 3PX -0.00022 -0.00019 -0.00010 0.00000 0.00000 298 3PY 0.00027 -0.00008 0.00045 -0.00000 0.00000 299 3PZ 0.00000 0.00000 -0.00000 0.00088 -0.00051 300 4XX -0.00001 -0.00001 -0.00005 0.00000 0.00000 301 4YY -0.00000 0.00001 0.00003 -0.00000 0.00000 302 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 303 4XY 0.00001 0.00000 0.00001 0.00000 -0.00000 304 4XZ -0.00000 -0.00000 -0.00000 -0.00002 0.00001 305 4YZ 0.00000 0.00000 -0.00000 0.00008 -0.00004 306 30 H 1S 0.00015 -0.00007 -0.00002 0.00000 -0.00000 307 2S 0.00026 0.00019 -0.00017 0.00000 -0.00000 308 31 H 1S 0.00001 0.00003 -0.00001 0.00000 -0.00000 309 2S 0.00006 -0.00001 0.00005 -0.00000 -0.00000 310 32 H 1S 0.00001 0.00002 0.00003 -0.00000 -0.00000 311 2S 0.00002 0.00002 0.00006 -0.00000 -0.00000 312 33 H 1S -0.00004 0.00001 -0.00010 0.00000 0.00000 313 2S -0.00008 -0.00003 -0.00013 0.00000 0.00000 314 34 H 1S -0.00003 -0.00000 -0.00002 0.00000 0.00000 315 2S 0.00006 0.00014 -0.00018 0.00000 -0.00000 61 62 63 64 65 61 5 C 1S 2.05361 62 2S -0.06703 0.34132 63 2PX -0.00266 -0.00307 0.44385 64 2PY -0.00000 0.00000 -0.00000 0.43703 65 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.29300 66 3S -0.16892 0.26072 0.03218 -0.00000 0.00000 67 3PX -0.00658 0.03492 0.13502 0.00000 0.00000 68 3PY -0.00000 0.00000 0.00000 0.13259 -0.00000 69 3PZ -0.00000 0.00000 0.00000 -0.00000 0.18401 70 4XX -0.02108 0.00379 0.02093 -0.00000 0.00000 71 4YY -0.01614 -0.00502 -0.01244 0.00000 -0.00000 72 4ZZ -0.01144 -0.01597 -0.00067 0.00000 -0.00000 73 4XY -0.00000 -0.00000 -0.00000 -0.01890 0.00000 74 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00945 75 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 76 6 C 1S 0.01666 -0.03365 0.04139 0.06895 -0.00000 77 2S -0.03353 0.05814 -0.08076 -0.14548 0.00000 78 2PX -0.04262 0.09308 -0.07842 -0.16096 0.00000 79 2PY -0.06735 0.13918 -0.14531 -0.23428 0.00000 80 2PZ 0.00000 -0.00000 0.00000 0.00000 0.20552 81 3S 0.00549 0.02426 -0.09694 -0.09096 0.00000 82 3PX -0.00646 0.01173 -0.00620 -0.07187 0.00000 83 3PY -0.00849 0.03728 -0.03680 -0.05680 -0.00000 84 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.12865 85 4XX 0.00017 -0.00198 0.01320 0.00163 -0.00000 86 4YY -0.00408 0.00714 -0.01152 0.00478 -0.00000 87 4ZZ 0.00186 -0.00428 0.00403 0.00484 -0.00000 88 4XY -0.00525 0.01046 0.00000 -0.01136 0.00000 89 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00397 90 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.01018 91 7 C 1S -0.00269 0.00771 -0.01095 -0.00733 0.00000 92 2S 0.00737 -0.01778 0.02820 0.02338 -0.00000 93 2PX 0.01572 -0.04216 0.04716 0.03328 -0.00000 94 2PY 0.00696 -0.01735 0.01346 0.02311 -0.00000 95 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.02250 96 3S -0.00783 -0.00475 0.04899 -0.03913 0.00000 97 3PX 0.00612 -0.02176 0.05162 0.01337 -0.00000 98 3PY -0.00466 0.00270 -0.02625 -0.00896 0.00000 99 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00645 100 4XX -0.00028 0.00053 -0.00307 -0.00304 0.00000 101 4YY -0.00040 0.00140 -0.00139 -0.00188 0.00000 102 4ZZ 0.00010 0.00014 0.00026 0.00054 0.00000 103 4XY -0.00193 0.00413 -0.00540 -0.00836 0.00000 104 4XZ 0.00000 -0.00000 0.00000 0.00000 0.01080 105 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00216 106 8 H 1S -0.00831 0.02003 -0.01925 -0.03146 0.00000 107 2S -0.00950 0.02423 -0.04747 -0.03601 0.00000 108 9 H 1S 0.01221 -0.02701 0.00437 0.05010 -0.00000 109 2S 0.01361 -0.02485 0.00296 0.09081 -0.00000 110 10 H 1S -0.06236 0.11909 0.27208 -0.00000 0.00000 111 2S -0.01158 0.02086 0.21192 -0.00000 0.00000 112 11 H 1S 0.01221 -0.02701 0.00437 -0.05010 0.00000 113 2S 0.01361 -0.02485 0.00296 -0.09081 0.00000 114 12 H 1S -0.00831 0.02003 -0.01925 0.03146 -0.00000 115 2S -0.00950 0.02423 -0.04747 0.03601 -0.00000 116 13 C 1S -0.00009 0.00005 -0.00020 -0.00028 0.00000 117 2S -0.00006 0.00018 0.00023 0.00300 -0.00000 118 2PX 0.00018 0.00026 0.00030 0.00219 -0.00000 119 2PY -0.00012 0.00097 -0.00026 -0.00076 -0.00000 120 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.03204 121 3S 0.00179 -0.00266 -0.00057 -0.02843 0.00000 122 3PX 0.00220 -0.00415 0.00761 -0.03558 0.00000 123 3PY 0.00003 -0.00071 -0.00011 0.01250 -0.00000 124 3PZ 0.00000 0.00000 0.00000 -0.00000 0.02595 125 4XX 0.00002 -0.00006 -0.00006 -0.00044 0.00000 126 4YY -0.00003 0.00008 -0.00011 -0.00022 -0.00000 127 4ZZ -0.00006 0.00009 -0.00007 0.00033 -0.00000 128 4XY 0.00016 -0.00024 0.00021 -0.00015 0.00000 129 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00195 130 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00248 131 14 C 1S -0.00079 0.00164 -0.00198 0.00287 -0.00000 132 2S 0.00150 -0.00336 0.00442 -0.00531 0.00000 133 2PX 0.00419 -0.00833 0.00946 -0.01526 0.00000 134 2PY -0.00060 -0.00031 -0.00017 0.00126 -0.00000 135 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.02803 136 3S 0.00609 -0.01102 0.00896 -0.02842 0.00000 137 3PX 0.00142 -0.00309 0.00263 -0.00188 0.00000 138 3PY 0.00473 -0.00925 0.00667 -0.03183 0.00000 139 3PZ -0.00000 0.00000 -0.00000 0.00000 0.01658 140 4XX 0.00027 -0.00050 0.00042 -0.00117 0.00000 141 4YY -0.00005 0.00006 -0.00007 0.00043 0.00000 142 4ZZ -0.00005 0.00007 -0.00003 0.00016 0.00000 143 4XY 0.00009 -0.00024 0.00049 -0.00021 0.00000 144 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00061 145 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00119 146 15 C 1S 0.00036 -0.00050 0.00069 -0.00119 0.00000 147 2S -0.00039 0.00051 -0.00108 0.00086 -0.00000 148 2PX -0.00097 0.00092 -0.00122 0.00269 -0.00000 149 2PY 0.00101 -0.00133 0.00196 -0.00365 0.00000 150 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00819 151 3S -0.00637 0.01131 -0.00940 0.03421 -0.00000 152 3PX -0.00092 0.00178 -0.00185 0.00772 -0.00000 153 3PY 0.00294 -0.00537 0.00506 -0.01606 0.00000 154 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00410 155 4XX 0.00010 -0.00024 0.00038 -0.00037 0.00000 156 4YY -0.00014 0.00028 -0.00031 0.00061 0.00000 157 4ZZ 0.00008 -0.00012 0.00009 -0.00029 0.00000 158 4XY -0.00003 0.00011 -0.00023 0.00009 -0.00000 159 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00175 160 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00110 161 16 C 1S -0.00023 0.00029 -0.00044 0.00076 -0.00000 162 2S 0.00029 -0.00051 0.00089 -0.00081 0.00000 163 2PX 0.00088 -0.00115 0.00152 -0.00275 0.00000 164 2PY 0.00000 0.00037 -0.00018 -0.00017 0.00000 165 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.03226 166 3S 0.00272 -0.00457 0.00481 -0.01192 0.00000 167 3PX 0.00091 -0.00137 0.00115 -0.00304 0.00000 168 3PY -0.00148 0.00273 -0.00218 0.00919 0.00000 169 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.02434 170 4XX 0.00000 0.00002 -0.00008 0.00000 -0.00000 171 4YY -0.00002 0.00002 -0.00000 0.00004 -0.00000 172 4ZZ -0.00004 0.00005 -0.00001 0.00015 -0.00000 173 4XY 0.00005 -0.00011 0.00015 -0.00023 0.00000 174 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00006 175 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00038 176 17 C 1S -0.00005 0.00015 -0.00011 0.00004 -0.00000 177 2S 0.00016 -0.00041 0.00048 -0.00074 0.00000 178 2PX 0.00017 -0.00038 0.00050 -0.00009 0.00000 179 2PY -0.00016 -0.00021 0.00010 -0.00018 0.00000 180 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.01305 181 3S -0.00047 0.00048 -0.00103 0.00935 -0.00000 182 3PX -0.00063 0.00104 -0.00190 0.00729 -0.00000 183 3PY -0.00095 0.00166 -0.00183 0.00368 0.00000 184 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.01120 185 4XX 0.00000 0.00000 -0.00003 0.00004 -0.00000 186 4YY -0.00001 0.00003 -0.00003 0.00013 0.00000 187 4ZZ 0.00001 -0.00001 0.00004 -0.00008 0.00000 188 4XY -0.00001 0.00002 0.00002 -0.00003 0.00000 189 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00002 190 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00191 191 18 C 1S -0.00007 0.00015 -0.00020 0.00052 -0.00000 192 2S 0.00008 -0.00026 0.00015 -0.00037 0.00000 193 2PX 0.00004 -0.00064 0.00036 -0.00216 0.00000 194 2PY 0.00007 0.00009 -0.00006 0.00022 -0.00000 195 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.02646 196 3S 0.00149 -0.00309 0.00644 -0.02085 0.00000 197 3PX 0.00130 -0.00271 0.00466 -0.01546 0.00000 198 3PY -0.00057 0.00143 -0.00046 -0.00582 -0.00000 199 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.02255 200 4XX 0.00001 -0.00002 0.00010 -0.00013 0.00000 201 4YY -0.00001 0.00002 -0.00003 -0.00000 0.00000 202 4ZZ -0.00001 0.00001 -0.00002 0.00011 0.00000 203 4XY -0.00004 0.00011 -0.00011 0.00015 -0.00000 204 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00154 205 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00056 206 19 H 1S -0.00016 0.00043 -0.00027 0.00051 -0.00000 207 2S -0.00033 0.00091 -0.00025 -0.00656 0.00000 208 20 H 1S -0.00004 0.00007 -0.00015 -0.00014 0.00000 209 2S -0.00021 0.00040 -0.00079 0.00177 -0.00000 210 21 H 1S -0.00021 0.00050 -0.00057 0.00064 -0.00000 211 2S -0.00004 0.00021 -0.00078 -0.00089 0.00000 212 22 H 1S -0.00037 0.00067 -0.00081 0.00109 -0.00000 213 2S -0.00067 0.00149 -0.00213 0.00255 -0.00000 214 23 H 1S 0.00118 -0.00167 0.00129 -0.00328 0.00000 215 2S -0.00109 0.00053 0.00626 0.01065 -0.00000 216 24 C 1S -0.00009 0.00005 -0.00020 0.00028 -0.00000 217 2S -0.00006 0.00018 0.00023 -0.00300 0.00000 218 2PX 0.00018 0.00026 0.00030 -0.00219 0.00000 219 2PY 0.00012 -0.00097 0.00026 -0.00076 -0.00000 220 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.03204 221 3S 0.00179 -0.00266 -0.00057 0.02842 -0.00000 222 3PX 0.00220 -0.00415 0.00761 0.03558 -0.00000 223 3PY -0.00003 0.00071 0.00011 0.01250 -0.00000 224 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.02595 225 4XX 0.00002 -0.00006 -0.00006 0.00044 -0.00000 226 4YY -0.00003 0.00008 -0.00011 0.00022 0.00000 227 4ZZ -0.00006 0.00009 -0.00007 -0.00033 0.00000 228 4XY -0.00016 0.00024 -0.00021 -0.00015 0.00000 229 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00195 230 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00248 231 25 C 1S -0.00007 0.00015 -0.00020 -0.00052 0.00000 232 2S 0.00008 -0.00026 0.00015 0.00037 -0.00000 233 2PX 0.00004 -0.00064 0.00036 0.00216 -0.00000 234 2PY -0.00007 -0.00009 0.00006 0.00022 -0.00000 235 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.02646 236 3S 0.00149 -0.00309 0.00644 0.02085 -0.00000 237 3PX 0.00130 -0.00271 0.00466 0.01546 -0.00000 238 3PY 0.00057 -0.00143 0.00046 -0.00582 -0.00000 239 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.02255 240 4XX 0.00001 -0.00002 0.00010 0.00013 -0.00000 241 4YY -0.00001 0.00002 -0.00003 0.00000 -0.00000 242 4ZZ -0.00001 0.00001 -0.00002 -0.00011 -0.00000 243 4XY 0.00004 -0.00011 0.00011 0.00015 -0.00000 244 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00154 245 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00056 246 26 C 1S -0.00005 0.00015 -0.00011 -0.00004 0.00000 247 2S 0.00016 -0.00041 0.00048 0.00074 -0.00000 248 2PX 0.00017 -0.00038 0.00050 0.00009 -0.00000 249 2PY 0.00016 0.00021 -0.00010 -0.00018 0.00000 250 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.01305 251 3S -0.00047 0.00048 -0.00103 -0.00935 0.00000 252 3PX -0.00063 0.00104 -0.00190 -0.00729 0.00000 253 3PY 0.00095 -0.00166 0.00183 0.00368 0.00000 254 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.01120 255 4XX 0.00000 0.00000 -0.00003 -0.00004 0.00000 256 4YY -0.00001 0.00003 -0.00003 -0.00013 -0.00000 257 4ZZ 0.00001 -0.00001 0.00004 0.00008 -0.00000 258 4XY 0.00001 -0.00002 -0.00002 -0.00003 0.00000 259 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00002 260 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00191 261 27 C 1S -0.00023 0.00029 -0.00044 -0.00076 0.00000 262 2S 0.00029 -0.00051 0.00089 0.00081 -0.00000 263 2PX 0.00088 -0.00115 0.00152 0.00275 -0.00000 264 2PY -0.00000 -0.00037 0.00018 -0.00017 0.00000 265 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.03226 266 3S 0.00272 -0.00457 0.00481 0.01192 -0.00000 267 3PX 0.00091 -0.00137 0.00115 0.00304 -0.00000 268 3PY 0.00148 -0.00273 0.00218 0.00919 0.00000 269 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.02434 270 4XX 0.00000 0.00002 -0.00008 -0.00000 -0.00000 271 4YY -0.00002 0.00002 -0.00000 -0.00004 0.00000 272 4ZZ -0.00004 0.00005 -0.00001 -0.00015 0.00000 273 4XY -0.00005 0.00011 -0.00015 -0.00023 0.00000 274 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00006 275 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00038 276 28 C 1S 0.00036 -0.00050 0.00069 0.00119 -0.00000 277 2S -0.00039 0.00051 -0.00108 -0.00086 0.00000 278 2PX -0.00097 0.00092 -0.00122 -0.00269 0.00000 279 2PY -0.00101 0.00133 -0.00196 -0.00365 0.00000 280 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00819 281 3S -0.00637 0.01131 -0.00940 -0.03421 0.00000 282 3PX -0.00092 0.00178 -0.00185 -0.00772 0.00000 283 3PY -0.00294 0.00537 -0.00506 -0.01606 0.00000 284 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00410 285 4XX 0.00010 -0.00024 0.00038 0.00037 -0.00000 286 4YY -0.00014 0.00028 -0.00031 -0.00061 -0.00000 287 4ZZ 0.00008 -0.00012 0.00009 0.00029 -0.00000 288 4XY 0.00003 -0.00011 0.00023 0.00009 -0.00000 289 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00175 290 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00110 291 29 C 1S -0.00079 0.00164 -0.00198 -0.00287 0.00000 292 2S 0.00150 -0.00336 0.00442 0.00531 -0.00000 293 2PX 0.00419 -0.00833 0.00946 0.01526 -0.00000 294 2PY 0.00060 0.00031 0.00017 0.00126 -0.00000 295 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.02803 296 3S 0.00609 -0.01102 0.00896 0.02842 -0.00000 297 3PX 0.00142 -0.00309 0.00263 0.00188 -0.00000 298 3PY -0.00473 0.00925 -0.00667 -0.03183 0.00000 299 3PZ 0.00000 -0.00000 0.00000 0.00000 0.01658 300 4XX 0.00027 -0.00050 0.00042 0.00117 -0.00000 301 4YY -0.00005 0.00006 -0.00007 -0.00043 -0.00000 302 4ZZ -0.00005 0.00007 -0.00003 -0.00016 -0.00000 303 4XY -0.00009 0.00024 -0.00049 -0.00021 0.00000 304 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00061 305 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00119 306 30 H 1S 0.00118 -0.00167 0.00129 0.00328 -0.00000 307 2S -0.00109 0.00053 0.00626 -0.01065 0.00000 308 31 H 1S -0.00037 0.00067 -0.00081 -0.00109 0.00000 309 2S -0.00067 0.00149 -0.00213 -0.00255 0.00000 310 32 H 1S -0.00021 0.00050 -0.00057 -0.00064 0.00000 311 2S -0.00004 0.00021 -0.00078 0.00089 -0.00000 312 33 H 1S -0.00004 0.00007 -0.00015 0.00014 -0.00000 313 2S -0.00021 0.00040 -0.00079 -0.00177 0.00000 314 34 H 1S -0.00016 0.00043 -0.00027 -0.00051 0.00000 315 2S -0.00033 0.00091 -0.00025 0.00656 -0.00000 66 67 68 69 70 66 3S 0.22415 67 3PX 0.03268 0.04902 68 3PY 0.00000 0.00000 0.04821 69 3PZ 0.00000 0.00000 -0.00000 0.11649 70 4XX 0.00678 0.00605 0.00000 0.00000 0.00193 71 4YY -0.00578 -0.00408 -0.00000 -0.00000 -0.00102 72 4ZZ -0.01125 -0.00166 0.00000 -0.00000 -0.00015 73 4XY 0.00000 -0.00000 -0.00439 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 -0.00574 0.00000 75 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 76 6 C 1S 0.00492 0.00376 0.00972 -0.00000 0.00060 77 2S 0.02358 -0.02675 -0.02705 0.00000 -0.00222 78 2PX 0.04635 -0.00136 -0.06800 0.00000 -0.01298 79 2PY 0.11681 -0.03143 -0.06497 -0.00000 0.00058 80 2PZ -0.00000 0.00000 -0.00000 0.12568 -0.00000 81 3S -0.01416 -0.02424 -0.00953 0.00000 -0.00551 82 3PX 0.00195 0.00068 -0.02457 0.00000 -0.00381 83 3PY 0.03033 -0.00515 -0.01332 -0.00000 0.00000 84 3PZ -0.00000 0.00000 -0.00000 0.07933 -0.00000 85 4XX 0.00038 0.00352 0.00075 -0.00000 0.00091 86 4YY 0.00329 -0.00219 0.00066 -0.00000 -0.00089 87 4ZZ -0.00243 0.00122 0.00090 -0.00000 0.00008 88 4XY 0.01026 0.00110 -0.00453 0.00000 0.00027 89 4XZ -0.00000 -0.00000 0.00000 0.00290 -0.00000 90 4YZ -0.00000 0.00000 -0.00000 0.00633 0.00000 91 7 C 1S -0.01214 0.00623 -0.00384 0.00000 -0.00185 92 2S 0.00519 -0.00059 0.01150 -0.00000 0.00422 93 2PX -0.02968 -0.00341 0.03516 -0.00000 0.01092 94 2PY -0.04492 0.00437 0.03971 -0.00000 0.00195 95 2PZ 0.00000 -0.00000 -0.00000 0.00378 -0.00000 96 3S 0.02389 0.00343 -0.00774 0.00000 0.00419 97 3PX -0.01355 0.00601 0.01300 -0.00000 0.00482 98 3PY -0.01120 -0.00733 0.00557 -0.00000 -0.00025 99 3PZ 0.00000 0.00000 -0.00000 -0.00232 0.00000 100 4XX -0.00043 -0.00127 0.00059 -0.00000 0.00006 101 4YY 0.00160 -0.00002 -0.00297 0.00000 -0.00039 102 4ZZ -0.00037 0.00039 0.00023 0.00000 -0.00014 103 4XY 0.00488 -0.00154 -0.00361 -0.00000 0.00003 104 4XZ -0.00000 0.00000 -0.00000 0.00693 -0.00000 105 4YZ -0.00000 -0.00000 0.00000 -0.00182 0.00000 106 8 H 1S 0.03692 -0.00267 -0.03504 0.00000 -0.00238 107 2S 0.02739 -0.01005 -0.03449 0.00000 -0.00332 108 9 H 1S -0.04531 0.00062 0.01446 -0.00000 -0.00580 109 2S -0.03666 0.00207 0.02521 -0.00000 -0.00463 110 10 H 1S 0.11708 0.09361 0.00000 0.00000 0.01630 111 2S 0.03630 0.06276 0.00000 0.00000 0.01324 112 11 H 1S -0.04531 0.00062 -0.01446 0.00000 -0.00580 113 2S -0.03666 0.00207 -0.02521 0.00000 -0.00463 114 12 H 1S 0.03692 -0.00267 0.03504 -0.00000 -0.00238 115 2S 0.02739 -0.01005 0.03449 -0.00000 -0.00332 116 13 C 1S 0.00128 -0.00047 0.00001 -0.00000 0.00009 117 2S -0.00041 0.00014 0.00103 -0.00000 -0.00023 118 2PX -0.00563 0.00588 -0.00027 0.00000 -0.00021 119 2PY -0.00757 0.00765 0.00369 -0.00000 0.00026 120 2PZ 0.00000 -0.00000 -0.00000 0.02640 -0.00000 121 3S -0.00594 0.00093 -0.01461 0.00000 -0.00001 122 3PX -0.00483 0.00210 -0.01748 0.00000 0.00015 123 3PY 0.00297 -0.00400 0.00505 -0.00000 0.00026 124 3PZ -0.00000 0.00000 -0.00000 0.02062 -0.00000 125 4XX -0.00053 0.00033 -0.00010 0.00000 0.00007 126 4YY 0.00055 -0.00037 -0.00015 -0.00000 -0.00005 127 4ZZ 0.00008 0.00002 0.00017 -0.00000 -0.00001 128 4XY -0.00108 0.00056 -0.00004 0.00000 -0.00001 129 4XZ 0.00000 -0.00000 0.00000 -0.00127 0.00000 130 4YZ -0.00000 0.00000 -0.00000 0.00165 0.00000 131 14 C 1S 0.00475 -0.00183 0.00227 -0.00000 -0.00022 132 2S -0.00961 0.00400 -0.00388 0.00000 0.00045 133 2PX -0.03064 0.01682 -0.00614 0.00000 0.00133 134 2PY 0.01679 -0.01451 -0.00408 -0.00000 0.00004 135 2PZ -0.00000 0.00000 -0.00000 0.02161 0.00000 136 3S -0.02231 0.00785 -0.01400 0.00000 0.00142 137 3PX -0.01104 0.00452 -0.00174 0.00000 0.00053 138 3PY -0.00299 -0.00604 -0.01803 0.00000 0.00112 139 3PZ 0.00000 0.00000 0.00000 0.01265 -0.00000 140 4XX -0.00175 0.00083 -0.00044 0.00000 0.00008 141 4YY 0.00076 -0.00050 -0.00003 0.00000 -0.00002 142 4ZZ 0.00041 -0.00023 -0.00000 0.00000 -0.00001 143 4XY -0.00108 0.00066 -0.00005 0.00000 0.00005 144 4XZ 0.00000 -0.00000 0.00000 -0.00048 -0.00000 145 4YZ -0.00000 0.00000 0.00000 -0.00095 0.00000 146 15 C 1S -0.00468 0.00317 0.00016 0.00000 0.00010 147 2S 0.00779 -0.00559 -0.00088 0.00000 -0.00014 148 2PX 0.01705 -0.01277 -0.00280 0.00000 -0.00025 149 2PY -0.01237 0.01013 0.00135 0.00000 0.00027 150 2PZ 0.00000 -0.00000 0.00000 -0.00576 -0.00000 151 3S 0.02041 -0.00676 0.01555 -0.00000 -0.00145 152 3PX 0.00621 -0.00345 0.00290 -0.00000 -0.00028 153 3PY -0.00855 0.00340 -0.00719 0.00000 0.00070 154 3PZ 0.00000 -0.00000 0.00000 -0.00288 -0.00000 155 4XX -0.00120 0.00078 -0.00006 0.00000 0.00004 156 4YY 0.00098 -0.00054 0.00023 0.00000 -0.00004 157 4ZZ -0.00038 0.00021 -0.00010 0.00000 0.00001 158 4XY 0.00032 -0.00012 0.00014 -0.00000 -0.00002 159 4XZ -0.00000 0.00000 -0.00000 0.00132 0.00000 160 4YZ -0.00000 0.00000 0.00000 -0.00083 0.00000 161 16 C 1S 0.00272 -0.00173 0.00005 -0.00000 -0.00005 162 2S -0.00457 0.00305 0.00017 -0.00000 0.00010 163 2PX -0.01272 0.00944 0.00174 -0.00000 0.00025 164 2PY -0.00179 0.00261 0.00090 0.00000 -0.00001 165 2PZ 0.00000 -0.00000 0.00000 -0.02434 0.00000 166 3S -0.00951 0.00404 -0.00576 0.00000 0.00052 167 3PX -0.00701 0.00439 -0.00014 0.00000 0.00022 168 3PY 0.00062 0.00171 0.00531 0.00000 -0.00026 169 3PZ -0.00000 -0.00000 0.00000 -0.01814 0.00000 170 4XX 0.00012 -0.00008 -0.00001 0.00000 -0.00000 171 4YY 0.00030 -0.00021 -0.00002 -0.00000 -0.00001 172 4ZZ 0.00012 -0.00004 0.00005 -0.00000 -0.00001 173 4XY -0.00036 0.00021 -0.00010 0.00000 0.00002 174 4XZ 0.00000 -0.00000 0.00000 -0.00001 -0.00000 175 4YZ -0.00000 0.00000 -0.00000 0.00034 0.00000 176 17 C 1S 0.00038 -0.00017 0.00002 -0.00000 0.00001 177 2S -0.00120 0.00059 -0.00029 0.00000 -0.00002 178 2PX -0.00217 0.00112 0.00121 -0.00000 -0.00004 179 2PY 0.00610 -0.00580 -0.00260 0.00000 0.00009 180 2PZ -0.00000 0.00000 0.00000 -0.01122 -0.00000 181 3S 0.00002 -0.00036 0.00450 -0.00000 -0.00011 182 3PX 0.00039 -0.00019 0.00397 -0.00000 -0.00011 183 3PY 0.00254 -0.00107 0.00156 0.00000 -0.00009 184 3PZ -0.00000 0.00000 0.00000 -0.00938 0.00000 185 4XX -0.00011 0.00008 0.00009 -0.00000 0.00001 186 4YY 0.00006 -0.00002 0.00003 0.00000 -0.00001 187 4ZZ 0.00002 -0.00001 -0.00006 0.00000 0.00000 188 4XY -0.00002 0.00001 -0.00010 0.00000 -0.00001 189 4XZ 0.00000 -0.00000 0.00000 -0.00005 0.00000 190 4YZ -0.00000 0.00000 0.00000 -0.00138 0.00000 191 18 C 1S 0.00137 -0.00064 -0.00041 0.00000 -0.00009 192 2S -0.00203 0.00111 0.00118 -0.00000 0.00019 193 2PX 0.00300 -0.00390 -0.00021 -0.00000 0.00032 194 2PY -0.00386 0.00359 0.00303 -0.00000 -0.00007 195 2PZ 0.00000 -0.00000 -0.00000 0.01845 0.00000 196 3S -0.00420 0.00218 -0.00938 0.00000 0.00053 197 3PX -0.00053 -0.00107 -0.00693 0.00000 0.00037 198 3PY -0.00118 0.00288 -0.00087 -0.00000 -0.00020 199 3PZ 0.00000 -0.00000 -0.00000 0.01560 0.00000 200 4XX 0.00006 -0.00004 -0.00009 0.00000 -0.00000 201 4YY 0.00002 -0.00001 -0.00006 0.00000 -0.00001 202 4ZZ 0.00001 0.00001 0.00000 0.00000 -0.00000 203 4XY 0.00012 0.00002 0.00007 -0.00000 0.00001 204 4XZ -0.00000 -0.00000 -0.00000 0.00126 -0.00000 205 4YZ -0.00000 0.00000 0.00000 -0.00049 0.00000 206 19 H 1S 0.00069 -0.00003 -0.00068 0.00000 -0.00002 207 2S 0.00146 0.00012 -0.00302 0.00000 -0.00012 208 20 H 1S 0.00019 0.00001 -0.00043 0.00000 0.00006 209 2S 0.00015 0.00005 0.00085 -0.00000 0.00008 210 21 H 1S 0.00217 -0.00109 0.00006 -0.00000 -0.00009 211 2S 0.00337 -0.00236 -0.00078 0.00000 -0.00010 212 22 H 1S 0.00376 -0.00168 0.00048 -0.00000 -0.00012 213 2S 0.00291 -0.00091 0.00180 -0.00000 -0.00023 214 23 H 1S -0.01543 0.01045 0.00198 -0.00000 0.00041 215 2S -0.00872 0.00968 0.00534 -0.00000 0.00019 216 24 C 1S 0.00128 -0.00047 -0.00001 -0.00000 0.00009 217 2S -0.00041 0.00014 -0.00103 0.00000 -0.00023 218 2PX -0.00563 0.00588 0.00027 0.00000 -0.00021 219 2PY 0.00757 -0.00765 0.00369 -0.00000 -0.00026 220 2PZ -0.00000 0.00000 -0.00000 0.02640 0.00000 221 3S -0.00594 0.00093 0.01461 -0.00000 -0.00001 222 3PX -0.00483 0.00210 0.01748 -0.00000 0.00015 223 3PY -0.00297 0.00400 0.00505 -0.00000 -0.00026 224 3PZ 0.00000 -0.00000 -0.00000 0.02062 0.00000 225 4XX -0.00053 0.00033 0.00010 -0.00000 0.00007 226 4YY 0.00055 -0.00037 0.00015 0.00000 -0.00005 227 4ZZ 0.00008 0.00002 -0.00017 0.00000 -0.00001 228 4XY 0.00108 -0.00056 -0.00004 0.00000 0.00001 229 4XZ -0.00000 0.00000 0.00000 -0.00127 -0.00000 230 4YZ -0.00000 0.00000 0.00000 -0.00165 0.00000 231 25 C 1S 0.00137 -0.00064 0.00041 -0.00000 -0.00009 232 2S -0.00203 0.00111 -0.00118 0.00000 0.00019 233 2PX 0.00300 -0.00390 0.00021 -0.00000 0.00032 234 2PY 0.00386 -0.00359 0.00303 -0.00000 0.00007 235 2PZ -0.00000 0.00000 -0.00000 0.01845 -0.00000 236 3S -0.00420 0.00218 0.00938 -0.00000 0.00053 237 3PX -0.00053 -0.00107 0.00693 -0.00000 0.00037 238 3PY 0.00118 -0.00288 -0.00087 -0.00000 0.00020 239 3PZ -0.00000 0.00000 -0.00000 0.01560 -0.00000 240 4XX 0.00006 -0.00004 0.00009 -0.00000 -0.00000 241 4YY 0.00002 -0.00001 0.00006 -0.00000 -0.00001 242 4ZZ 0.00001 0.00001 -0.00000 -0.00000 -0.00000 243 4XY -0.00012 -0.00002 0.00007 -0.00000 -0.00001 244 4XZ 0.00000 0.00000 -0.00000 0.00126 0.00000 245 4YZ -0.00000 0.00000 -0.00000 0.00049 0.00000 246 26 C 1S 0.00038 -0.00017 -0.00002 0.00000 0.00001 247 2S -0.00120 0.00059 0.00029 -0.00000 -0.00002 248 2PX -0.00217 0.00112 -0.00121 0.00000 -0.00004 249 2PY -0.00610 0.00580 -0.00260 0.00000 -0.00009 250 2PZ 0.00000 -0.00000 0.00000 -0.01122 0.00000 251 3S 0.00002 -0.00036 -0.00450 0.00000 -0.00011 252 3PX 0.00039 -0.00019 -0.00397 0.00000 -0.00011 253 3PY -0.00254 0.00107 0.00156 0.00000 0.00009 254 3PZ 0.00000 -0.00000 0.00000 -0.00938 -0.00000 255 4XX -0.00011 0.00008 -0.00009 0.00000 0.00001 256 4YY 0.00006 -0.00002 -0.00003 -0.00000 -0.00001 257 4ZZ 0.00002 -0.00001 0.00006 -0.00000 0.00000 258 4XY 0.00002 -0.00001 -0.00010 0.00000 0.00001 259 4XZ -0.00000 0.00000 0.00000 -0.00005 -0.00000 260 4YZ -0.00000 0.00000 -0.00000 0.00138 0.00000 261 27 C 1S 0.00272 -0.00173 -0.00005 -0.00000 -0.00005 262 2S -0.00457 0.00305 -0.00017 0.00000 0.00010 263 2PX -0.01272 0.00944 -0.00174 0.00000 0.00025 264 2PY 0.00179 -0.00261 0.00090 0.00000 0.00001 265 2PZ -0.00000 0.00000 0.00000 -0.02434 -0.00000 266 3S -0.00951 0.00404 0.00576 -0.00000 0.00052 267 3PX -0.00701 0.00439 0.00014 0.00000 0.00022 268 3PY -0.00062 -0.00171 0.00531 0.00000 0.00026 269 3PZ 0.00000 0.00000 0.00000 -0.01814 -0.00000 270 4XX 0.00012 -0.00008 0.00001 -0.00000 -0.00000 271 4YY 0.00030 -0.00021 0.00002 0.00000 -0.00001 272 4ZZ 0.00012 -0.00004 -0.00005 0.00000 -0.00001 273 4XY 0.00036 -0.00021 -0.00010 0.00000 -0.00002 274 4XZ -0.00000 0.00000 0.00000 -0.00001 0.00000 275 4YZ -0.00000 0.00000 0.00000 -0.00034 0.00000 276 28 C 1S -0.00468 0.00317 -0.00016 0.00000 0.00010 277 2S 0.00779 -0.00559 0.00088 -0.00000 -0.00014 278 2PX 0.01705 -0.01277 0.00280 -0.00000 -0.00025 279 2PY 0.01237 -0.01013 0.00135 0.00000 -0.00027 280 2PZ -0.00000 0.00000 0.00000 -0.00576 0.00000 281 3S 0.02041 -0.00676 -0.01555 0.00000 -0.00145 282 3PX 0.00621 -0.00345 -0.00290 0.00000 -0.00028 283 3PY 0.00855 -0.00340 -0.00719 0.00000 -0.00070 284 3PZ -0.00000 0.00000 0.00000 -0.00288 0.00000 285 4XX -0.00120 0.00078 0.00006 -0.00000 0.00004 286 4YY 0.00098 -0.00054 -0.00023 -0.00000 -0.00004 287 4ZZ -0.00038 0.00021 0.00010 -0.00000 0.00001 288 4XY -0.00032 0.00012 0.00014 -0.00000 0.00002 289 4XZ 0.00000 -0.00000 -0.00000 0.00132 -0.00000 290 4YZ -0.00000 0.00000 -0.00000 0.00083 0.00000 291 29 C 1S 0.00475 -0.00183 -0.00227 0.00000 -0.00022 292 2S -0.00961 0.00400 0.00388 -0.00000 0.00045 293 2PX -0.03064 0.01682 0.00614 -0.00000 0.00133 294 2PY -0.01679 0.01451 -0.00408 -0.00000 -0.00004 295 2PZ 0.00000 -0.00000 -0.00000 0.02161 0.00000 296 3S -0.02231 0.00785 0.01400 -0.00000 0.00142 297 3PX -0.01104 0.00452 0.00174 -0.00000 0.00053 298 3PY 0.00299 0.00604 -0.01803 0.00000 -0.00112 299 3PZ -0.00000 -0.00000 0.00000 0.01265 0.00000 300 4XX -0.00175 0.00083 0.00044 -0.00000 0.00008 301 4YY 0.00076 -0.00050 0.00003 -0.00000 -0.00002 302 4ZZ 0.00041 -0.00023 0.00000 -0.00000 -0.00001 303 4XY 0.00108 -0.00066 -0.00005 0.00000 -0.00005 304 4XZ -0.00000 0.00000 0.00000 -0.00048 0.00000 305 4YZ -0.00000 0.00000 -0.00000 0.00095 0.00000 306 30 H 1S -0.01543 0.01045 -0.00198 0.00000 0.00041 307 2S -0.00872 0.00968 -0.00534 0.00000 0.00019 308 31 H 1S 0.00376 -0.00168 -0.00048 0.00000 -0.00012 309 2S 0.00291 -0.00091 -0.00180 0.00000 -0.00023 310 32 H 1S 0.00217 -0.00109 -0.00006 0.00000 -0.00009 311 2S 0.00337 -0.00236 0.00078 -0.00000 -0.00010 312 33 H 1S 0.00019 0.00001 0.00043 -0.00000 0.00006 313 2S 0.00015 0.00005 -0.00085 0.00000 0.00008 314 34 H 1S 0.00069 -0.00003 0.00068 -0.00000 -0.00002 315 2S 0.00146 0.00012 0.00302 -0.00000 -0.00012 71 72 73 74 75 71 4YY 0.00129 72 4ZZ 0.00035 0.00089 73 4XY -0.00000 -0.00000 0.00120 74 4XZ -0.00000 0.00000 -0.00000 0.00035 75 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00070 76 6 C 1S -0.00438 0.00192 -0.00525 0.00000 0.00000 77 2S 0.00699 -0.00439 0.01063 -0.00000 -0.00000 78 2PX 0.00857 -0.00259 -0.00015 -0.00000 -0.00000 79 2PY -0.00545 -0.00550 0.01272 -0.00000 0.00000 80 2PZ 0.00000 0.00000 -0.00000 -0.00739 -0.01096 81 3S 0.00793 -0.00220 0.00820 -0.00000 -0.00000 82 3PX 0.00320 -0.00024 0.00141 -0.00000 -0.00000 83 3PY -0.00218 -0.00128 0.00356 -0.00000 0.00000 84 3PZ 0.00000 0.00000 -0.00000 -0.00446 -0.00750 85 4XX -0.00058 0.00004 0.00014 -0.00000 0.00000 86 4YY 0.00067 -0.00025 -0.00054 0.00000 -0.00000 87 4ZZ -0.00029 0.00029 -0.00038 0.00000 0.00000 88 4XY -0.00050 -0.00039 0.00044 -0.00000 0.00000 89 4XZ -0.00000 -0.00000 -0.00000 -0.00004 0.00042 90 4YZ -0.00000 -0.00000 0.00000 -0.00034 0.00003 91 7 C 1S 0.00112 0.00015 -0.00127 0.00000 -0.00000 92 2S -0.00228 0.00004 0.00252 -0.00000 0.00000 93 2PX -0.00394 -0.00043 0.00629 -0.00000 0.00000 94 2PY 0.00012 -0.00011 0.00202 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 -0.00310 -0.01140 96 3S -0.00305 -0.00017 0.00406 -0.00000 0.00000 97 3PX -0.00172 0.00006 0.00155 -0.00000 0.00000 98 3PY 0.00053 -0.00041 0.00139 -0.00000 0.00000 99 3PZ 0.00000 0.00000 -0.00000 -0.00167 -0.00818 100 4XX 0.00017 -0.00011 0.00038 -0.00000 -0.00000 101 4YY 0.00011 0.00002 -0.00029 0.00000 -0.00000 102 4ZZ 0.00005 0.00004 -0.00014 0.00000 -0.00000 103 4XY -0.00024 -0.00015 0.00036 -0.00000 0.00000 104 4XZ 0.00000 0.00000 -0.00000 -0.00031 -0.00039 105 4YZ -0.00000 -0.00000 0.00000 -0.00004 0.00009 106 8 H 1S -0.00017 -0.00004 -0.00096 0.00000 0.00000 107 2S 0.00072 -0.00037 -0.00085 0.00000 -0.00000 108 9 H 1S 0.00859 0.00062 -0.00396 0.00000 -0.00000 109 2S 0.00551 0.00102 -0.00615 0.00000 -0.00000 110 10 H 1S -0.01044 -0.00601 -0.00000 0.00000 0.00000 111 2S -0.00810 -0.00181 0.00000 0.00000 0.00000 112 11 H 1S 0.00859 0.00062 0.00396 -0.00000 -0.00000 113 2S 0.00551 0.00102 0.00615 -0.00000 -0.00000 114 12 H 1S -0.00017 -0.00004 0.00096 -0.00000 0.00000 115 2S 0.00072 -0.00037 0.00085 -0.00000 -0.00000 116 13 C 1S -0.00004 -0.00003 0.00008 -0.00000 0.00000 117 2S 0.00011 0.00002 -0.00018 0.00000 -0.00000 118 2PX 0.00007 0.00011 -0.00011 0.00000 -0.00000 119 2PY -0.00028 0.00011 0.00029 -0.00000 0.00000 120 2PZ 0.00000 0.00000 -0.00000 -0.00015 -0.00034 121 3S 0.00005 0.00006 -0.00023 0.00000 -0.00000 122 3PX 0.00027 0.00011 -0.00000 0.00000 -0.00000 123 3PY 0.00005 -0.00009 0.00011 0.00000 0.00000 124 3PZ 0.00000 0.00000 0.00000 -0.00018 -0.00017 125 4XX -0.00004 0.00000 0.00001 -0.00000 0.00000 126 4YY 0.00003 -0.00000 0.00000 0.00000 -0.00000 127 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 128 4XY 0.00001 0.00002 -0.00001 -0.00000 -0.00000 129 4XZ -0.00000 -0.00000 -0.00000 0.00004 0.00002 130 4YZ -0.00000 0.00000 0.00000 -0.00005 -0.00002 131 14 C 1S 0.00008 -0.00006 0.00007 -0.00000 -0.00000 132 2S -0.00012 0.00008 -0.00020 0.00000 0.00000 133 2PX -0.00049 0.00030 -0.00054 0.00000 0.00000 134 2PY 0.00014 -0.00025 -0.00001 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 -0.00039 -0.00031 136 3S -0.00045 0.00024 -0.00009 0.00000 0.00000 137 3PX -0.00011 0.00004 -0.00010 0.00000 0.00000 138 3PY -0.00007 -0.00001 -0.00003 0.00000 -0.00000 139 3PZ -0.00000 -0.00000 0.00000 -0.00029 0.00018 140 4XX -0.00003 0.00001 -0.00003 0.00000 0.00000 141 4YY 0.00001 -0.00001 0.00001 -0.00000 -0.00000 142 4ZZ 0.00001 -0.00000 0.00000 -0.00000 0.00000 143 4XY -0.00002 0.00001 -0.00002 0.00000 -0.00000 144 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00004 145 4YZ -0.00000 0.00000 -0.00000 0.00001 -0.00001 146 15 C 1S -0.00006 0.00005 -0.00003 0.00000 0.00000 147 2S 0.00010 -0.00009 0.00007 -0.00000 -0.00000 148 2PX 0.00022 -0.00020 0.00013 -0.00000 -0.00000 149 2PY -0.00018 0.00017 -0.00006 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00004 -0.00022 151 3S 0.00036 -0.00023 0.00018 -0.00000 -0.00000 152 3PX 0.00009 -0.00007 0.00004 -0.00000 -0.00000 153 3PY -0.00020 0.00012 -0.00007 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00002 -0.00035 155 4XX -0.00002 0.00001 -0.00002 0.00000 0.00000 156 4YY 0.00002 -0.00001 0.00002 -0.00000 -0.00000 157 4ZZ -0.00001 0.00001 -0.00000 -0.00000 -0.00000 158 4XY 0.00001 -0.00000 0.00001 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 -0.00002 -0.00001 160 4YZ -0.00000 -0.00000 -0.00000 0.00002 0.00002 161 16 C 1S 0.00004 -0.00004 0.00001 -0.00000 -0.00000 162 2S -0.00006 0.00005 -0.00005 0.00000 0.00000 163 2PX -0.00017 0.00014 -0.00014 0.00000 0.00000 164 2PY -0.00003 0.00006 0.00005 -0.00000 -0.00000 165 2PZ -0.00000 -0.00000 -0.00000 0.00036 0.00014 166 3S -0.00010 0.00012 -0.00009 0.00000 0.00000 167 3PX -0.00010 0.00006 -0.00007 0.00000 0.00000 168 3PY -0.00000 -0.00001 0.00001 -0.00000 -0.00000 169 3PZ -0.00000 -0.00000 -0.00000 0.00030 0.00016 170 4XX -0.00000 -0.00000 0.00001 -0.00000 0.00000 171 4YY 0.00001 -0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 173 4XY -0.00001 0.00000 -0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00001 175 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00001 176 17 C 1S -0.00002 0.00001 0.00003 -0.00000 0.00000 177 2S 0.00005 -0.00001 -0.00007 0.00000 -0.00000 178 2PX 0.00004 -0.00000 -0.00011 0.00000 -0.00000 179 2PY -0.00002 -0.00008 0.00009 -0.00000 -0.00000 180 2PZ -0.00000 -0.00000 -0.00000 0.00007 0.00024 181 3S 0.00004 -0.00003 -0.00014 0.00000 -0.00000 182 3PX -0.00002 -0.00003 -0.00007 0.00000 0.00000 183 3PY -0.00004 -0.00005 0.00007 -0.00000 -0.00000 184 3PZ -0.00000 -0.00000 -0.00000 0.00008 0.00020 185 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 187 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 188 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 189 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 190 4YZ -0.00000 -0.00000 -0.00000 0.00003 0.00001 191 18 C 1S 0.00005 -0.00000 -0.00000 -0.00000 -0.00000 192 2S -0.00011 -0.00001 0.00000 0.00000 0.00000 193 2PX -0.00014 -0.00007 0.00001 0.00000 0.00000 194 2PY 0.00003 0.00002 -0.00012 0.00000 -0.00000 195 2PZ 0.00000 0.00000 0.00000 -0.00039 -0.00007 196 3S -0.00004 0.00005 0.00011 -0.00000 0.00000 197 3PX 0.00000 0.00002 0.00004 -0.00000 -0.00000 198 3PY 0.00004 0.00002 0.00004 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 -0.00035 -0.00014 200 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 201 4YY 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 202 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 203 4XY -0.00001 0.00000 0.00002 -0.00000 0.00000 204 4XZ 0.00000 0.00000 -0.00000 -0.00001 -0.00002 205 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00001 206 19 H 1S -0.00002 0.00001 0.00007 -0.00000 0.00000 207 2S 0.00002 0.00002 0.00015 -0.00000 -0.00000 208 20 H 1S -0.00004 0.00000 0.00003 -0.00000 0.00000 209 2S -0.00008 -0.00001 0.00003 -0.00000 0.00000 210 21 H 1S 0.00004 -0.00000 0.00005 -0.00000 -0.00000 211 2S 0.00007 -0.00002 0.00005 -0.00000 -0.00000 212 22 H 1S 0.00005 -0.00003 0.00007 -0.00000 -0.00000 213 2S 0.00008 -0.00003 0.00009 -0.00000 -0.00000 214 23 H 1S -0.00031 0.00017 -0.00026 0.00000 0.00000 215 2S -0.00027 0.00014 -0.00060 0.00000 0.00000 216 24 C 1S -0.00004 -0.00003 -0.00008 0.00000 0.00000 217 2S 0.00011 0.00002 0.00018 -0.00000 -0.00000 218 2PX 0.00007 0.00011 0.00011 -0.00000 -0.00000 219 2PY 0.00028 -0.00011 0.00029 -0.00000 -0.00000 220 2PZ -0.00000 -0.00000 -0.00000 -0.00015 0.00034 221 3S 0.00005 0.00006 0.00023 -0.00000 -0.00000 222 3PX 0.00027 0.00011 0.00000 0.00000 -0.00000 223 3PY -0.00005 0.00009 0.00011 -0.00000 -0.00000 224 3PZ -0.00000 -0.00000 0.00000 -0.00018 0.00017 225 4XX -0.00004 0.00000 -0.00001 0.00000 0.00000 226 4YY 0.00003 -0.00000 -0.00000 -0.00000 -0.00000 227 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 228 4XY -0.00001 -0.00002 -0.00001 -0.00000 0.00000 229 4XZ 0.00000 0.00000 -0.00000 0.00004 -0.00002 230 4YZ -0.00000 0.00000 -0.00000 0.00005 -0.00002 231 25 C 1S 0.00005 -0.00000 0.00000 -0.00000 -0.00000 232 2S -0.00011 -0.00001 -0.00000 0.00000 0.00000 233 2PX -0.00014 -0.00007 -0.00001 0.00000 0.00000 234 2PY -0.00003 -0.00002 -0.00012 0.00000 -0.00000 235 2PZ -0.00000 -0.00000 0.00000 -0.00039 0.00007 236 3S -0.00004 0.00005 -0.00011 0.00000 0.00000 237 3PX 0.00000 0.00002 -0.00004 0.00000 -0.00000 238 3PY -0.00004 -0.00002 0.00004 0.00000 -0.00000 239 3PZ -0.00000 -0.00000 0.00000 -0.00035 0.00014 240 4XX 0.00000 0.00000 -0.00000 0.00000 -0.00000 241 4YY 0.00001 -0.00000 0.00000 -0.00000 -0.00000 242 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 243 4XY 0.00001 -0.00000 0.00002 -0.00000 -0.00000 244 4XZ -0.00000 -0.00000 -0.00000 -0.00001 0.00002 245 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00001 246 26 C 1S -0.00002 0.00001 -0.00003 0.00000 0.00000 247 2S 0.00005 -0.00001 0.00007 -0.00000 -0.00000 248 2PX 0.00004 -0.00000 0.00011 -0.00000 -0.00000 249 2PY 0.00002 0.00008 0.00009 -0.00000 0.00000 250 2PZ 0.00000 0.00000 -0.00000 0.00007 -0.00024 251 3S 0.00004 -0.00003 0.00014 -0.00000 -0.00000 252 3PX -0.00002 -0.00003 0.00007 -0.00000 0.00000 253 3PY 0.00004 0.00005 0.00007 -0.00000 0.00000 254 3PZ 0.00000 0.00000 -0.00000 0.00008 -0.00020 255 4XX -0.00001 0.00000 -0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 257 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 258 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 260 4YZ -0.00000 -0.00000 0.00000 -0.00003 0.00001 261 27 C 1S 0.00004 -0.00004 -0.00001 0.00000 -0.00000 262 2S -0.00006 0.00005 0.00005 -0.00000 0.00000 263 2PX -0.00017 0.00014 0.00014 -0.00000 0.00000 264 2PY 0.00003 -0.00006 0.00005 -0.00000 0.00000 265 2PZ 0.00000 0.00000 -0.00000 0.00036 -0.00014 266 3S -0.00010 0.00012 0.00009 -0.00000 0.00000 267 3PX -0.00010 0.00006 0.00007 -0.00000 0.00000 268 3PY 0.00000 0.00001 0.00001 -0.00000 0.00000 269 3PZ 0.00000 0.00000 -0.00000 0.00030 -0.00016 270 4XX -0.00000 -0.00000 -0.00001 0.00000 0.00000 271 4YY 0.00001 -0.00000 -0.00000 -0.00000 0.00000 272 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 273 4XY 0.00001 -0.00000 -0.00000 0.00000 -0.00000 274 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00001 275 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00001 276 28 C 1S -0.00006 0.00005 0.00003 -0.00000 0.00000 277 2S 0.00010 -0.00009 -0.00007 0.00000 -0.00000 278 2PX 0.00022 -0.00020 -0.00013 0.00000 -0.00000 279 2PY 0.00018 -0.00017 -0.00006 0.00000 -0.00000 280 2PZ -0.00000 -0.00000 0.00000 0.00004 0.00022 281 3S 0.00036 -0.00023 -0.00018 0.00000 -0.00000 282 3PX 0.00009 -0.00007 -0.00004 0.00000 -0.00000 283 3PY 0.00020 -0.00012 -0.00007 0.00000 -0.00000 284 3PZ -0.00000 -0.00000 0.00000 0.00002 0.00035 285 4XX -0.00002 0.00001 0.00002 -0.00000 0.00000 286 4YY 0.00002 -0.00001 -0.00002 0.00000 -0.00000 287 4ZZ -0.00001 0.00001 0.00000 0.00000 -0.00000 288 4XY -0.00001 0.00000 0.00001 0.00000 -0.00000 289 4XZ -0.00000 -0.00000 0.00000 -0.00002 0.00001 290 4YZ -0.00000 -0.00000 0.00000 -0.00002 0.00002 291 29 C 1S 0.00008 -0.00006 -0.00007 0.00000 -0.00000 292 2S -0.00012 0.00008 0.00020 -0.00000 0.00000 293 2PX -0.00049 0.00030 0.00054 -0.00000 0.00000 294 2PY -0.00014 0.00025 -0.00001 0.00000 -0.00000 295 2PZ -0.00000 -0.00000 0.00000 -0.00039 0.00031 296 3S -0.00045 0.00024 0.00009 0.00000 0.00000 297 3PX -0.00011 0.00004 0.00010 -0.00000 0.00000 298 3PY 0.00007 0.00001 -0.00003 0.00000 0.00000 299 3PZ 0.00000 0.00000 0.00000 -0.00029 -0.00018 300 4XX -0.00003 0.00001 0.00003 -0.00000 0.00000 301 4YY 0.00001 -0.00001 -0.00001 0.00000 -0.00000 302 4ZZ 0.00001 -0.00000 -0.00000 0.00000 -0.00000 303 4XY 0.00002 -0.00001 -0.00002 0.00000 0.00000 304 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 305 4YZ -0.00000 0.00000 0.00000 -0.00001 -0.00001 306 30 H 1S -0.00031 0.00017 0.00026 -0.00000 0.00000 307 2S -0.00027 0.00014 0.00060 -0.00000 0.00000 308 31 H 1S 0.00005 -0.00003 -0.00007 0.00000 -0.00000 309 2S 0.00008 -0.00003 -0.00009 0.00000 -0.00000 310 32 H 1S 0.00004 -0.00000 -0.00005 0.00000 -0.00000 311 2S 0.00007 -0.00002 -0.00005 0.00000 -0.00000 312 33 H 1S -0.00004 0.00000 -0.00003 0.00000 0.00000 313 2S -0.00008 -0.00001 -0.00003 0.00000 0.00000 314 34 H 1S -0.00002 0.00001 -0.00007 0.00000 0.00000 315 2S 0.00002 0.00002 -0.00015 0.00000 -0.00000 76 77 78 79 80 76 6 C 1S 2.05309 77 2S -0.06400 0.33160 78 2PX -0.00166 0.00204 0.42053 79 2PY 0.00259 0.00089 -0.00256 0.43266 80 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.32817 81 3S -0.16855 0.25548 0.00824 -0.01828 0.00000 82 3PX -0.00145 0.01506 0.12727 -0.00477 0.00000 83 3PY 0.00421 -0.02654 -0.00941 0.13695 -0.00000 84 3PZ -0.00000 0.00000 0.00000 -0.00000 0.21267 85 4XX -0.01741 -0.00269 -0.01404 -0.00043 -0.00000 86 4YY -0.01991 0.00170 0.01764 -0.00709 0.00000 87 4ZZ -0.01136 -0.01600 0.00007 0.00070 -0.00000 88 4XY 0.00243 -0.00420 0.00274 0.01891 -0.00000 89 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00534 90 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00693 91 7 C 1S 0.01717 -0.03496 0.08082 -0.00598 0.00000 92 2S -0.03513 0.06184 -0.16987 0.00789 -0.00000 93 2PX -0.08054 0.16366 -0.32062 0.00454 -0.00000 94 2PY -0.00871 0.01926 -0.02748 0.01577 -0.00000 95 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.23430 96 3S 0.01183 0.01567 -0.09938 0.06684 -0.00000 97 3PX -0.01341 0.04275 -0.09613 -0.02326 0.00000 98 3PY -0.00103 0.01792 -0.00059 0.03220 -0.00000 99 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.15708 100 4XX -0.00671 0.01192 -0.00453 0.00029 -0.00000 101 4YY 0.00304 -0.00729 0.01119 -0.00016 0.00000 102 4ZZ 0.00186 -0.00429 0.00608 -0.00103 0.00000 103 4XY 0.00024 -0.00022 -0.00192 0.01401 -0.00000 104 4XZ -0.00000 0.00000 0.00000 -0.00000 0.01305 105 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00104 106 8 H 1S 0.01309 -0.03015 0.03713 0.02037 -0.00000 107 2S 0.01383 -0.02502 0.05828 0.03353 -0.00000 108 9 H 1S -0.06196 0.11878 0.12165 -0.24066 0.00000 109 2S -0.01383 0.02689 0.09365 -0.19289 0.00000 110 10 H 1S 0.01273 -0.02685 -0.04070 -0.02612 0.00000 111 2S 0.01387 -0.02378 -0.07624 -0.04207 0.00000 112 11 H 1S -0.00840 0.02044 0.01491 0.03170 -0.00000 113 2S -0.01208 0.02644 0.02193 0.05964 -0.00000 114 12 H 1S -0.00208 0.00453 -0.00759 0.00347 -0.00000 115 2S -0.00439 0.01094 -0.00458 0.01724 -0.00000 116 13 C 1S -0.00075 0.00161 -0.00361 0.00078 -0.00000 117 2S 0.00143 -0.00313 0.00608 -0.00274 0.00000 118 2PX 0.00192 -0.00488 0.00794 -0.00104 0.00000 119 2PY -0.00280 0.00523 -0.01244 0.00237 -0.00000 120 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.01235 121 3S 0.00688 -0.01323 0.04051 0.01332 -0.00000 122 3PX 0.00531 -0.00925 0.03989 0.00846 -0.00000 123 3PY -0.00601 0.01196 -0.02294 -0.00872 0.00000 124 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00941 125 4XX -0.00018 0.00046 -0.00108 0.00043 -0.00000 126 4YY 0.00018 -0.00037 0.00115 0.00014 -0.00000 127 4ZZ -0.00003 0.00008 -0.00030 -0.00012 -0.00000 128 4XY -0.00004 -0.00007 0.00027 -0.00039 0.00000 129 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00117 130 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00164 131 14 C 1S -0.00025 0.00063 -0.00084 0.00037 -0.00000 132 2S 0.00057 -0.00149 0.00169 -0.00138 0.00000 133 2PX 0.00106 -0.00277 0.00229 -0.00179 0.00000 134 2PY 0.00002 0.00111 -0.00127 0.00007 -0.00000 135 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.01558 136 3S 0.00041 -0.00193 0.00820 0.00782 -0.00000 137 3PX -0.00125 0.00285 -0.00667 -0.00163 0.00000 138 3PY -0.00043 0.00119 0.01719 0.00694 -0.00000 139 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00450 140 4XX -0.00000 -0.00002 0.00005 0.00009 -0.00000 141 4YY 0.00002 -0.00006 -0.00000 -0.00007 0.00000 142 4ZZ -0.00001 0.00003 -0.00002 -0.00005 0.00000 143 4XY 0.00005 -0.00008 -0.00029 -0.00021 0.00000 144 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00077 145 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00019 146 15 C 1S 0.00002 -0.00025 0.00009 -0.00011 0.00000 147 2S -0.00011 0.00046 0.00058 0.00057 -0.00000 148 2PX 0.00005 0.00078 0.00047 0.00035 -0.00000 149 2PY 0.00001 -0.00037 -0.00013 -0.00010 -0.00000 150 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00145 151 3S -0.00021 0.00144 -0.01615 -0.00694 0.00000 152 3PX 0.00003 0.00003 -0.00403 -0.00106 0.00000 153 3PY 0.00015 -0.00083 0.00748 0.00280 -0.00000 154 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00455 155 4XX 0.00006 -0.00014 -0.00000 -0.00016 0.00000 156 4YY -0.00004 0.00011 -0.00018 -0.00000 0.00000 157 4ZZ -0.00001 -0.00002 0.00012 0.00002 0.00000 158 4XY -0.00004 0.00008 0.00006 0.00011 -0.00000 159 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00083 160 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00073 161 16 C 1S -0.00005 0.00016 -0.00022 0.00007 -0.00000 162 2S 0.00015 -0.00041 0.00001 -0.00043 0.00000 163 2PX 0.00009 -0.00088 -0.00002 -0.00039 0.00000 164 2PY -0.00008 0.00004 -0.00020 0.00033 0.00000 165 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.01305 166 3S 0.00038 -0.00120 0.00637 0.00117 -0.00000 167 3PX 0.00010 -0.00054 0.00032 0.00075 -0.00000 168 3PY -0.00014 0.00036 -0.00626 -0.00180 0.00000 169 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.01122 170 4XX -0.00004 0.00008 -0.00010 0.00007 -0.00000 171 4YY 0.00003 -0.00005 0.00017 -0.00003 -0.00000 172 4ZZ 0.00001 -0.00001 -0.00007 -0.00004 -0.00000 173 4XY 0.00000 -0.00000 -0.00000 -0.00002 -0.00000 174 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00017 175 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00018 176 17 C 1S -0.00016 0.00044 -0.00069 0.00017 -0.00000 177 2S 0.00044 -0.00112 0.00239 -0.00033 0.00000 178 2PX 0.00049 -0.00149 0.00227 -0.00053 0.00000 179 2PY -0.00052 0.00191 -0.00269 0.00041 0.00000 180 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00652 181 3S -0.00073 0.00093 -0.00705 -0.00443 0.00000 182 3PX -0.00048 0.00063 -0.00585 -0.00175 0.00000 183 3PY -0.00007 0.00061 -0.00368 0.00113 0.00000 184 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00584 185 4XX -0.00007 0.00015 -0.00039 0.00000 -0.00000 186 4YY 0.00001 -0.00003 0.00000 -0.00002 0.00000 187 4ZZ 0.00001 -0.00000 0.00008 -0.00000 0.00000 188 4XY 0.00005 -0.00007 0.00021 -0.00002 -0.00000 189 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00005 190 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00083 191 18 C 1S 0.00036 -0.00069 0.00170 -0.00028 0.00000 192 2S -0.00081 0.00158 -0.00445 0.00059 -0.00000 193 2PX -0.00129 0.00350 -0.00654 0.00090 -0.00000 194 2PY 0.00044 -0.00168 0.00186 -0.00028 -0.00000 195 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.01215 196 3S 0.00082 -0.00039 0.01146 0.00476 -0.00000 197 3PX 0.00052 -0.00032 0.00861 0.00292 -0.00000 198 3PY 0.00222 -0.00412 0.00976 0.00459 -0.00000 199 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.01178 200 4XX 0.00001 -0.00001 0.00022 -0.00008 0.00000 201 4YY 0.00007 -0.00015 0.00037 0.00002 0.00000 202 4ZZ 0.00002 -0.00003 -0.00003 -0.00002 0.00000 203 4XY -0.00011 0.00023 -0.00067 0.00021 -0.00000 204 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00072 205 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00019 206 19 H 1S -0.00015 0.00036 -0.00079 0.00038 -0.00000 207 2S 0.00134 -0.00234 0.00763 0.00470 -0.00000 208 20 H 1S -0.00027 0.00073 -0.00148 0.00026 -0.00000 209 2S -0.00063 0.00143 -0.00450 0.00016 -0.00000 210 21 H 1S 0.00003 0.00002 0.00047 0.00022 -0.00000 211 2S 0.00004 -0.00005 0.00212 0.00088 -0.00000 212 22 H 1S -0.00009 0.00040 -0.00005 0.00023 -0.00000 213 2S -0.00031 0.00084 -0.00068 0.00037 -0.00000 214 23 H 1S 0.00023 -0.00091 -0.00000 -0.00091 0.00000 215 2S 0.00278 -0.00629 -0.00308 -0.01043 0.00000 216 24 C 1S 0.00022 -0.00029 0.00077 -0.00019 0.00000 217 2S 0.00013 -0.00031 0.00160 0.00173 -0.00000 218 2PX -0.00036 -0.00023 -0.00092 0.00092 -0.00000 219 2PY 0.00008 0.00095 0.00147 0.00139 -0.00000 220 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00029 221 3S -0.00715 0.01190 -0.04085 -0.01185 0.00000 222 3PX -0.00902 0.01629 -0.04041 -0.02670 0.00000 223 3PY -0.00355 0.00264 -0.01393 -0.00646 0.00000 224 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00316 225 4XX -0.00026 0.00044 -0.00102 -0.00004 -0.00000 226 4YY 0.00010 -0.00015 0.00018 -0.00016 0.00000 227 4ZZ 0.00010 -0.00017 0.00052 0.00021 0.00000 228 4XY -0.00000 0.00007 -0.00023 0.00013 0.00000 229 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00070 230 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00094 231 25 C 1S 0.00020 -0.00042 0.00100 0.00026 -0.00000 232 2S -0.00029 0.00051 -0.00145 0.00025 -0.00000 233 2PX -0.00061 0.00184 -0.00320 -0.00048 0.00000 234 2PY -0.00006 0.00059 -0.00052 -0.00066 -0.00000 235 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00938 236 3S -0.00580 0.01075 -0.02438 -0.01729 0.00000 237 3PX -0.00402 0.00823 -0.01798 -0.01239 0.00000 238 3PY 0.00096 -0.00062 0.00420 0.00406 -0.00000 239 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00720 240 4XX -0.00002 0.00005 -0.00009 -0.00020 0.00000 241 4YY 0.00002 -0.00004 0.00012 -0.00004 0.00000 242 4ZZ 0.00001 -0.00005 0.00008 0.00011 -0.00000 243 4XY -0.00004 0.00012 -0.00005 -0.00007 0.00000 244 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00002 245 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00005 246 26 C 1S 0.00002 -0.00011 -0.00001 -0.00005 0.00000 247 2S -0.00025 0.00046 -0.00071 -0.00049 0.00000 248 2PX -0.00015 0.00020 -0.00005 -0.00005 0.00000 249 2PY -0.00002 -0.00079 0.00043 0.00043 -0.00000 250 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00145 251 3S 0.00250 -0.00375 0.01237 0.00686 -0.00000 252 3PX 0.00201 -0.00356 0.00889 0.00616 -0.00000 253 3PY -0.00123 0.00238 -0.00573 -0.00287 0.00000 254 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00087 255 4XX -0.00000 -0.00001 -0.00001 0.00011 -0.00000 256 4YY 0.00004 -0.00007 0.00018 0.00005 -0.00000 257 4ZZ -0.00003 0.00004 -0.00010 -0.00008 -0.00000 258 4XY 0.00000 -0.00000 -0.00005 0.00004 -0.00000 259 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00005 260 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00063 261 27 C 1S 0.00036 -0.00039 0.00136 0.00034 -0.00000 262 2S -0.00050 0.00051 -0.00161 -0.00014 0.00000 263 2PX -0.00138 0.00128 -0.00506 -0.00048 0.00000 264 2PY -0.00000 0.00050 0.00026 0.00019 0.00000 265 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00819 266 3S -0.00468 0.00779 -0.01924 -0.00859 0.00000 267 3PX -0.00145 0.00203 -0.00535 -0.00148 0.00000 268 3PY -0.00282 0.00528 -0.01441 -0.00607 0.00000 269 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00576 270 4XX 0.00001 -0.00001 -0.00002 0.00001 -0.00000 271 4YY 0.00003 -0.00003 0.00012 -0.00003 -0.00000 272 4ZZ 0.00005 -0.00009 0.00025 0.00009 -0.00000 273 4XY 0.00009 -0.00015 0.00037 0.00013 0.00000 274 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00021 275 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00008 276 28 C 1S -0.00059 0.00061 -0.00224 -0.00045 0.00000 277 2S 0.00061 -0.00054 0.00165 0.00008 0.00000 278 2PX 0.00150 -0.00089 0.00522 0.00007 0.00000 279 2PY 0.00171 -0.00139 0.00644 0.00146 0.00000 280 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00583 281 3S 0.01170 -0.02013 0.05686 0.01958 -0.00000 282 3PX 0.00187 -0.00355 0.01170 0.00364 -0.00000 283 3PY 0.00554 -0.00887 0.02751 0.00920 -0.00000 284 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00672 285 4XX -0.00021 0.00029 -0.00072 -0.00012 0.00000 286 4YY 0.00027 -0.00039 0.00110 0.00025 -0.00000 287 4ZZ -0.00013 0.00017 -0.00056 -0.00014 -0.00000 288 4XY -0.00006 0.00017 -0.00013 -0.00009 -0.00000 289 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00037 290 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00009 291 29 C 1S 0.00122 -0.00263 0.00478 0.00171 -0.00000 292 2S -0.00252 0.00514 -0.00892 -0.00339 0.00000 293 2PX -0.00707 0.01193 -0.02626 -0.00616 0.00000 294 2PY -0.00080 -0.00116 -0.00238 -0.00045 -0.00000 295 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00434 296 3S -0.00900 0.01613 -0.04591 -0.01623 0.00000 297 3PX -0.00012 0.00339 -0.00237 -0.00041 0.00000 298 3PY 0.00913 -0.01884 0.04988 0.01867 -0.00000 299 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00922 300 4XX -0.00051 0.00088 -0.00186 -0.00046 0.00000 301 4YY 0.00007 -0.00015 0.00034 0.00014 -0.00000 302 4ZZ 0.00003 -0.00010 0.00030 0.00002 -0.00000 303 4XY 0.00024 -0.00044 0.00066 0.00020 -0.00000 304 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00049 305 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00034 306 30 H 1S -0.00185 0.00205 -0.00724 0.00195 -0.00000 307 2S -0.00056 -0.00258 0.00943 0.00737 -0.00000 308 31 H 1S 0.00054 -0.00107 0.00205 0.00034 -0.00000 309 2S 0.00122 -0.00208 0.00508 0.00146 -0.00000 310 32 H 1S 0.00033 -0.00058 0.00120 0.00009 -0.00000 311 2S -0.00001 0.00019 -0.00106 -0.00083 0.00000 312 33 H 1S -0.00002 0.00003 -0.00033 0.00016 -0.00000 313 2S 0.00047 -0.00088 0.00165 0.00202 -0.00000 314 34 H 1S 0.00012 -0.00026 0.00025 -0.00007 0.00000 315 2S -0.00103 0.00168 -0.00598 -0.00510 0.00000 81 82 83 84 85 81 3S 0.24394 82 3PX 0.00284 0.04945 83 3PY -0.02020 -0.00471 0.04873 84 3PZ 0.00000 0.00000 -0.00000 0.13913 85 4XX -0.00300 -0.00371 0.00034 -0.00000 0.00112 86 4YY 0.00378 0.00422 -0.00280 -0.00000 -0.00074 87 4ZZ -0.01126 -0.00042 0.00159 -0.00000 0.00023 88 4XY -0.00570 0.00002 0.00579 -0.00000 0.00017 89 4XZ 0.00000 -0.00000 -0.00000 -0.00338 -0.00000 90 4YZ 0.00000 -0.00000 -0.00000 0.00427 0.00000 91 7 C 1S 0.00747 0.01300 0.00501 -0.00000 -0.00691 92 2S 0.01774 -0.04088 0.00145 -0.00000 0.01235 93 2PX 0.13376 -0.09186 -0.00672 0.00000 0.00672 94 2PY 0.03554 0.01138 0.01894 -0.00000 -0.00137 95 2PZ -0.00000 -0.00000 -0.00000 0.14787 0.00000 96 3S -0.03733 -0.00925 0.02050 -0.00000 0.01056 97 3PX 0.01627 -0.01605 -0.00976 0.00000 0.00203 98 3PY 0.02406 0.00200 0.01084 -0.00000 -0.00149 99 3PZ -0.00000 -0.00000 -0.00000 0.09987 0.00000 100 4XX 0.01100 -0.00121 -0.00054 0.00000 -0.00012 101 4YY -0.00897 0.00361 -0.00042 0.00000 -0.00003 102 4ZZ -0.00184 0.00145 -0.00002 0.00000 -0.00049 103 4XY -0.00197 -0.00140 0.00377 -0.00000 0.00013 104 4XZ 0.00000 0.00000 -0.00000 0.00873 -0.00000 105 4YZ 0.00000 -0.00000 0.00000 -0.00116 0.00000 106 8 H 1S -0.04522 -0.00049 -0.00083 0.00000 0.00359 107 2S -0.03340 0.00566 0.00214 -0.00000 -0.00031 108 9 H 1S 0.11028 0.04281 -0.08730 0.00000 -0.00526 109 2S 0.03753 0.02828 -0.06339 0.00000 -0.00430 110 10 H 1S -0.05397 -0.00862 -0.00630 0.00000 0.00814 111 2S -0.04446 -0.01669 -0.01218 0.00000 0.00732 112 11 H 1S 0.03285 0.02202 0.01549 -0.00000 0.00047 113 2S 0.03145 0.02229 0.02262 -0.00000 0.00040 114 12 H 1S 0.02612 -0.00283 0.00829 -0.00000 -0.00034 115 2S 0.03122 -0.00169 0.01420 -0.00000 -0.00095 116 13 C 1S 0.00287 -0.00244 0.00044 -0.00000 -0.00002 117 2S -0.00614 0.00452 -0.00216 0.00000 0.00007 118 2PX 0.00609 -0.00107 0.00020 -0.00000 0.00041 119 2PY 0.02333 -0.00994 0.01117 -0.00000 -0.00000 120 2PZ -0.00000 0.00000 -0.00000 0.01179 0.00000 121 3S -0.01045 0.01106 0.00072 -0.00000 0.00005 122 3PX -0.00768 0.01057 0.00002 0.00000 -0.00049 123 3PY 0.00133 -0.00400 -0.00412 -0.00000 -0.00009 124 3PZ -0.00000 0.00000 -0.00000 0.00913 0.00000 125 4XX 0.00087 -0.00056 0.00038 -0.00000 -0.00002 126 4YY -0.00072 0.00047 -0.00021 -0.00000 0.00001 127 4ZZ 0.00025 -0.00017 0.00007 -0.00000 -0.00000 128 4XY 0.00003 0.00028 0.00034 0.00000 0.00001 129 4XZ 0.00000 -0.00000 0.00000 -0.00090 -0.00000 130 4YZ 0.00000 -0.00000 -0.00000 0.00131 -0.00000 131 14 C 1S 0.00104 -0.00050 -0.00090 0.00000 -0.00009 132 2S -0.00184 0.00119 0.00200 -0.00000 0.00018 133 2PX -0.00297 0.00644 0.00813 -0.00000 0.00021 134 2PY -0.01806 0.00194 -0.01173 0.00000 -0.00017 135 2PZ 0.00000 -0.00000 0.00000 0.01345 0.00000 136 3S 0.00134 0.00140 0.00696 -0.00000 0.00047 137 3PX -0.00285 0.00175 0.00109 -0.00000 0.00017 138 3PY -0.01248 0.00631 -0.00546 0.00000 -0.00023 139 3PZ 0.00000 -0.00000 0.00000 0.00465 0.00000 140 4XX -0.00007 0.00032 0.00066 -0.00000 -0.00000 141 4YY -0.00022 -0.00018 -0.00056 0.00000 0.00001 142 4ZZ -0.00015 -0.00003 -0.00025 0.00000 -0.00001 143 4XY 0.00017 0.00002 0.00040 -0.00000 0.00001 144 4XZ -0.00000 0.00000 0.00000 -0.00061 -0.00000 145 4YZ 0.00000 0.00000 0.00000 -0.00023 -0.00000 146 15 C 1S 0.00250 0.00006 0.00236 -0.00000 0.00003 147 2S -0.00375 -0.00028 -0.00427 0.00000 -0.00006 148 2PX -0.01212 0.00026 -0.01115 0.00000 -0.00013 149 2PY 0.00728 0.00075 0.00577 -0.00000 0.00004 150 2PZ -0.00000 -0.00000 -0.00000 0.00087 -0.00000 151 3S -0.00015 -0.00456 -0.00554 0.00000 -0.00006 152 3PX -0.00169 -0.00129 -0.00281 0.00000 0.00004 153 3PY 0.00030 0.00182 0.00169 -0.00000 0.00001 154 3PZ -0.00000 -0.00000 -0.00000 0.00310 -0.00000 155 4XX 0.00006 0.00020 0.00044 -0.00000 0.00001 156 4YY -0.00003 -0.00017 -0.00033 0.00000 -0.00001 157 4ZZ 0.00014 0.00003 0.00014 0.00000 0.00000 158 4XY 0.00025 -0.00006 -0.00004 -0.00000 -0.00001 159 4XZ -0.00000 0.00000 -0.00000 0.00070 0.00000 160 4YZ -0.00000 0.00000 0.00000 -0.00060 0.00000 161 16 C 1S -0.00047 -0.00050 -0.00102 0.00000 0.00000 162 2S 0.00048 0.00092 0.00173 -0.00000 0.00001 163 2PX 0.00862 -0.00008 0.00834 -0.00000 0.00014 164 2PY 0.00378 -0.00078 0.00186 0.00000 0.00003 165 2PZ -0.00000 0.00000 0.00000 -0.01120 -0.00000 166 3S 0.00002 0.00200 0.00161 -0.00000 0.00003 167 3PX 0.00408 -0.00013 0.00401 -0.00000 0.00010 168 3PY 0.00194 -0.00104 0.00150 0.00000 0.00006 169 3PZ -0.00000 0.00000 0.00000 -0.00938 -0.00000 170 4XX 0.00011 -0.00009 -0.00005 0.00000 -0.00000 171 4YY -0.00018 0.00005 -0.00013 -0.00000 0.00000 172 4ZZ -0.00003 -0.00003 -0.00005 -0.00000 -0.00000 173 4XY 0.00001 0.00005 0.00004 -0.00000 -0.00000 174 4XZ 0.00000 -0.00000 -0.00000 0.00014 0.00000 175 4YZ 0.00000 -0.00000 0.00000 0.00017 -0.00000 176 17 C 1S -0.00073 0.00018 -0.00045 0.00000 -0.00005 177 2S 0.00093 0.00021 0.00085 -0.00000 0.00007 178 2PX -0.00031 0.00174 0.00263 -0.00000 0.00013 179 2PY -0.00833 0.00070 -0.00645 0.00000 -0.00022 180 2PZ 0.00000 -0.00000 0.00000 -0.00584 0.00000 181 3S -0.00465 0.00163 -0.00066 0.00000 0.00015 182 3PX -0.00139 0.00011 0.00067 -0.00000 0.00013 183 3PY 0.00108 -0.00181 -0.00055 0.00000 -0.00003 184 3PZ -0.00000 0.00000 0.00000 -0.00508 0.00000 185 4XX 0.00019 -0.00011 0.00014 -0.00000 -0.00000 186 4YY -0.00002 -0.00002 -0.00005 0.00000 0.00000 187 4ZZ -0.00009 0.00004 -0.00008 0.00000 -0.00000 188 4XY -0.00016 0.00007 -0.00014 0.00000 -0.00001 189 4XZ 0.00000 -0.00000 0.00000 0.00003 0.00000 190 4YZ 0.00000 -0.00000 0.00000 -0.00069 -0.00000 191 18 C 1S -0.00175 0.00064 -0.00188 0.00000 0.00001 192 2S 0.00302 -0.00144 0.00309 -0.00000 -0.00002 193 2PX -0.00643 0.00169 -0.00100 0.00000 -0.00030 194 2PY 0.00542 0.00047 0.00615 -0.00000 0.00022 195 2PZ -0.00000 -0.00000 -0.00000 0.00997 -0.00000 196 3S 0.00333 0.00051 0.00214 -0.00000 -0.00043 197 3PX -0.00658 0.00461 -0.00035 0.00000 -0.00034 198 3PY 0.00578 0.00008 0.00468 -0.00000 0.00001 199 3PZ -0.00000 0.00000 -0.00000 0.00926 -0.00000 200 4XX -0.00014 0.00010 -0.00010 0.00000 -0.00001 201 4YY 0.00000 0.00003 -0.00004 0.00000 0.00001 202 4ZZ -0.00006 -0.00001 -0.00009 0.00000 0.00000 203 4XY 0.00068 -0.00051 0.00011 -0.00000 0.00000 204 4XZ -0.00000 0.00000 -0.00000 0.00065 -0.00000 205 4YZ 0.00000 -0.00000 0.00000 -0.00018 -0.00000 206 19 H 1S 0.00150 -0.00163 -0.00107 0.00000 -0.00000 207 2S 0.00021 0.00058 0.00077 -0.00000 -0.00010 208 20 H 1S 0.00107 -0.00109 -0.00049 0.00000 -0.00004 209 2S 0.00106 -0.00139 0.00011 -0.00000 -0.00002 210 21 H 1S -0.00062 -0.00002 -0.00105 0.00000 -0.00002 211 2S -0.00064 -0.00006 -0.00137 0.00000 -0.00002 212 22 H 1S -0.00082 -0.00004 -0.00233 0.00000 -0.00007 213 2S 0.00112 -0.00021 -0.00080 0.00000 -0.00008 214 23 H 1S 0.00235 0.00377 0.00765 -0.00000 0.00002 215 2S -0.00122 0.00071 0.00314 -0.00000 0.00003 216 24 C 1S -0.00082 -0.00014 -0.00141 0.00000 -0.00003 217 2S -0.00087 0.00150 0.00226 -0.00000 0.00004 218 2PX 0.01595 -0.00387 0.00504 -0.00000 0.00033 219 2PY -0.02188 0.01205 -0.00031 0.00000 -0.00025 220 2PZ 0.00000 -0.00000 0.00000 -0.00418 0.00000 221 3S 0.00871 -0.00741 0.00163 -0.00000 0.00062 222 3PX 0.01868 -0.01017 -0.00550 0.00000 0.00027 223 3PY 0.00667 -0.00538 0.00064 -0.00000 0.00056 224 3PZ -0.00000 0.00000 -0.00000 -0.00039 -0.00000 225 4XX 0.00214 -0.00135 0.00005 -0.00000 -0.00002 226 4YY -0.00162 0.00092 -0.00019 0.00000 0.00002 227 4ZZ -0.00017 0.00012 -0.00000 0.00000 -0.00000 228 4XY -0.00173 0.00052 -0.00009 0.00000 -0.00001 229 4XZ 0.00000 -0.00000 0.00000 -0.00072 0.00000 230 4YZ 0.00000 -0.00000 0.00000 -0.00057 -0.00000 231 25 C 1S -0.00210 0.00167 0.00023 -0.00000 0.00004 232 2S 0.00449 -0.00388 -0.00061 0.00000 -0.00006 233 2PX -0.00705 -0.00012 -0.00270 0.00000 -0.00026 234 2PY -0.01049 0.00683 0.00035 -0.00000 -0.00012 235 2PZ 0.00000 -0.00000 -0.00000 0.00782 0.00000 236 3S 0.01469 -0.00957 -0.00470 0.00000 -0.00006 237 3PX 0.00691 -0.00565 -0.00498 0.00000 -0.00007 238 3PY -0.00521 0.00377 0.00042 -0.00000 -0.00022 239 3PZ 0.00000 -0.00000 -0.00000 0.00628 0.00000 240 4XX -0.00012 0.00009 -0.00003 0.00000 0.00000 241 4YY -0.00027 0.00025 0.00005 0.00000 -0.00000 242 4ZZ 0.00004 0.00003 0.00007 0.00000 0.00000 243 4XY 0.00021 -0.00010 -0.00007 0.00000 -0.00001 244 4XZ -0.00000 0.00000 0.00000 -0.00024 0.00000 245 4YZ 0.00000 -0.00000 -0.00000 -0.00014 -0.00000 246 26 C 1S -0.00021 0.00012 -0.00010 0.00000 0.00002 247 2S 0.00144 -0.00074 0.00039 -0.00000 -0.00001 248 2PX 0.00207 -0.00169 -0.00029 0.00000 -0.00002 249 2PY 0.01746 -0.00884 0.00046 -0.00000 0.00022 250 2PZ -0.00000 0.00000 -0.00000 0.00455 -0.00000 251 3S -0.00015 0.00111 0.00131 -0.00000 -0.00019 252 3PX -0.00252 0.00137 0.00127 -0.00000 -0.00008 253 3PY 0.00672 -0.00336 -0.00098 -0.00000 0.00008 254 3PZ -0.00000 0.00000 -0.00000 0.00310 -0.00000 255 4XX 0.00045 -0.00032 0.00000 -0.00000 -0.00000 256 4YY -0.00023 0.00020 0.00003 -0.00000 0.00000 257 4ZZ 0.00000 0.00002 -0.00003 -0.00000 0.00000 258 4XY 0.00000 -0.00011 -0.00009 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00008 -0.00000 260 4YZ 0.00000 -0.00000 -0.00000 0.00043 -0.00000 261 27 C 1S -0.00637 0.00301 -0.00067 0.00000 -0.00006 262 2S 0.01131 -0.00554 0.00115 -0.00000 0.00007 263 2PX 0.03432 -0.01804 0.00163 -0.00000 0.00024 264 2PY -0.00896 0.00429 0.00013 0.00000 -0.00018 265 2PZ 0.00000 -0.00000 0.00000 -0.00410 0.00000 266 3S 0.02041 -0.01051 -0.00110 0.00000 0.00020 267 3PX 0.01685 -0.00898 0.00029 -0.00000 0.00010 268 3PY -0.00192 -0.00021 -0.00166 0.00000 0.00008 269 3PZ 0.00000 -0.00000 0.00000 -0.00288 -0.00000 270 4XX -0.00022 0.00008 -0.00001 0.00000 0.00000 271 4YY -0.00086 0.00044 -0.00007 -0.00000 -0.00000 272 4ZZ -0.00023 0.00014 0.00000 -0.00000 -0.00000 273 4XY -0.00100 0.00052 -0.00007 0.00000 -0.00000 274 4XZ 0.00000 -0.00000 0.00000 -0.00031 0.00000 275 4YZ 0.00000 -0.00000 -0.00000 0.00016 0.00000 276 28 C 1S 0.01170 -0.00573 0.00115 -0.00000 0.00010 277 2S -0.02013 0.00946 -0.00136 0.00000 -0.00010 278 2PX -0.04539 0.02331 -0.00307 0.00000 -0.00035 279 2PY -0.03945 0.02080 -0.00241 0.00000 -0.00043 280 2PZ 0.00000 -0.00000 0.00000 -0.00672 0.00000 281 3S -0.04291 0.02590 0.00409 -0.00000 -0.00060 282 3PX -0.01649 0.00917 -0.00008 0.00000 -0.00017 283 3PY -0.02039 0.01309 0.00166 0.00000 -0.00044 284 3PZ 0.00000 -0.00000 0.00000 -0.00611 0.00000 285 4XX 0.00314 -0.00158 0.00012 -0.00000 0.00001 286 4YY -0.00237 0.00126 -0.00006 0.00000 -0.00002 287 4ZZ 0.00090 -0.00048 0.00003 0.00000 0.00001 288 4XY 0.00053 -0.00011 -0.00008 0.00000 -0.00002 289 4XZ -0.00000 0.00000 0.00000 0.00010 0.00000 290 4YZ 0.00000 -0.00000 0.00000 -0.00010 0.00000 291 29 C 1S -0.00818 0.00237 0.00048 -0.00000 0.00013 292 2S 0.01810 -0.00615 -0.00064 0.00000 -0.00020 293 2PX 0.07804 -0.03841 0.00114 -0.00000 0.00004 294 2PY 0.04702 -0.02271 0.00473 -0.00000 0.00061 295 2PZ -0.00000 0.00000 -0.00000 -0.00243 -0.00000 296 3S 0.03960 -0.02075 -0.00314 0.00000 0.00050 297 3PX 0.02563 -0.01011 0.00090 -0.00000 -0.00034 298 3PY -0.00160 0.00514 0.00650 -0.00000 -0.00008 299 3PZ 0.00000 -0.00000 -0.00000 0.00221 0.00000 300 4XX 0.00435 -0.00225 -0.00009 -0.00000 -0.00001 301 4YY -0.00223 0.00123 0.00011 -0.00000 0.00000 302 4ZZ -0.00094 0.00049 0.00000 -0.00000 -0.00000 303 4XY -0.00265 0.00120 -0.00005 -0.00000 0.00001 304 4XZ 0.00000 -0.00000 -0.00000 0.00038 -0.00000 305 4YZ 0.00000 -0.00000 -0.00000 0.00018 -0.00000 306 30 H 1S 0.04474 -0.02433 0.00093 -0.00000 0.00016 307 2S 0.02744 -0.01220 0.00307 -0.00000 0.00002 308 31 H 1S -0.00576 0.00232 -0.00002 0.00000 0.00006 309 2S -0.00362 0.00166 0.00049 -0.00000 0.00002 310 32 H 1S -0.00451 0.00261 -0.00037 0.00000 0.00003 311 2S -0.00865 0.00416 -0.00102 0.00000 0.00002 312 33 H 1S 0.00128 -0.00062 0.00030 -0.00000 0.00001 313 2S 0.00133 -0.00098 0.00050 -0.00000 -0.00002 314 34 H 1S -0.00135 0.00188 0.00067 -0.00000 0.00002 315 2S 0.00040 -0.00005 -0.00095 0.00000 0.00015 86 87 88 89 90 86 4YY 0.00155 87 4ZZ -0.00002 0.00091 88 4XY -0.00034 0.00019 0.00156 89 4XZ 0.00000 -0.00000 -0.00000 0.00050 90 4YZ -0.00000 -0.00000 0.00000 0.00013 0.00036 91 7 C 1S 0.00335 0.00189 -0.00027 -0.00000 -0.00000 92 2S -0.00800 -0.00436 0.00018 0.00000 0.00000 93 2PX -0.01266 -0.00673 -0.00378 0.00000 0.00000 94 2PY -0.00109 -0.00020 -0.01463 0.00000 -0.00000 95 2PZ -0.00000 -0.00000 0.00000 -0.01145 0.00103 96 3S -0.00833 -0.00168 0.00272 -0.00000 0.00000 97 3PX -0.00430 -0.00154 -0.00226 0.00000 0.00000 98 3PY 0.00014 -0.00069 -0.00398 0.00000 -0.00000 99 3PZ -0.00000 -0.00000 0.00000 -0.00784 0.00033 100 4XX -0.00005 -0.00048 -0.00039 0.00000 0.00000 101 4YY 0.00041 0.00025 0.00060 -0.00000 -0.00000 102 4ZZ 0.00028 0.00029 -0.00004 0.00000 -0.00000 103 4XY -0.00032 0.00000 0.00119 -0.00000 0.00000 104 4XZ -0.00000 -0.00000 -0.00000 -0.00001 0.00035 105 4YZ -0.00000 -0.00000 -0.00000 -0.00020 -0.00004 106 8 H 1S 0.00055 0.00020 0.01069 -0.00000 -0.00000 107 2S 0.00222 0.00042 0.00924 -0.00000 -0.00000 108 9 H 1S 0.01093 -0.00592 -0.01260 0.00000 -0.00000 109 2S 0.00904 -0.00178 -0.01028 0.00000 -0.00000 110 10 H 1S -0.00563 0.00080 0.00405 -0.00000 0.00000 111 2S -0.00686 0.00104 0.00077 -0.00000 0.00000 112 11 H 1S -0.00315 0.00003 0.00131 -0.00000 0.00000 113 2S -0.00343 -0.00023 0.00281 -0.00000 0.00000 114 12 H 1S 0.00070 0.00004 -0.00101 0.00000 -0.00000 115 2S 0.00141 -0.00039 -0.00267 0.00000 -0.00000 116 13 C 1S -0.00014 -0.00004 0.00023 -0.00000 0.00000 117 2S 0.00029 0.00009 -0.00054 0.00000 -0.00000 118 2PX 0.00025 0.00002 -0.00087 0.00000 -0.00000 119 2PY -0.00038 -0.00025 0.00067 -0.00000 0.00000 120 2PZ -0.00000 -0.00000 -0.00000 0.00196 0.00089 121 3S 0.00071 0.00040 -0.00065 0.00000 -0.00000 122 3PX 0.00044 0.00050 0.00058 -0.00000 -0.00000 123 3PY -0.00044 -0.00039 0.00017 -0.00000 0.00000 124 3PZ -0.00000 -0.00000 -0.00000 0.00155 0.00073 125 4XX -0.00004 -0.00001 0.00007 -0.00000 0.00000 126 4YY 0.00003 0.00001 -0.00003 -0.00000 -0.00000 127 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 128 4XY 0.00002 -0.00001 -0.00000 0.00000 0.00000 129 4XZ 0.00000 0.00000 0.00000 -0.00007 -0.00006 130 4YZ -0.00000 -0.00000 -0.00000 0.00008 0.00008 131 14 C 1S 0.00004 0.00001 -0.00003 0.00000 -0.00000 132 2S -0.00008 -0.00004 0.00007 -0.00000 0.00000 133 2PX -0.00010 -0.00007 0.00037 -0.00000 0.00000 134 2PY -0.00018 0.00013 0.00013 -0.00000 -0.00000 135 2PZ -0.00000 -0.00000 -0.00000 0.00131 0.00081 136 3S -0.00050 -0.00011 0.00028 -0.00000 0.00000 137 3PX -0.00022 -0.00019 0.00010 -0.00000 0.00000 138 3PY -0.00027 0.00008 0.00045 -0.00000 -0.00000 139 3PZ -0.00000 -0.00000 -0.00000 0.00088 0.00051 140 4XX -0.00001 -0.00001 0.00005 -0.00000 0.00000 141 4YY -0.00000 0.00001 -0.00003 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY -0.00001 -0.00000 0.00001 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 -0.00002 -0.00001 145 4YZ 0.00000 0.00000 0.00000 -0.00008 -0.00004 146 15 C 1S 0.00001 -0.00003 0.00002 -0.00000 0.00000 147 2S -0.00002 0.00004 -0.00003 0.00000 -0.00000 148 2PX -0.00009 0.00012 -0.00002 0.00000 0.00000 149 2PY 0.00003 -0.00005 0.00012 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 -0.00057 -0.00027 151 3S 0.00028 0.00000 -0.00034 0.00000 -0.00000 152 3PX -0.00001 0.00002 -0.00021 0.00000 -0.00000 153 3PY -0.00014 0.00003 0.00024 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 -0.00041 -0.00015 155 4XX -0.00000 -0.00000 0.00002 -0.00000 0.00000 156 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 157 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 158 4XY 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 159 4XZ -0.00000 -0.00000 -0.00000 0.00008 0.00005 160 4YZ 0.00000 0.00000 0.00000 -0.00005 -0.00003 161 16 C 1S -0.00001 0.00001 -0.00001 0.00000 0.00000 162 2S 0.00002 -0.00001 0.00002 -0.00000 -0.00000 163 2PX 0.00005 -0.00009 0.00002 -0.00000 0.00000 164 2PY 0.00001 -0.00001 0.00002 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 -0.00164 -0.00097 166 3S -0.00009 0.00002 0.00008 -0.00000 0.00000 167 3PX -0.00003 -0.00005 -0.00004 0.00000 0.00000 168 3PY 0.00005 -0.00004 -0.00008 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 -0.00117 -0.00073 170 4XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 171 4YY 0.00000 0.00000 -0.00001 -0.00000 -0.00000 172 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 173 4XY -0.00000 0.00000 0.00001 -0.00000 0.00000 174 4XZ 0.00000 0.00000 -0.00000 -0.00001 -0.00000 175 4YZ -0.00000 -0.00000 -0.00000 0.00002 0.00001 176 17 C 1S -0.00001 0.00001 0.00006 -0.00000 0.00000 177 2S 0.00005 -0.00000 -0.00012 0.00000 -0.00000 178 2PX 0.00005 -0.00004 -0.00017 0.00000 -0.00000 179 2PY -0.00012 0.00007 0.00025 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 -0.00074 -0.00037 181 3S 0.00002 -0.00009 -0.00019 0.00000 0.00000 182 3PX 0.00000 -0.00009 -0.00018 0.00000 0.00000 183 3PY -0.00003 -0.00001 -0.00001 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 -0.00062 -0.00032 185 4XX -0.00001 -0.00000 0.00002 -0.00000 0.00000 186 4YY 0.00000 -0.00000 -0.00001 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00001 0.00000 -0.00000 0.00000 -0.00000 189 4XZ -0.00000 -0.00000 0.00000 -0.00001 -0.00000 190 4YZ 0.00000 0.00000 0.00000 -0.00009 -0.00006 191 18 C 1S 0.00006 0.00003 -0.00010 0.00000 -0.00000 192 2S -0.00014 -0.00008 0.00020 -0.00000 0.00000 193 2PX -0.00022 0.00001 0.00065 -0.00000 0.00000 194 2PY 0.00007 -0.00007 -0.00016 -0.00000 -0.00000 195 2PZ -0.00000 -0.00000 -0.00000 0.00119 0.00080 196 3S -0.00015 0.00016 0.00093 -0.00000 0.00000 197 3PX -0.00011 0.00017 0.00084 -0.00000 0.00000 198 3PY 0.00017 0.00011 -0.00002 -0.00000 -0.00000 199 3PZ -0.00000 -0.00000 -0.00000 0.00095 0.00068 200 4XX 0.00001 0.00001 0.00001 -0.00000 -0.00000 201 4YY 0.00001 0.00000 -0.00002 0.00000 0.00000 202 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 203 4XY -0.00002 -0.00001 0.00002 -0.00000 0.00000 204 4XZ -0.00000 -0.00000 -0.00000 0.00009 0.00004 205 4YZ 0.00000 0.00000 0.00000 -0.00004 -0.00002 206 19 H 1S -0.00003 -0.00000 0.00002 -0.00000 0.00000 207 2S 0.00006 0.00014 0.00018 -0.00000 -0.00000 208 20 H 1S -0.00004 0.00001 0.00010 -0.00000 0.00000 209 2S -0.00008 -0.00003 0.00013 -0.00000 0.00000 210 21 H 1S 0.00001 0.00002 -0.00003 0.00000 -0.00000 211 2S 0.00002 0.00002 -0.00006 0.00000 -0.00000 212 22 H 1S 0.00001 0.00003 0.00001 -0.00000 -0.00000 213 2S 0.00006 -0.00001 -0.00005 0.00000 -0.00000 214 23 H 1S 0.00015 -0.00007 0.00002 -0.00000 -0.00000 215 2S 0.00026 0.00019 0.00017 -0.00000 -0.00000 216 24 C 1S 0.00004 0.00005 -0.00015 0.00000 -0.00000 217 2S -0.00005 -0.00005 0.00043 -0.00000 0.00000 218 2PX -0.00009 -0.00019 0.00063 -0.00000 0.00000 219 2PY 0.00007 0.00010 -0.00009 -0.00000 -0.00000 220 2PZ -0.00000 -0.00000 -0.00000 0.00251 0.00086 221 3S -0.00081 -0.00067 -0.00048 0.00000 0.00000 222 3PX -0.00064 -0.00063 -0.00149 0.00000 0.00000 223 3PY -0.00012 -0.00030 0.00028 -0.00000 -0.00000 224 3PZ -0.00000 -0.00000 -0.00000 0.00185 0.00071 225 4XX -0.00001 -0.00002 -0.00007 0.00000 0.00000 226 4YY 0.00001 0.00001 0.00004 0.00000 0.00000 227 4ZZ 0.00001 0.00001 0.00001 0.00000 0.00000 228 4XY -0.00001 0.00001 0.00011 -0.00000 0.00000 229 4XZ 0.00000 0.00000 -0.00000 -0.00009 -0.00006 230 4YZ 0.00000 0.00000 0.00000 -0.00011 -0.00008 231 25 C 1S 0.00001 0.00000 0.00012 -0.00000 -0.00000 232 2S -0.00003 -0.00002 -0.00023 0.00000 0.00000 233 2PX -0.00006 0.00006 -0.00054 0.00000 -0.00000 234 2PY 0.00002 0.00006 0.00007 -0.00000 -0.00000 235 2PZ -0.00000 -0.00000 -0.00000 0.00134 0.00080 236 3S -0.00036 -0.00033 -0.00135 0.00000 0.00000 237 3PX -0.00030 -0.00022 -0.00112 0.00000 0.00000 238 3PY -0.00002 0.00012 -0.00030 -0.00000 -0.00000 239 3PZ -0.00000 -0.00000 -0.00000 0.00114 0.00069 240 4XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 241 4YY 0.00001 0.00000 0.00001 -0.00000 -0.00000 242 4ZZ 0.00000 0.00000 0.00001 -0.00000 -0.00000 243 4XY 0.00000 -0.00000 -0.00005 -0.00000 -0.00000 244 4XZ -0.00000 -0.00000 -0.00000 0.00012 0.00004 245 4YZ -0.00000 -0.00000 -0.00000 0.00005 0.00002 246 26 C 1S 0.00000 -0.00001 0.00007 -0.00000 0.00000 247 2S -0.00002 -0.00002 -0.00017 0.00000 0.00000 248 2PX -0.00003 -0.00004 -0.00014 0.00000 0.00000 249 2PY 0.00002 -0.00011 0.00002 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 -0.00105 -0.00035 251 3S 0.00023 0.00014 -0.00008 0.00000 -0.00000 252 3PX 0.00015 0.00011 0.00024 -0.00000 -0.00000 253 3PY -0.00016 -0.00009 -0.00039 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 -0.00087 -0.00031 255 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00000 256 4YY 0.00000 0.00000 0.00002 -0.00000 -0.00000 257 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 258 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 260 4YZ -0.00000 -0.00000 -0.00000 0.00010 0.00006 261 27 C 1S 0.00002 0.00008 0.00014 -0.00000 -0.00000 262 2S -0.00002 -0.00012 -0.00032 0.00000 0.00000 263 2PX -0.00007 -0.00029 -0.00070 0.00000 0.00000 264 2PY -0.00000 0.00006 -0.00013 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 -0.00183 -0.00096 266 3S -0.00042 -0.00038 -0.00125 0.00000 0.00000 267 3PX -0.00008 -0.00019 -0.00055 0.00000 0.00000 268 3PY -0.00037 -0.00013 -0.00052 0.00000 0.00000 269 3PZ 0.00000 0.00000 0.00000 -0.00138 -0.00073 270 4XX -0.00000 0.00000 0.00001 -0.00000 0.00000 271 4YY -0.00000 0.00001 0.00002 0.00000 0.00000 272 4ZZ 0.00001 0.00001 0.00001 0.00000 0.00000 273 4XY 0.00001 0.00001 0.00005 -0.00000 -0.00000 274 4XZ -0.00000 -0.00000 -0.00000 0.00001 -0.00000 275 4YZ 0.00000 0.00000 -0.00000 -0.00003 -0.00001 276 28 C 1S -0.00004 -0.00013 -0.00027 0.00000 0.00000 277 2S -0.00001 0.00017 0.00042 -0.00000 -0.00000 278 2PX 0.00005 0.00040 0.00069 -0.00000 -0.00000 279 2PY 0.00016 0.00042 0.00073 -0.00000 -0.00000 280 2PZ 0.00000 0.00000 -0.00000 -0.00026 -0.00028 281 3S 0.00136 0.00090 0.00302 -0.00000 -0.00000 282 3PX 0.00028 0.00022 0.00069 -0.00000 -0.00000 283 3PY 0.00074 0.00043 0.00130 -0.00000 -0.00000 284 3PZ -0.00000 -0.00000 -0.00000 0.00004 -0.00014 285 4XX -0.00001 -0.00003 -0.00012 0.00000 0.00000 286 4YY 0.00002 0.00003 0.00011 -0.00000 -0.00000 287 4ZZ -0.00001 -0.00001 -0.00003 -0.00000 -0.00000 288 4XY 0.00000 0.00000 -0.00006 -0.00000 -0.00000 289 4XZ -0.00000 -0.00000 -0.00000 0.00010 0.00005 290 4YZ -0.00000 -0.00000 -0.00000 0.00007 0.00003 291 29 C 1S 0.00004 0.00003 0.00064 -0.00000 -0.00000 292 2S -0.00013 -0.00015 -0.00143 0.00000 0.00000 293 2PX -0.00039 -0.00079 -0.00386 0.00000 0.00000 294 2PY -0.00007 -0.00044 -0.00002 -0.00000 -0.00000 295 2PZ -0.00000 -0.00000 -0.00000 0.00182 0.00078 296 3S -0.00103 -0.00074 -0.00329 0.00000 0.00000 297 3PX 0.00007 -0.00021 -0.00186 0.00000 -0.00000 298 3PY 0.00120 0.00049 0.00236 -0.00000 -0.00000 299 3PZ -0.00000 -0.00000 -0.00000 0.00074 0.00046 300 4XX -0.00002 -0.00005 -0.00025 0.00000 0.00000 301 4YY -0.00001 0.00002 0.00008 -0.00000 -0.00000 302 4ZZ 0.00000 0.00001 0.00002 -0.00000 -0.00000 303 4XY 0.00002 0.00003 0.00012 -0.00000 -0.00000 304 4XZ -0.00000 -0.00000 -0.00000 -0.00007 -0.00002 305 4YZ -0.00000 -0.00000 -0.00000 0.00007 0.00003 306 30 H 1S 0.00003 -0.00035 -0.00100 0.00000 0.00000 307 2S 0.00011 0.00002 -0.00045 0.00000 -0.00000 308 31 H 1S -0.00000 0.00003 0.00032 -0.00000 -0.00000 309 2S 0.00011 0.00004 0.00048 -0.00000 -0.00000 310 32 H 1S 0.00002 0.00004 0.00026 -0.00000 -0.00000 311 2S -0.00004 0.00005 0.00030 -0.00000 0.00000 312 33 H 1S 0.00001 0.00001 -0.00003 0.00000 -0.00000 313 2S 0.00004 0.00003 0.00002 -0.00000 -0.00000 314 34 H 1S 0.00000 0.00001 0.00025 -0.00000 0.00000 315 2S -0.00004 -0.00010 0.00028 -0.00000 0.00000 91 92 93 94 95 91 7 C 1S 2.05345 92 2S -0.06555 0.33572 93 2PX -0.00039 0.00633 0.43300 94 2PY 0.00497 -0.00778 0.02031 0.43672 95 2PZ -0.00000 0.00000 0.00000 -0.00000 0.31455 96 3S -0.17800 0.27937 -0.06069 0.03243 -0.00000 97 3PX 0.00663 -0.01949 0.14299 0.02245 -0.00000 98 3PY 0.00173 -0.01523 0.01360 0.14104 -0.00000 99 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.21196 100 4XX -0.01737 -0.00253 0.01199 0.00620 -0.00000 101 4YY -0.02028 0.00256 -0.01663 -0.01297 0.00000 102 4ZZ -0.01124 -0.01627 0.00058 0.00076 -0.00000 103 4XY -0.00105 0.00143 0.00245 -0.01729 0.00000 104 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00500 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00426 106 8 H 1S -0.06214 0.11951 -0.11606 -0.26076 0.00000 107 2S -0.00435 0.01667 -0.06986 -0.21660 0.00000 108 9 H 1S 0.01500 -0.03230 -0.03739 0.01849 -0.00000 109 2S 0.01779 -0.03390 -0.06803 0.03575 -0.00000 110 10 H 1S -0.00767 0.01793 0.03697 0.00567 -0.00000 111 2S -0.01140 0.02354 0.06502 0.01491 -0.00000 112 11 H 1S -0.00117 0.00253 0.00438 0.00261 -0.00000 113 2S 0.00133 -0.00120 0.00613 -0.00286 0.00000 114 12 H 1S -0.00811 0.02016 -0.01462 0.03080 -0.00000 115 2S -0.01643 0.03541 -0.02918 0.08345 -0.00000 116 13 C 1S 0.00215 -0.00464 0.00708 -0.00654 0.00000 117 2S -0.00476 0.00991 -0.01349 0.01344 -0.00000 118 2PX -0.00645 0.01359 -0.01601 0.01978 -0.00000 119 2PY 0.00643 -0.01229 0.02091 -0.01712 0.00000 120 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.03356 121 3S -0.01231 0.02437 -0.06417 0.04319 -0.00000 122 3PX 0.00325 -0.00398 -0.04395 0.00374 -0.00000 123 3PY 0.00456 -0.01256 0.03864 -0.02277 0.00000 124 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.02729 125 4XX 0.00057 -0.00124 0.00185 -0.00153 0.00000 126 4YY -0.00036 0.00076 -0.00164 0.00104 0.00000 127 4ZZ 0.00005 -0.00017 0.00040 -0.00027 0.00000 128 4XY -0.00002 -0.00004 -0.00001 -0.00028 -0.00000 129 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00112 130 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00129 131 14 C 1S -0.00029 0.00053 -0.00025 0.00099 -0.00000 132 2S 0.00070 -0.00151 0.00081 -0.00284 0.00000 133 2PX 0.00246 -0.00532 0.00423 -0.00945 0.00000 134 2PY 0.00054 -0.00210 0.00218 -0.00310 0.00000 135 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.02224 136 3S 0.00007 0.00005 -0.00490 0.00230 -0.00000 137 3PX 0.00022 -0.00182 0.01287 -0.00645 0.00000 138 3PY 0.00188 -0.00574 -0.01300 -0.00242 0.00000 139 3PZ -0.00000 0.00000 0.00000 0.00000 -0.01629 140 4XX 0.00037 -0.00074 0.00058 -0.00107 0.00000 141 4YY -0.00031 0.00054 -0.00038 0.00076 -0.00000 142 4ZZ 0.00000 -0.00007 0.00004 -0.00015 -0.00000 143 4XY 0.00019 -0.00030 0.00050 -0.00036 0.00000 144 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00024 145 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00134 146 15 C 1S 0.00020 -0.00029 0.00036 -0.00050 0.00000 147 2S -0.00042 0.00051 -0.00143 0.00130 -0.00000 148 2PX -0.00073 0.00051 -0.00173 0.00133 -0.00000 149 2PY 0.00073 -0.00138 0.00137 -0.00213 -0.00000 150 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00938 151 3S -0.00210 0.00449 0.01261 -0.00086 0.00000 152 3PX -0.00104 0.00246 0.00203 0.00393 -0.00000 153 3PY 0.00134 -0.00305 -0.00560 -0.00179 -0.00000 154 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00782 155 4XX 0.00011 -0.00021 0.00022 -0.00046 0.00000 156 4YY -0.00005 0.00012 0.00003 0.00024 -0.00000 157 4ZZ 0.00000 -0.00002 -0.00008 0.00002 -0.00000 158 4XY -0.00007 0.00013 -0.00022 0.00030 0.00000 159 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00137 160 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00076 161 16 C 1S -0.00007 0.00008 0.00004 0.00007 -0.00000 162 2S 0.00015 -0.00026 0.00040 -0.00051 0.00000 163 2PX 0.00055 -0.00039 0.00121 -0.00167 0.00000 164 2PY 0.00009 -0.00005 0.00044 -0.00064 -0.00000 165 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.02646 166 3S 0.00137 -0.00203 -0.00484 0.00067 -0.00000 167 3PX -0.00003 0.00046 -0.00017 0.00194 -0.00000 168 3PY -0.00076 0.00155 0.00574 -0.00070 -0.00000 169 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.01845 170 4XX 0.00001 -0.00004 0.00010 0.00002 -0.00000 171 4YY -0.00005 0.00011 -0.00023 0.00012 0.00000 172 4ZZ -0.00000 -0.00001 0.00005 -0.00005 0.00000 173 4XY 0.00007 -0.00015 0.00010 -0.00020 0.00000 174 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00013 175 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00037 176 17 C 1S 0.00036 -0.00081 0.00103 -0.00089 0.00000 177 2S -0.00069 0.00158 -0.00321 0.00219 -0.00000 178 2PX -0.00109 0.00274 -0.00305 0.00292 -0.00000 179 2PY 0.00134 -0.00356 0.00388 -0.00378 -0.00000 180 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.01215 181 3S -0.00175 0.00302 0.00790 -0.00286 0.00000 182 3PX -0.00195 0.00339 0.00526 0.00107 -0.00000 183 3PY -0.00039 0.00030 0.00253 0.00257 -0.00000 184 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00997 185 4XX 0.00012 -0.00026 0.00056 -0.00052 0.00000 186 4YY -0.00005 0.00011 -0.00005 0.00020 -0.00000 187 4ZZ 0.00003 -0.00008 -0.00007 -0.00003 -0.00000 188 4XY -0.00002 0.00004 -0.00032 0.00023 -0.00000 189 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00009 190 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00143 191 18 C 1S -0.00106 0.00194 -0.00309 0.00268 -0.00000 192 2S 0.00194 -0.00390 0.00732 -0.00530 0.00000 193 2PX 0.00387 -0.00825 0.01097 -0.01339 0.00000 194 2PY -0.00133 0.00369 -0.00288 0.00158 0.00000 195 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.01913 196 3S 0.00885 -0.01591 -0.00447 -0.01448 0.00000 197 3PX 0.00593 -0.01029 -0.00356 -0.01551 0.00000 198 3PY -0.00087 0.00325 -0.01484 0.00830 0.00000 199 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.01435 200 4XX 0.00011 -0.00016 -0.00020 -0.00017 0.00000 201 4YY -0.00015 0.00028 -0.00055 0.00060 -0.00000 202 4ZZ -0.00010 0.00014 -0.00005 0.00022 -0.00000 203 4XY 0.00017 -0.00032 0.00085 -0.00039 0.00000 204 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00147 205 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00062 206 19 H 1S 0.00007 -0.00029 0.00067 0.00017 -0.00000 207 2S 0.00061 -0.00028 -0.00978 0.00246 -0.00000 208 20 H 1S 0.00061 -0.00148 0.00206 -0.00217 0.00000 209 2S 0.00052 -0.00142 0.00549 -0.00346 0.00000 210 21 H 1S -0.00031 0.00055 -0.00095 0.00087 -0.00000 211 2S -0.00046 0.00093 -0.00303 0.00224 -0.00000 212 22 H 1S -0.00020 0.00008 -0.00058 0.00059 -0.00000 213 2S -0.00043 0.00075 -0.00021 0.00178 -0.00000 214 23 H 1S 0.00062 -0.00074 0.00084 -0.00035 0.00000 215 2S 0.00354 -0.00605 0.00396 -0.01236 0.00000 216 24 C 1S -0.00092 0.00179 -0.00369 0.00379 -0.00000 217 2S 0.00163 -0.00324 0.00360 -0.00900 0.00000 218 2PX 0.00189 -0.00285 0.00802 -0.01366 0.00000 219 2PY 0.00387 -0.00854 0.00777 -0.00017 0.00000 220 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.03939 221 3S 0.00483 -0.00897 0.06289 -0.01239 0.00000 222 3PX 0.00492 -0.01218 0.05859 0.00070 0.00000 223 3PY -0.00174 0.00228 0.01980 -0.02108 0.00000 224 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.02922 225 4XX 0.00038 -0.00097 0.00123 0.00152 -0.00000 226 4YY -0.00044 0.00089 -0.00040 -0.00126 -0.00000 227 4ZZ -0.00014 0.00024 -0.00085 0.00001 -0.00000 228 4XY -0.00008 0.00014 0.00014 -0.00313 0.00000 229 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00176 230 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00177 231 25 C 1S -0.00029 0.00070 -0.00076 -0.00240 0.00000 232 2S 0.00053 -0.00151 0.00084 0.00565 -0.00000 233 2PX 0.00098 -0.00286 0.00188 0.01081 -0.00000 234 2PY -0.00027 0.00072 -0.00083 -0.00075 0.00000 235 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.02224 236 3S 0.00445 -0.01044 0.03290 0.01009 -0.00000 237 3PX 0.00269 -0.00648 0.02310 0.01137 -0.00000 238 3PY 0.00100 -0.00216 -0.00551 0.01465 -0.00000 239 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.01956 240 4XX -0.00003 0.00008 0.00009 -0.00022 0.00000 241 4YY -0.00001 0.00002 -0.00003 -0.00034 0.00000 242 4ZZ -0.00001 -0.00002 -0.00005 0.00000 0.00000 243 4XY 0.00031 -0.00068 0.00061 0.00102 0.00000 244 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00190 245 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00072 246 26 C 1S -0.00025 0.00057 -0.00052 -0.00093 0.00000 247 2S 0.00063 -0.00149 0.00235 0.00184 -0.00000 248 2PX 0.00074 -0.00204 0.00195 0.00199 -0.00000 249 2PY 0.00054 -0.00077 0.00147 0.00042 -0.00000 250 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.01558 251 3S 0.00104 -0.00184 -0.01416 0.01160 -0.00000 252 3PX -0.00053 0.00113 -0.01155 0.00226 -0.00000 253 3PY 0.00088 -0.00203 0.00844 0.00625 -0.00000 254 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.01345 255 4XX 0.00003 -0.00006 -0.00008 0.00039 -0.00000 256 4YY -0.00008 0.00016 -0.00027 -0.00032 0.00000 257 4ZZ 0.00001 -0.00004 0.00015 -0.00001 0.00000 258 4XY -0.00005 0.00009 -0.00004 0.00005 -0.00000 259 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00005 260 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00154 261 27 C 1S -0.00079 0.00150 -0.00262 -0.00333 0.00000 262 2S 0.00164 -0.00336 0.00390 0.00737 -0.00000 263 2PX 0.00347 -0.00681 0.00999 0.01495 -0.00000 264 2PY 0.00029 -0.00118 -0.00014 0.00073 -0.00000 265 2PZ -0.00000 0.00000 0.00000 -0.00000 0.02803 266 3S 0.00475 -0.00961 0.02986 0.01814 -0.00000 267 3PX 0.00288 -0.00536 0.01009 0.01003 -0.00000 268 3PY 0.00045 -0.00152 0.01840 0.00266 -0.00000 269 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.02161 270 4XX -0.00005 0.00017 -0.00008 -0.00038 0.00000 271 4YY -0.00009 0.00016 -0.00019 -0.00043 -0.00000 272 4ZZ -0.00006 0.00008 -0.00036 -0.00013 -0.00000 273 4XY -0.00019 0.00038 -0.00063 -0.00100 0.00000 274 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00008 275 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00049 276 28 C 1S 0.00122 -0.00252 0.00423 0.00572 -0.00000 277 2S -0.00263 0.00514 -0.00496 -0.01091 0.00000 278 2PX -0.00387 0.00740 -0.01060 -0.01520 0.00000 279 2PY -0.00328 0.00603 -0.01142 -0.01611 0.00000 280 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00434 281 3S -0.00818 0.01810 -0.07974 -0.04408 0.00000 282 3PX -0.00160 0.00363 -0.01539 -0.01215 0.00000 283 3PY -0.00181 0.00501 -0.03599 -0.01829 0.00000 284 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00243 285 4XX 0.00054 -0.00122 0.00152 0.00279 -0.00000 286 4YY -0.00037 0.00089 -0.00181 -0.00222 0.00000 287 4ZZ 0.00003 -0.00015 0.00077 0.00047 0.00000 288 4XY 0.00036 -0.00075 0.00057 0.00165 -0.00000 289 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00158 290 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00119 291 29 C 1S -0.00318 0.00679 -0.00961 -0.01598 0.00000 292 2S 0.00679 -0.01483 0.01944 0.03438 -0.00000 293 2PX 0.01864 -0.03949 0.05374 0.08622 -0.00000 294 2PY 0.00033 0.00035 0.00387 0.00173 0.00000 295 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.02648 296 3S 0.00790 -0.01412 0.06413 0.06064 -0.00000 297 3PX 0.01087 -0.01813 0.01253 0.04847 -0.00000 298 3PY -0.00658 0.01400 -0.06785 -0.02962 0.00000 299 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00618 300 4XX 0.00107 -0.00235 0.00342 0.00535 -0.00000 301 4YY -0.00044 0.00086 -0.00073 -0.00171 0.00000 302 4ZZ -0.00024 0.00040 -0.00057 -0.00054 0.00000 303 4XY -0.00088 0.00161 -0.00180 -0.00297 0.00000 304 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00144 305 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00106 306 30 H 1S 0.00757 -0.01770 0.01790 0.02325 -0.00000 307 2S 0.00166 -0.01192 -0.00573 0.02239 -0.00000 308 31 H 1S -0.00176 0.00373 -0.00453 -0.00718 0.00000 309 2S -0.00139 0.00357 -0.00798 -0.00987 0.00000 310 32 H 1S -0.00100 0.00217 -0.00224 -0.00477 0.00000 311 2S -0.00147 0.00306 0.00013 -0.00808 0.00000 312 33 H 1S -0.00000 0.00023 -0.00025 0.00103 -0.00000 313 2S -0.00012 0.00048 -0.00327 0.00209 -0.00000 314 34 H 1S -0.00085 0.00198 -0.00164 -0.00477 0.00000 315 2S -0.00196 0.00397 0.00519 -0.01268 0.00000 96 97 98 99 100 96 3S 0.29448 97 3PX -0.02939 0.07236 98 3PY 0.00021 0.00104 0.05959 99 3PZ -0.00000 0.00000 -0.00000 0.14447 100 4XX -0.00322 0.00337 0.00210 -0.00000 0.00103 101 4YY 0.00464 -0.00439 -0.00410 0.00000 -0.00078 102 4ZZ -0.01235 0.00125 0.00048 -0.00000 0.00025 103 4XY 0.00166 -0.00085 -0.00425 0.00000 -0.00027 104 4XZ -0.00000 0.00000 0.00000 0.00343 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00250 0.00000 106 8 H 1S 0.09384 -0.06060 -0.08121 0.00000 -0.00775 107 2S 0.00090 -0.03579 -0.05754 0.00000 -0.00618 108 9 H 1S -0.06327 -0.00161 -0.00111 0.00000 0.00329 109 2S -0.05138 -0.01362 0.00403 -0.00000 0.00043 110 10 H 1S 0.03261 0.03072 -0.01292 0.00000 -0.00117 111 2S 0.02937 0.03783 -0.00726 0.00000 -0.00019 112 11 H 1S 0.02139 0.00226 0.00114 -0.00000 0.00004 113 2S 0.01692 0.00386 0.00231 -0.00000 -0.00021 114 12 H 1S 0.02613 -0.01881 0.00171 -0.00000 0.00173 115 2S 0.04487 -0.02455 0.01917 -0.00000 0.00243 116 13 C 1S -0.01168 0.00347 -0.00461 0.00000 0.00040 117 2S 0.02533 -0.00740 0.01042 -0.00000 -0.00083 118 2PX 0.02431 -0.02544 0.00854 -0.00000 -0.00145 119 2PY -0.05493 0.01041 -0.02900 0.00000 0.00160 120 2PZ 0.00000 -0.00000 0.00000 -0.02942 -0.00000 121 3S 0.05756 -0.04068 0.02690 -0.00000 -0.00187 122 3PX 0.01439 -0.02183 0.00453 -0.00000 -0.00041 123 3PY -0.02135 0.02587 -0.01219 0.00000 0.00113 124 3PZ 0.00000 -0.00000 0.00000 -0.02299 -0.00000 125 4XX -0.00294 0.00124 -0.00098 0.00000 0.00016 126 4YY 0.00202 -0.00110 0.00070 0.00000 -0.00011 127 4ZZ -0.00080 0.00027 -0.00037 0.00000 0.00002 128 4XY -0.00127 0.00077 -0.00074 0.00000 -0.00008 129 4XZ 0.00000 -0.00000 0.00000 0.00065 0.00000 130 4YZ -0.00000 0.00000 0.00000 -0.00096 0.00000 131 14 C 1S 0.00445 -0.00221 0.00183 -0.00000 0.00022 132 2S -0.01044 0.00511 -0.00453 0.00000 -0.00048 133 2PX -0.02519 0.01930 -0.01356 0.00000 -0.00062 134 2PY 0.02345 0.00332 0.01845 -0.00000 0.00017 135 2PZ -0.00000 -0.00000 -0.00000 -0.01956 -0.00000 136 3S -0.01766 0.00035 -0.00807 0.00000 -0.00067 137 3PX -0.00706 0.01358 -0.00415 0.00000 -0.00031 138 3PY 0.01193 -0.00287 0.00728 0.00000 0.00034 139 3PZ -0.00000 0.00000 0.00000 -0.01466 -0.00000 140 4XX -0.00271 0.00166 -0.00140 0.00000 0.00001 141 4YY 0.00212 -0.00115 0.00121 -0.00000 -0.00003 142 4ZZ 0.00051 -0.00017 0.00026 -0.00000 0.00001 143 4XY -0.00162 0.00089 -0.00087 0.00000 0.00001 144 4XZ 0.00000 -0.00000 0.00000 0.00017 -0.00000 145 4YZ -0.00000 0.00000 -0.00000 0.00117 0.00000 146 15 C 1S -0.00580 0.00118 -0.00396 0.00000 -0.00002 147 2S 0.01075 -0.00358 0.00744 -0.00000 0.00007 148 2PX 0.02716 -0.00500 0.01988 -0.00000 0.00010 149 2PY -0.01247 0.00329 -0.00892 0.00000 0.00009 150 2PZ 0.00000 -0.00000 0.00000 0.00720 -0.00000 151 3S 0.01469 0.00105 0.00859 -0.00000 -0.00008 152 3PX 0.00885 -0.00162 0.00731 -0.00000 -0.00005 153 3PY -0.00593 -0.00144 -0.00361 -0.00000 0.00012 154 3PZ 0.00000 0.00000 -0.00000 0.00628 -0.00000 155 4XX -0.00130 0.00080 -0.00079 0.00000 -0.00002 156 4YY 0.00088 -0.00040 0.00059 -0.00000 0.00002 157 4ZZ -0.00033 0.00000 -0.00025 -0.00000 -0.00000 158 4XY 0.00053 -0.00044 0.00026 0.00000 0.00002 159 4XZ -0.00000 0.00000 0.00000 -0.00117 -0.00000 160 4YZ -0.00000 0.00000 -0.00000 0.00064 -0.00000 161 16 C 1S 0.00149 -0.00115 0.00084 -0.00000 0.00002 162 2S -0.00309 0.00259 -0.00163 0.00000 -0.00007 163 2PX -0.02128 0.00370 -0.01602 0.00000 -0.00017 164 2PY -0.00485 -0.00101 -0.00486 -0.00000 0.00000 165 2PZ 0.00000 0.00000 -0.00000 0.02255 -0.00000 166 3S -0.00420 -0.00076 -0.00105 0.00000 -0.00007 167 3PX -0.00921 0.00083 -0.00583 0.00000 -0.00009 168 3PY -0.00280 0.00398 -0.00277 -0.00000 -0.00009 169 3PZ 0.00000 -0.00000 -0.00000 0.01560 0.00000 170 4XX 0.00002 -0.00008 0.00003 -0.00000 0.00002 171 4YY 0.00047 -0.00025 0.00021 0.00000 -0.00002 172 4ZZ 0.00005 0.00001 0.00003 0.00000 -0.00000 173 4XY -0.00023 0.00020 -0.00007 0.00000 0.00001 174 4XZ 0.00000 -0.00000 0.00000 0.00005 -0.00000 175 4YZ -0.00000 0.00000 -0.00000 -0.00037 0.00000 176 17 C 1S 0.00082 0.00166 0.00156 -0.00000 0.00014 177 2S -0.00039 -0.00341 -0.00233 0.00000 -0.00029 178 2PX -0.00160 0.00011 -0.00199 0.00000 -0.00056 179 2PY 0.01230 0.00485 0.01310 -0.00000 0.00064 180 2PZ -0.00000 -0.00000 -0.00000 0.01178 -0.00000 181 3S 0.00333 0.00830 -0.00281 0.00000 -0.00055 182 3PX 0.00160 0.00478 -0.00025 0.00000 -0.00034 183 3PY 0.00151 0.00017 0.00451 -0.00000 0.00031 184 3PZ -0.00000 0.00000 -0.00000 0.00926 -0.00000 185 4XX -0.00092 0.00052 -0.00062 0.00000 0.00004 186 4YY 0.00033 -0.00014 0.00032 -0.00000 -0.00002 187 4ZZ 0.00016 0.00001 0.00021 -0.00000 0.00001 188 4XY 0.00060 -0.00021 0.00050 -0.00000 -0.00000 189 4XZ -0.00000 0.00000 -0.00000 0.00012 0.00000 190 4YZ -0.00000 0.00000 -0.00000 0.00116 0.00000 191 18 C 1S 0.00885 -0.00372 0.00470 -0.00000 -0.00021 192 2S -0.01591 0.00796 -0.00729 0.00000 0.00041 193 2PX -0.01030 0.01848 -0.00279 0.00000 0.00116 194 2PY -0.01111 -0.00211 -0.01374 0.00000 -0.00060 195 2PZ 0.00000 0.00000 0.00000 -0.01435 0.00000 196 3S -0.02456 0.00210 -0.00801 0.00000 0.00122 197 3PX -0.00798 0.00730 -0.00557 0.00000 0.00062 198 3PY -0.00218 -0.01210 -0.00291 0.00000 -0.00021 199 3PZ 0.00000 0.00000 0.00000 -0.01044 0.00000 200 4XX 0.00011 0.00005 0.00001 -0.00000 0.00001 201 4YY 0.00064 -0.00063 0.00040 -0.00000 -0.00004 202 4ZZ 0.00048 -0.00020 0.00025 -0.00000 -0.00001 203 4XY -0.00095 0.00005 -0.00017 0.00000 0.00007 204 4XZ 0.00000 -0.00000 0.00000 -0.00129 -0.00000 205 4YZ -0.00000 0.00000 -0.00000 0.00056 0.00000 206 19 H 1S 0.00233 -0.00255 0.00362 -0.00000 0.00013 207 2S 0.00429 -0.00747 0.00271 -0.00000 -0.00001 208 20 H 1S -0.00205 0.00031 -0.00169 0.00000 0.00029 209 2S -0.00401 0.00357 -0.00255 0.00000 0.00034 210 21 H 1S 0.00378 -0.00169 0.00206 -0.00000 -0.00002 211 2S 0.00497 -0.00392 0.00260 -0.00000 -0.00003 212 22 H 1S 0.00728 -0.00223 0.00504 -0.00000 0.00015 213 2S 0.00475 -0.00160 0.00292 -0.00000 0.00016 214 23 H 1S -0.01710 0.01232 -0.00992 0.00000 -0.00010 215 2S -0.02291 0.01193 -0.01120 0.00000 -0.00024 216 24 C 1S 0.00492 -0.00178 0.00291 -0.00000 0.00016 217 2S -0.00679 0.00254 -0.00568 0.00000 -0.00055 218 2PX -0.02146 -0.01030 -0.01092 0.00000 -0.00053 219 2PY -0.01132 0.03067 -0.00116 0.00000 -0.00092 220 2PZ 0.00000 -0.00000 0.00000 -0.01848 0.00000 221 3S -0.03321 0.03180 -0.01447 0.00000 -0.00063 222 3PX -0.02860 0.02585 -0.00810 0.00000 0.00170 223 3PY -0.01611 0.00656 -0.00750 0.00000 -0.00111 224 3PZ 0.00000 -0.00000 0.00000 -0.01413 0.00000 225 4XX -0.00260 -0.00048 0.00118 -0.00000 0.00020 226 4YY 0.00222 0.00055 -0.00088 0.00000 -0.00011 227 4ZZ 0.00047 -0.00035 0.00016 -0.00000 -0.00002 228 4XY 0.00002 0.00173 -0.00242 0.00000 0.00003 229 4XZ -0.00000 -0.00000 0.00000 0.00140 -0.00000 230 4YZ -0.00000 -0.00000 0.00000 0.00076 0.00000 231 25 C 1S 0.00007 0.00152 -0.00113 0.00000 -0.00028 232 2S 0.00005 -0.00406 0.00445 -0.00000 0.00045 233 2PX 0.00444 0.00982 0.00821 -0.00000 0.00076 234 2PY 0.00310 0.01476 0.00062 0.00000 0.00016 235 2PZ -0.00000 -0.00000 0.00000 -0.01629 -0.00000 236 3S -0.01766 0.01386 0.00015 0.00000 0.00213 237 3PX -0.00717 0.01190 0.00513 -0.00000 0.00161 238 3PY 0.00373 0.00384 0.00896 0.00000 0.00036 239 3PZ -0.00000 -0.00000 0.00000 -0.01466 -0.00000 240 4XX 0.00011 0.00023 -0.00019 0.00000 0.00000 241 4YY 0.00015 0.00020 -0.00044 0.00000 -0.00002 242 4ZZ -0.00030 -0.00003 0.00006 0.00000 -0.00001 243 4XY -0.00109 0.00033 0.00064 -0.00000 -0.00001 244 4XZ 0.00000 -0.00000 -0.00000 -0.00084 0.00000 245 4YZ -0.00000 -0.00000 0.00000 -0.00031 0.00000 246 26 C 1S 0.00041 0.00025 0.00129 -0.00000 -0.00002 247 2S -0.00193 -0.00040 -0.00306 0.00000 0.00001 248 2PX 0.00267 -0.00320 -0.00037 0.00000 -0.00000 249 2PY -0.01101 -0.01920 0.00347 -0.00000 -0.00026 250 2PZ 0.00000 0.00000 -0.00000 0.00450 0.00000 251 3S 0.00134 -0.00939 0.00871 -0.00000 -0.00031 252 3PX 0.00532 -0.00687 0.00388 -0.00000 -0.00044 253 3PY -0.00469 -0.00134 0.00315 -0.00000 0.00033 254 3PZ 0.00000 0.00000 -0.00000 0.00465 -0.00000 255 4XX -0.00046 -0.00042 0.00047 -0.00000 0.00002 256 4YY 0.00044 0.00001 -0.00018 0.00000 -0.00002 257 4ZZ -0.00011 0.00016 0.00013 0.00000 0.00000 258 4XY 0.00035 -0.00025 -0.00002 0.00000 0.00001 259 4XZ -0.00000 0.00000 0.00000 0.00001 -0.00000 260 4YZ -0.00000 -0.00000 0.00000 -0.00101 0.00000 261 27 C 1S 0.00609 0.00339 -0.00359 0.00000 -0.00004 262 2S -0.01102 -0.00646 0.00730 -0.00000 0.00010 263 2PX -0.02910 -0.02529 0.01800 -0.00000 0.00032 264 2PY 0.00645 0.00945 -0.00391 -0.00000 0.00017 265 2PZ -0.00000 -0.00000 -0.00000 0.01658 -0.00000 266 3S -0.02231 0.00293 0.01106 -0.00000 0.00094 267 3PX -0.01605 -0.00902 0.00956 -0.00000 0.00025 268 3PY 0.00020 0.01386 -0.00449 -0.00000 0.00062 269 3PZ -0.00000 -0.00000 -0.00000 0.01265 -0.00000 270 4XX 0.00009 0.00015 -0.00023 0.00000 -0.00001 271 4YY 0.00089 0.00054 -0.00066 0.00000 -0.00001 272 4ZZ 0.00024 -0.00003 -0.00003 -0.00000 -0.00001 273 4XY 0.00098 0.00034 -0.00063 0.00000 -0.00003 274 4XZ -0.00000 -0.00000 0.00000 0.00030 0.00000 275 4YZ -0.00000 -0.00000 0.00000 0.00016 0.00000 276 28 C 1S -0.00900 -0.00785 0.00467 -0.00000 0.00010 277 2S 0.01613 0.01462 -0.01236 0.00000 -0.00022 278 2PX 0.03701 0.03483 -0.02189 0.00000 -0.00026 279 2PY 0.03165 0.02840 -0.01854 0.00000 -0.00018 280 2PZ -0.00000 -0.00000 0.00000 0.00922 0.00000 281 3S 0.03960 -0.01143 -0.02300 0.00000 -0.00257 282 3PX 0.01310 0.00496 -0.00781 0.00000 -0.00065 283 3PY 0.01640 -0.00356 -0.00857 0.00000 -0.00108 284 3PZ -0.00000 0.00000 0.00000 0.00221 0.00000 285 4XX -0.00311 -0.00158 0.00257 -0.00000 0.00007 286 4YY 0.00258 0.00074 -0.00176 0.00000 -0.00006 287 4ZZ -0.00074 -0.00032 0.00042 0.00000 0.00002 288 4XY -0.00088 0.00010 0.00125 -0.00000 0.00005 289 4XZ 0.00000 -0.00000 -0.00000 -0.00077 -0.00000 290 4YZ -0.00000 -0.00000 0.00000 -0.00042 0.00000 291 29 C 1S 0.00790 0.00026 -0.01270 0.00000 -0.00073 292 2S -0.01412 -0.00306 0.02270 -0.00000 0.00126 293 2PX -0.08458 -0.02747 0.07157 -0.00000 0.00240 294 2PY -0.02522 -0.04475 0.01038 -0.00000 -0.00018 295 2PZ 0.00000 0.00000 -0.00000 -0.00618 0.00000 296 3S -0.02529 0.00216 0.03276 -0.00000 0.00213 297 3PX -0.02945 -0.00994 0.03131 -0.00000 0.00113 298 3PY 0.01451 -0.04472 -0.00220 -0.00000 -0.00252 299 3PZ -0.00000 0.00000 0.00000 0.00397 0.00000 300 4XX -0.00444 -0.00128 0.00428 -0.00000 0.00019 301 4YY 0.00191 0.00146 -0.00230 0.00000 -0.00006 302 4ZZ 0.00070 0.00059 -0.00083 0.00000 -0.00003 303 4XY 0.00241 0.00112 -0.00210 0.00000 -0.00010 304 4XZ -0.00000 -0.00000 0.00000 0.00077 0.00000 305 4YZ -0.00000 -0.00000 0.00000 -0.00067 0.00000 306 30 H 1S -0.04657 -0.02772 0.04106 -0.00000 0.00065 307 2S -0.02646 -0.02411 0.02960 -0.00000 0.00029 308 31 H 1S 0.00670 0.00164 -0.00636 0.00000 -0.00029 309 2S 0.00573 -0.00287 -0.00598 0.00000 -0.00039 310 32 H 1S 0.00415 0.00209 -0.00309 0.00000 -0.00021 311 2S 0.00779 0.00659 -0.00726 0.00000 -0.00017 312 33 H 1S -0.00372 -0.00017 0.00086 -0.00000 0.00006 313 2S -0.00246 -0.00261 0.00340 -0.00000 0.00002 314 34 H 1S 0.00302 0.00113 -0.00229 0.00000 0.00003 315 2S 0.00322 0.00251 -0.00687 0.00000 0.00009 101 102 103 104 105 101 4YY 0.00171 102 4ZZ -0.00010 0.00094 103 4XY 0.00046 -0.00009 0.00129 104 4XZ -0.00000 0.00000 -0.00000 0.00067 105 4YZ -0.00000 -0.00000 -0.00000 -0.00024 0.00030 106 8 H 1S 0.01355 -0.00634 0.01120 -0.00000 -0.00000 107 2S 0.01121 -0.00182 0.01005 -0.00000 -0.00000 108 9 H 1S -0.00014 0.00082 -0.00953 0.00000 -0.00000 109 2S 0.00068 0.00133 -0.00857 0.00000 -0.00000 110 10 H 1S -0.00124 -0.00013 -0.00128 0.00000 0.00000 111 2S -0.00236 -0.00044 -0.00161 0.00000 0.00000 112 11 H 1S 0.00053 0.00001 0.00066 -0.00000 -0.00000 113 2S 0.00124 -0.00002 0.00193 -0.00000 -0.00000 114 12 H 1S -0.00430 0.00015 -0.00146 0.00000 0.00000 115 2S -0.00554 -0.00059 -0.00306 0.00000 0.00000 116 13 C 1S -0.00006 0.00010 -0.00002 0.00000 -0.00000 117 2S 0.00015 -0.00026 -0.00006 0.00000 0.00000 118 2PX 0.00030 -0.00033 -0.00003 -0.00000 -0.00000 119 2PY -0.00099 0.00047 -0.00009 -0.00000 0.00000 120 2PZ 0.00000 0.00000 -0.00000 0.00119 -0.00125 121 3S 0.00093 -0.00110 -0.00061 0.00000 -0.00000 122 3PX 0.00065 0.00003 -0.00023 0.00000 -0.00000 123 3PY -0.00042 0.00053 0.00035 -0.00000 0.00000 124 3PZ 0.00000 0.00000 -0.00000 0.00110 -0.00109 125 4XX -0.00010 0.00004 -0.00001 0.00000 0.00000 126 4YY 0.00008 -0.00002 0.00002 -0.00000 0.00000 127 4ZZ -0.00000 0.00000 -0.00001 -0.00000 0.00000 128 4XY 0.00010 -0.00001 0.00003 0.00000 -0.00000 129 4XZ -0.00000 -0.00000 0.00000 -0.00013 0.00009 130 4YZ 0.00000 0.00000 -0.00000 0.00018 -0.00012 131 14 C 1S -0.00025 -0.00001 -0.00014 0.00000 0.00000 132 2S 0.00057 -0.00002 0.00031 -0.00000 -0.00000 133 2PX 0.00108 0.00002 0.00068 -0.00000 -0.00000 134 2PY 0.00016 -0.00004 -0.00003 -0.00000 0.00000 135 2PZ 0.00000 0.00000 -0.00000 0.00157 -0.00129 136 3S 0.00094 -0.00030 0.00057 -0.00000 -0.00000 137 3PX 0.00065 -0.00003 0.00047 -0.00000 -0.00000 138 3PY 0.00035 -0.00005 0.00007 -0.00000 0.00000 139 3PZ 0.00000 0.00000 -0.00000 0.00069 -0.00057 140 4XX 0.00004 0.00002 0.00004 -0.00000 -0.00000 141 4YY -0.00000 -0.00002 -0.00002 0.00000 -0.00000 142 4ZZ 0.00000 0.00000 -0.00001 0.00000 -0.00000 143 4XY 0.00000 0.00001 0.00000 0.00000 -0.00000 144 4XZ -0.00000 -0.00000 0.00000 -0.00006 0.00005 145 4YZ -0.00000 -0.00000 0.00000 -0.00003 0.00003 146 15 C 1S 0.00002 0.00001 0.00004 -0.00000 -0.00000 147 2S -0.00006 -0.00005 -0.00010 0.00000 0.00000 148 2PX 0.00010 -0.00014 -0.00016 0.00000 -0.00000 149 2PY 0.00005 0.00002 0.00005 -0.00000 -0.00000 150 2PZ -0.00000 -0.00000 -0.00000 0.00005 0.00000 151 3S -0.00031 0.00004 -0.00018 0.00000 0.00000 152 3PX -0.00014 -0.00007 -0.00013 0.00000 0.00000 153 3PY 0.00016 -0.00001 0.00008 -0.00000 -0.00000 154 3PZ -0.00000 0.00000 -0.00000 0.00024 -0.00014 155 4XX 0.00003 0.00001 0.00003 -0.00000 -0.00000 156 4YY -0.00003 -0.00000 -0.00002 0.00000 -0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 158 4XY -0.00003 -0.00000 -0.00002 -0.00000 0.00000 159 4XZ 0.00000 0.00000 -0.00000 0.00008 -0.00007 160 4YZ -0.00000 -0.00000 0.00000 -0.00007 0.00005 161 16 C 1S -0.00002 -0.00001 -0.00003 0.00000 0.00000 162 2S 0.00007 0.00001 0.00007 -0.00000 -0.00000 163 2PX 0.00002 0.00010 0.00018 -0.00000 -0.00000 164 2PY -0.00001 0.00004 -0.00003 0.00000 -0.00000 165 2PZ -0.00000 -0.00000 0.00000 -0.00126 0.00105 166 3S 0.00014 0.00001 0.00004 -0.00000 -0.00000 167 3PX -0.00001 -0.00000 0.00003 -0.00000 0.00000 168 3PY -0.00002 0.00001 0.00005 0.00000 -0.00000 169 3PZ -0.00000 -0.00000 0.00000 -0.00105 0.00084 170 4XX -0.00002 -0.00000 -0.00001 0.00000 0.00000 171 4YY 0.00001 -0.00000 0.00000 -0.00000 0.00000 172 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 173 4XY 0.00001 -0.00000 0.00000 -0.00000 -0.00000 174 4XZ 0.00000 0.00000 -0.00000 0.00001 -0.00001 175 4YZ 0.00000 0.00000 -0.00000 0.00001 -0.00001 176 17 C 1S -0.00006 0.00002 -0.00002 0.00000 0.00000 177 2S 0.00013 -0.00003 0.00005 -0.00000 -0.00000 178 2PX 0.00021 0.00000 0.00027 -0.00000 -0.00000 179 2PY -0.00016 -0.00003 -0.00015 0.00000 -0.00000 180 2PZ -0.00000 -0.00000 0.00000 -0.00053 0.00053 181 3S 0.00041 -0.00006 0.00042 -0.00000 -0.00000 182 3PX 0.00014 -0.00007 0.00022 -0.00000 -0.00000 183 3PY -0.00026 -0.00005 -0.00021 0.00000 0.00000 184 3PZ -0.00000 -0.00000 0.00000 -0.00048 0.00047 185 4XX -0.00002 0.00001 -0.00000 0.00000 0.00000 186 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 187 4ZZ -0.00000 0.00000 -0.00001 0.00000 -0.00000 188 4XY 0.00001 -0.00001 -0.00001 0.00000 -0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00001 -0.00000 190 4YZ -0.00000 -0.00000 0.00000 -0.00008 0.00006 191 18 C 1S 0.00017 -0.00010 -0.00005 0.00000 -0.00000 192 2S -0.00029 0.00014 0.00006 -0.00000 0.00000 193 2PX -0.00041 0.00022 0.00004 0.00000 0.00000 194 2PY 0.00016 0.00007 0.00031 -0.00000 0.00000 195 2PZ 0.00000 0.00000 -0.00000 0.00128 -0.00096 196 3S -0.00047 0.00048 -0.00021 0.00000 0.00000 197 3PX 0.00002 0.00032 0.00025 -0.00000 -0.00000 198 3PY -0.00008 -0.00005 -0.00022 -0.00000 0.00000 199 3PZ 0.00000 0.00000 -0.00000 0.00113 -0.00083 200 4XX -0.00000 0.00000 -0.00001 0.00000 0.00000 201 4YY 0.00002 -0.00001 -0.00000 0.00000 -0.00000 202 4ZZ 0.00001 -0.00001 -0.00000 0.00000 -0.00000 203 4XY -0.00005 0.00001 -0.00001 -0.00000 0.00000 204 4XZ 0.00000 0.00000 -0.00000 0.00007 -0.00007 205 4YZ -0.00000 -0.00000 0.00000 -0.00002 0.00002 206 19 H 1S -0.00009 -0.00003 -0.00010 0.00000 0.00000 207 2S -0.00004 -0.00004 -0.00008 0.00000 0.00000 208 20 H 1S -0.00011 0.00002 -0.00010 0.00000 0.00000 209 2S -0.00016 0.00003 -0.00003 0.00000 0.00000 210 21 H 1S 0.00001 -0.00001 -0.00005 0.00000 -0.00000 211 2S -0.00003 -0.00002 -0.00008 0.00000 0.00000 212 22 H 1S -0.00005 -0.00005 -0.00011 0.00000 0.00000 213 2S -0.00015 -0.00004 -0.00013 0.00000 0.00000 214 23 H 1S -0.00000 0.00005 0.00016 -0.00000 -0.00000 215 2S 0.00035 0.00031 0.00012 -0.00000 -0.00000 216 24 C 1S -0.00039 -0.00012 -0.00039 0.00000 0.00000 217 2S 0.00098 0.00017 0.00089 -0.00000 -0.00000 218 2PX 0.00100 0.00041 0.00111 -0.00000 -0.00000 219 2PY 0.00094 0.00003 0.00095 -0.00000 -0.00000 220 2PZ 0.00000 0.00000 -0.00000 -0.00019 -0.00157 221 3S 0.00072 0.00072 0.00128 -0.00000 -0.00000 222 3PX -0.00191 0.00098 -0.00092 0.00000 0.00000 223 3PY 0.00117 -0.00018 0.00137 -0.00000 -0.00000 224 3PZ 0.00000 0.00000 -0.00000 0.00024 -0.00132 225 4XX -0.00027 0.00001 -0.00013 0.00000 0.00000 226 4YY 0.00017 -0.00001 0.00010 0.00000 -0.00000 227 4ZZ 0.00002 -0.00001 -0.00001 0.00000 -0.00000 228 4XY 0.00011 -0.00000 0.00006 0.00000 -0.00000 229 4XZ -0.00000 -0.00000 0.00000 -0.00012 0.00008 230 4YZ -0.00000 -0.00000 -0.00000 -0.00012 0.00013 231 25 C 1S 0.00035 0.00000 0.00024 -0.00000 -0.00000 232 2S -0.00065 -0.00007 -0.00049 0.00000 0.00000 233 2PX -0.00112 -0.00015 -0.00075 0.00000 0.00000 234 2PY -0.00017 0.00005 0.00017 -0.00000 0.00000 235 2PZ 0.00000 0.00000 -0.00000 0.00104 -0.00088 236 3S -0.00272 0.00051 -0.00160 0.00000 0.00000 237 3PX -0.00202 0.00031 -0.00123 0.00000 0.00000 238 3PY -0.00071 0.00002 -0.00040 -0.00000 0.00000 239 3PZ 0.00000 0.00000 -0.00000 0.00092 -0.00073 240 4XX 0.00001 0.00001 -0.00000 0.00000 -0.00000 241 4YY 0.00004 0.00000 0.00003 -0.00000 -0.00000 242 4ZZ 0.00001 0.00000 0.00001 -0.00000 0.00000 243 4XY -0.00003 0.00001 -0.00002 0.00000 0.00000 244 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00008 245 4YZ -0.00000 0.00000 -0.00000 -0.00001 -0.00003 246 26 C 1S 0.00004 -0.00001 -0.00003 0.00000 -0.00000 247 2S -0.00009 0.00003 0.00006 -0.00000 0.00000 248 2PX -0.00000 -0.00004 0.00008 -0.00000 0.00000 249 2PY 0.00021 0.00004 -0.00024 0.00000 -0.00000 250 2PZ -0.00000 -0.00000 0.00000 0.00022 0.00076 251 3S 0.00002 -0.00015 -0.00001 -0.00000 0.00000 252 3PX 0.00046 -0.00020 0.00023 -0.00000 -0.00000 253 3PY -0.00050 0.00015 -0.00041 0.00000 0.00000 254 3PZ -0.00000 -0.00000 0.00000 0.00010 0.00064 255 4XX -0.00004 -0.00000 -0.00003 0.00000 0.00000 256 4YY 0.00003 -0.00000 0.00002 -0.00000 0.00000 257 4ZZ -0.00001 0.00000 -0.00000 -0.00000 0.00000 258 4XY -0.00000 -0.00000 -0.00002 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00001 -0.00000 260 4YZ 0.00000 0.00000 -0.00000 0.00006 -0.00006 261 27 C 1S 0.00026 -0.00005 0.00011 -0.00000 -0.00000 262 2S -0.00054 0.00007 -0.00016 0.00000 0.00000 263 2PX -0.00113 0.00015 -0.00060 0.00000 0.00000 264 2PY -0.00011 -0.00005 0.00034 0.00000 -0.00000 265 2PZ -0.00000 -0.00000 0.00000 -0.00072 0.00113 266 3S -0.00194 0.00041 -0.00072 0.00000 0.00000 267 3PX -0.00082 0.00012 -0.00032 0.00000 0.00000 268 3PY -0.00067 0.00020 -0.00020 0.00000 0.00000 269 3PZ -0.00000 -0.00000 0.00000 -0.00058 0.00089 270 4XX 0.00003 0.00000 0.00000 -0.00000 -0.00000 271 4YY 0.00004 -0.00000 0.00001 -0.00000 -0.00000 272 4ZZ 0.00002 -0.00000 0.00001 -0.00000 -0.00000 273 4XY 0.00008 -0.00001 0.00002 -0.00000 -0.00000 274 4XZ -0.00000 0.00000 -0.00000 -0.00002 -0.00002 275 4YZ -0.00000 -0.00000 -0.00000 0.00001 0.00002 276 28 C 1S -0.00054 0.00003 -0.00017 0.00000 0.00000 277 2S 0.00095 -0.00010 0.00030 -0.00000 -0.00000 278 2PX 0.00130 -0.00017 0.00056 -0.00000 -0.00000 279 2PY 0.00133 -0.00024 0.00057 -0.00000 -0.00000 280 2PZ -0.00000 0.00000 -0.00000 -0.00054 -0.00025 281 3S 0.00469 -0.00094 0.00197 -0.00000 -0.00000 282 3PX 0.00114 -0.00025 0.00068 -0.00000 -0.00000 283 3PY 0.00197 -0.00042 0.00092 -0.00000 -0.00000 284 3PZ -0.00000 0.00000 -0.00000 -0.00035 -0.00024 285 4XX -0.00022 0.00002 -0.00008 0.00000 0.00000 286 4YY 0.00017 -0.00002 0.00008 -0.00000 -0.00000 287 4ZZ -0.00005 0.00001 -0.00002 -0.00000 0.00000 288 4XY -0.00012 0.00001 -0.00005 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00003 -0.00008 290 4YZ -0.00000 0.00000 -0.00000 0.00001 -0.00007 291 29 C 1S 0.00135 -0.00024 0.00032 -0.00000 -0.00000 292 2S -0.00276 0.00040 -0.00080 0.00000 0.00000 293 2PX -0.00690 0.00075 -0.00236 0.00000 0.00000 294 2PY -0.00033 0.00023 0.00001 -0.00000 0.00000 295 2PZ 0.00000 0.00000 -0.00000 0.00020 -0.00177 296 3S -0.00466 0.00070 -0.00197 0.00000 0.00000 297 3PX -0.00293 0.00043 -0.00153 0.00000 0.00000 298 3PY 0.00335 -0.00093 0.00182 -0.00000 -0.00000 299 3PZ -0.00000 0.00000 -0.00000 0.00019 -0.00100 300 4XX -0.00045 0.00005 -0.00018 0.00000 0.00000 301 4YY 0.00019 0.00001 0.00005 -0.00000 -0.00000 302 4ZZ 0.00008 0.00000 -0.00001 -0.00000 -0.00000 303 4XY 0.00023 -0.00006 0.00011 -0.00000 -0.00000 304 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00005 305 4YZ -0.00000 0.00000 -0.00000 0.00001 -0.00003 306 30 H 1S -0.00303 -0.00017 0.00014 -0.00000 0.00000 307 2S -0.00195 -0.00014 -0.00023 0.00000 0.00000 308 31 H 1S 0.00058 -0.00003 0.00024 -0.00000 -0.00000 309 2S 0.00075 -0.00007 0.00039 -0.00000 -0.00000 310 32 H 1S 0.00040 -0.00002 0.00002 -0.00000 -0.00000 311 2S 0.00055 -0.00002 0.00011 -0.00000 -0.00000 312 33 H 1S -0.00016 0.00002 -0.00011 0.00000 0.00000 313 2S -0.00014 -0.00005 -0.00012 0.00000 0.00000 314 34 H 1S 0.00014 0.00004 0.00020 -0.00000 -0.00000 315 2S 0.00035 0.00007 0.00030 -0.00000 -0.00000 106 107 108 109 110 106 8 H 1S 0.23200 107 2S 0.16096 0.14120 108 9 H 1S -0.02776 -0.02309 0.21552 109 2S -0.02772 -0.02433 0.15049 0.12096 110 10 H 1S -0.00922 -0.02412 -0.02074 -0.01790 0.21451 111 2S -0.01980 -0.03000 -0.01797 -0.01617 0.14513 112 11 H 1S 0.00243 0.00331 -0.01233 -0.02428 -0.02074 113 2S 0.00718 0.01200 -0.02428 -0.03489 -0.01790 114 12 H 1S -0.01525 -0.03683 0.00243 0.00718 -0.00922 115 2S -0.03683 -0.05898 0.00331 0.01200 -0.02412 116 13 C 1S 0.00002 0.00074 -0.00150 -0.00205 0.00018 117 2S -0.00025 -0.00166 0.00341 0.00435 -0.00048 118 2PX -0.00029 -0.00846 0.00350 0.00698 -0.00088 119 2PY -0.00288 -0.00767 -0.00439 -0.00403 0.00064 120 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 121 3S 0.00208 -0.00401 0.00210 0.00683 -0.00147 122 3PX 0.00671 0.00217 0.00197 0.00190 0.00280 123 3PY -0.00322 0.00034 0.00091 -0.00379 0.00053 124 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 125 4XX -0.00015 0.00017 -0.00054 -0.00066 0.00014 126 4YY 0.00020 -0.00005 0.00022 0.00034 -0.00016 127 4ZZ -0.00006 -0.00006 -0.00000 -0.00001 -0.00002 128 4XY 0.00032 0.00040 0.00024 0.00026 -0.00001 129 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 130 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 131 14 C 1S -0.00085 -0.00196 -0.00000 -0.00012 -0.00100 132 2S 0.00198 0.00397 0.00023 0.00048 0.00217 133 2PX 0.00495 0.00839 -0.00077 -0.00018 0.00525 134 2PY 0.00097 0.01083 -0.00073 -0.00388 0.00044 135 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 136 3S 0.00302 0.00322 -0.00372 -0.00246 0.00415 137 3PX 0.00142 0.00469 -0.00066 -0.00164 0.00163 138 3PY 0.00212 0.00560 -0.00057 -0.00396 0.00335 139 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 140 4XX 0.00026 0.00051 -0.00019 -0.00019 0.00027 141 4YY -0.00009 -0.00007 0.00009 0.00007 -0.00007 142 4ZZ 0.00004 0.00007 0.00002 -0.00005 -0.00002 143 4XY -0.00005 -0.00002 -0.00006 -0.00002 0.00029 144 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 145 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 146 15 C 1S 0.00012 -0.00103 -0.00002 0.00047 0.00033 147 2S -0.00026 0.00168 0.00003 -0.00088 -0.00058 148 2PX -0.00006 0.00741 0.00002 -0.00258 -0.00068 149 2PY 0.00025 -0.00263 -0.00036 0.00042 0.00100 150 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 151 3S -0.00135 0.00040 0.00128 0.00133 -0.00451 152 3PX -0.00152 0.00084 0.00005 0.00006 -0.00098 153 3PY 0.00129 0.00043 -0.00068 -0.00110 0.00245 154 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 155 4XX 0.00020 0.00022 -0.00002 0.00005 0.00022 156 4YY -0.00017 -0.00011 0.00003 -0.00002 -0.00017 157 4ZZ 0.00001 -0.00010 0.00001 0.00003 0.00004 158 4XY -0.00014 -0.00024 0.00002 0.00002 -0.00013 159 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 160 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 161 16 C 1S -0.00016 -0.00033 -0.00004 -0.00021 -0.00021 162 2S 0.00043 0.00091 0.00007 0.00040 0.00050 163 2PX 0.00057 -0.00555 -0.00005 0.00193 0.00084 164 2PY 0.00002 -0.00350 -0.00020 0.00020 -0.00017 165 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 166 3S 0.00069 0.00146 0.00019 0.00015 0.00217 167 3PX -0.00057 -0.00268 -0.00038 0.00071 0.00060 168 3PY -0.00037 -0.00140 -0.00021 0.00047 -0.00091 169 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 170 4XX -0.00008 -0.00013 -0.00004 -0.00007 -0.00003 171 4YY 0.00003 0.00003 0.00006 0.00006 -0.00002 172 4ZZ 0.00001 0.00002 0.00000 -0.00001 -0.00000 173 4XY 0.00004 0.00014 -0.00003 -0.00007 0.00009 174 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 175 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 176 17 C 1S -0.00015 0.00134 -0.00027 -0.00063 0.00003 177 2S 0.00036 -0.00235 0.00073 0.00143 0.00002 178 2PX 0.00072 0.00026 0.00097 0.00239 -0.00004 179 2PY -0.00049 0.00895 -0.00115 -0.00381 0.00052 180 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 181 3S 0.00150 0.00021 0.00107 0.00106 -0.00062 182 3PX -0.00011 0.00038 0.00012 0.00079 -0.00090 183 3PY -0.00195 0.00089 -0.00119 -0.00115 -0.00054 184 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 185 4XX -0.00004 -0.00011 -0.00011 -0.00016 0.00003 186 4YY 0.00000 0.00007 0.00003 0.00006 -0.00003 187 4ZZ -0.00000 0.00014 0.00001 -0.00003 0.00002 188 4XY -0.00001 0.00017 0.00005 0.00003 0.00000 189 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 190 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 191 18 C 1S 0.00007 0.00061 0.00061 0.00052 -0.00031 192 2S -0.00029 -0.00028 -0.00148 -0.00142 0.00055 193 2PX -0.00019 0.00702 -0.00291 -0.00574 0.00123 194 2PY 0.00066 -0.00724 0.00070 0.00302 -0.00038 195 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 196 3S 0.00233 0.00429 -0.00205 -0.00401 0.00378 197 3PX 0.00440 0.00608 -0.00162 -0.00400 0.00263 198 3PY -0.00040 -0.00511 -0.00058 0.00182 -0.00044 199 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 200 4XX 0.00004 0.00003 0.00007 -0.00001 0.00004 201 4YY 0.00000 -0.00007 0.00011 0.00020 -0.00005 202 4ZZ -0.00003 -0.00004 0.00002 0.00003 -0.00001 203 4XY -0.00016 -0.00005 -0.00025 -0.00027 -0.00001 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 206 19 H 1S -0.00052 0.00135 -0.00028 -0.00051 -0.00009 207 2S 0.00135 -0.00079 -0.00127 -0.00051 -0.00019 208 20 H 1S -0.00028 -0.00127 -0.00063 -0.00118 0.00012 209 2S -0.00051 -0.00051 -0.00118 -0.00170 -0.00003 210 21 H 1S -0.00009 -0.00019 0.00012 -0.00003 -0.00040 211 2S -0.00037 -0.00094 0.00027 0.00016 -0.00060 212 22 H 1S -0.00044 0.00087 -0.00001 -0.00069 -0.00048 213 2S -0.00117 -0.00100 0.00016 -0.00007 -0.00118 214 23 H 1S -0.00012 -0.00041 0.00027 0.00170 0.00109 215 2S 0.00396 0.00615 0.00200 0.00312 0.00383 216 24 C 1S 0.00037 -0.00350 0.00048 0.00056 0.00018 217 2S 0.00103 0.00759 -0.00135 -0.00153 -0.00048 218 2PX -0.00287 0.01600 -0.00176 -0.00269 -0.00088 219 2PY 0.00637 0.00234 -0.00004 -0.00021 -0.00064 220 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 221 3S -0.01561 0.00389 -0.00078 -0.00293 -0.00147 222 3PX -0.02774 -0.01438 0.00943 0.00395 0.00280 223 3PY 0.01486 0.01457 0.00014 -0.00015 -0.00053 224 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 225 4XX -0.00049 -0.00110 0.00004 0.00016 0.00014 226 4YY 0.00036 0.00076 -0.00002 -0.00016 -0.00016 227 4ZZ 0.00041 0.00012 -0.00004 0.00000 -0.00002 228 4XY 0.00102 0.00017 -0.00038 -0.00053 0.00001 229 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 230 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.00062 0.00354 -0.00020 -0.00043 -0.00031 232 2S -0.00074 -0.00605 0.00008 0.00075 0.00055 233 2PX -0.00072 -0.01269 0.00080 0.00165 0.00123 234 2PY -0.00055 0.00275 0.00021 -0.00071 0.00038 235 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 236 3S -0.01710 -0.02291 0.00728 0.00475 0.00378 237 3PX -0.01475 -0.01566 0.00548 0.00332 0.00263 238 3PY -0.00571 -0.00473 -0.00059 -0.00008 0.00044 239 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 240 4XX -0.00014 0.00011 0.00008 0.00003 0.00004 241 4YY 0.00005 -0.00000 0.00001 -0.00001 -0.00005 242 4ZZ 0.00005 0.00031 -0.00005 -0.00004 -0.00001 243 4XY -0.00013 -0.00036 0.00016 0.00022 0.00001 244 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 245 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00023 0.00278 -0.00009 -0.00031 0.00003 247 2S -0.00091 -0.00629 0.00040 0.00084 0.00002 248 2PX -0.00079 -0.00749 0.00023 0.00066 -0.00004 249 2PY 0.00046 0.00788 -0.00008 0.00040 -0.00052 250 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 251 3S 0.00235 -0.00122 -0.00082 0.00112 -0.00062 252 3PX 0.00474 0.00236 -0.00199 -0.00058 -0.00090 253 3PY -0.00709 -0.00218 0.00120 0.00058 0.00054 254 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 255 4XX 0.00010 0.00008 -0.00001 0.00006 0.00003 256 4YY 0.00007 0.00022 -0.00004 -0.00008 -0.00003 257 4ZZ -0.00007 0.00019 0.00003 -0.00001 0.00002 258 4XY -0.00007 -0.00020 -0.00005 -0.00005 -0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00118 -0.00109 -0.00037 -0.00067 -0.00021 262 2S -0.00167 0.00053 0.00067 0.00149 0.00050 263 2PX -0.00349 0.00610 0.00135 0.00328 0.00084 264 2PY 0.00052 -0.01074 0.00016 0.00057 0.00017 265 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 266 3S -0.01543 -0.00872 0.00376 0.00291 0.00217 267 3PX -0.00351 -0.00021 0.00125 0.00201 0.00060 268 3PY -0.01004 -0.01105 0.00121 -0.00011 0.00091 269 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 270 4XX 0.00006 0.00029 -0.00004 -0.00007 -0.00003 271 4YY 0.00003 -0.00037 -0.00003 -0.00009 -0.00002 272 4ZZ 0.00017 0.00014 -0.00003 -0.00003 -0.00000 273 4XY 0.00049 0.00053 -0.00012 -0.00020 -0.00009 274 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 275 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.00185 -0.00056 0.00054 0.00122 0.00033 277 2S 0.00205 -0.00258 -0.00107 -0.00208 -0.00058 278 2PX 0.00194 -0.01110 -0.00132 -0.00381 -0.00068 279 2PY 0.00725 -0.00449 -0.00160 -0.00367 -0.00100 280 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.04474 0.02744 -0.00576 -0.00362 -0.00451 282 3PX 0.01136 0.00345 -0.00114 -0.00125 -0.00098 283 3PY 0.02154 0.01210 -0.00202 -0.00119 -0.00245 284 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 285 4XX -0.00068 -0.00025 0.00025 0.00045 0.00022 286 4YY 0.00088 0.00038 -0.00020 -0.00032 -0.00017 287 4ZZ -0.00035 0.00002 0.00003 0.00004 0.00004 288 4XY -0.00043 -0.00027 0.00019 0.00019 0.00013 289 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 290 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00757 0.00166 -0.00176 -0.00139 -0.00100 292 2S -0.01770 -0.01192 0.00373 0.00357 0.00217 293 2PX -0.02909 -0.01652 0.00848 0.01253 0.00525 294 2PY -0.00388 0.01616 0.00033 0.00198 -0.00044 295 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 296 3S -0.04657 -0.02646 0.00670 0.00573 0.00415 297 3PX -0.02170 -0.01358 0.00469 0.00661 0.00163 298 3PY 0.04454 0.03568 -0.00460 -0.00050 -0.00335 299 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 300 4XX -0.00201 -0.00157 0.00055 0.00075 0.00027 301 4YY -0.00037 -0.00010 -0.00025 -0.00040 -0.00007 302 4ZZ -0.00017 -0.00014 -0.00003 -0.00007 -0.00002 303 4XY 0.00191 0.00100 -0.00031 -0.00038 -0.00029 304 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.01395 0.01232 0.00108 0.00417 0.00109 307 2S 0.01232 0.00394 -0.00013 0.00332 0.00384 308 31 H 1S 0.00108 -0.00013 -0.00070 -0.00087 -0.00048 309 2S 0.00417 0.00332 -0.00087 -0.00085 -0.00118 310 32 H 1S 0.00109 0.00383 -0.00048 -0.00118 -0.00040 311 2S 0.00075 0.00154 -0.00066 -0.00178 -0.00060 312 33 H 1S 0.00027 0.00200 -0.00001 0.00016 0.00012 313 2S 0.00170 0.00312 -0.00069 -0.00007 -0.00003 314 34 H 1S -0.00012 0.00396 -0.00044 -0.00117 -0.00009 315 2S -0.00041 0.00615 0.00087 -0.00100 -0.00019 111 112 113 114 115 111 2S 0.11572 112 11 H 1S -0.01797 0.21552 113 2S -0.01617 0.15049 0.12096 114 12 H 1S -0.01980 -0.02776 -0.02772 0.23200 115 2S -0.03000 -0.02309 -0.02433 0.16096 0.14120 116 13 C 1S 0.00051 0.00048 0.00056 0.00037 -0.00350 117 2S -0.00119 -0.00135 -0.00153 0.00103 0.00759 118 2PX -0.00342 -0.00176 -0.00269 -0.00287 0.01600 119 2PY -0.00105 0.00004 0.00021 -0.00637 -0.00234 120 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 121 3S -0.00105 -0.00078 -0.00293 -0.01562 0.00389 122 3PX 0.00306 0.00943 0.00395 -0.02774 -0.01438 123 3PY 0.00243 -0.00014 0.00015 -0.01486 -0.01457 124 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 125 4XX 0.00028 0.00004 0.00016 -0.00049 -0.00110 126 4YY -0.00023 -0.00002 -0.00016 0.00036 0.00076 127 4ZZ -0.00006 -0.00004 0.00000 0.00041 0.00012 128 4XY -0.00006 0.00038 0.00053 -0.00102 -0.00017 129 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 131 14 C 1S -0.00147 -0.00176 -0.00139 0.00757 0.00166 132 2S 0.00306 0.00373 0.00357 -0.01770 -0.01192 133 2PX 0.00693 0.00848 0.01253 -0.02909 -0.01652 134 2PY 0.00415 -0.00033 -0.00198 0.00388 -0.01616 135 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 136 3S 0.00779 0.00670 0.00573 -0.04657 -0.02646 137 3PX 0.00299 0.00469 0.00661 -0.02170 -0.01358 138 3PY 0.00933 0.00460 0.00050 -0.04454 -0.03568 139 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 140 4XX 0.00046 0.00055 0.00075 -0.00201 -0.00157 141 4YY -0.00007 -0.00025 -0.00040 -0.00037 -0.00010 142 4ZZ -0.00002 -0.00003 -0.00007 -0.00017 -0.00014 143 4XY 0.00030 0.00031 0.00038 -0.00191 -0.00100 144 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S -0.00001 0.00054 0.00122 -0.00185 -0.00056 147 2S 0.00019 -0.00107 -0.00208 0.00205 -0.00258 148 2PX 0.00125 -0.00132 -0.00381 0.00194 -0.01110 149 2PY -0.00050 0.00160 0.00367 -0.00725 0.00449 150 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 151 3S -0.00865 -0.00576 -0.00362 0.04474 0.02744 152 3PX -0.00120 -0.00114 -0.00125 0.01136 0.00345 153 3PY 0.00411 0.00202 0.00119 -0.02154 -0.01210 154 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 155 4XX 0.00020 0.00025 0.00045 -0.00068 -0.00025 156 4YY -0.00022 -0.00020 -0.00032 0.00088 0.00038 157 4ZZ 0.00005 0.00003 0.00004 -0.00035 0.00002 158 4XY -0.00018 -0.00019 -0.00019 0.00043 0.00027 159 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 160 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 161 16 C 1S -0.00004 -0.00037 -0.00067 0.00118 -0.00109 162 2S 0.00021 0.00067 0.00149 -0.00167 0.00053 163 2PX -0.00038 0.00135 0.00328 -0.00349 0.00610 164 2PY -0.00112 -0.00016 -0.00057 -0.00052 0.01074 165 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 166 3S 0.00337 0.00376 0.00291 -0.01543 -0.00872 167 3PX 0.00051 0.00125 0.00201 -0.00351 -0.00021 168 3PY -0.00243 -0.00121 0.00011 0.01004 0.01105 169 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 170 4XX -0.00001 -0.00004 -0.00007 0.00006 0.00029 171 4YY -0.00002 -0.00003 -0.00009 0.00003 -0.00037 172 4ZZ -0.00002 -0.00003 -0.00003 0.00017 0.00014 173 4XY 0.00011 0.00012 0.00020 -0.00049 -0.00053 174 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 176 17 C 1S 0.00004 -0.00009 -0.00031 0.00023 0.00278 177 2S -0.00005 0.00040 0.00084 -0.00091 -0.00629 178 2PX -0.00030 0.00023 0.00066 -0.00079 -0.00749 179 2PY 0.00228 0.00008 -0.00040 -0.00046 -0.00788 180 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 181 3S -0.00064 -0.00082 0.00112 0.00235 -0.00122 182 3PX -0.00116 -0.00199 -0.00058 0.00474 0.00236 183 3PY -0.00074 -0.00120 -0.00058 0.00709 0.00218 184 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 185 4XX 0.00005 -0.00001 0.00006 0.00010 0.00008 186 4YY -0.00006 -0.00004 -0.00008 0.00007 0.00022 187 4ZZ 0.00002 0.00003 -0.00001 -0.00007 0.00019 188 4XY -0.00001 0.00005 0.00005 0.00007 0.00020 189 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 190 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 191 18 C 1S -0.00046 -0.00020 -0.00043 0.00062 0.00354 192 2S 0.00093 0.00008 0.00075 -0.00074 -0.00605 193 2PX 0.00346 0.00080 0.00165 -0.00072 -0.01269 194 2PY -0.00150 -0.00021 0.00071 0.00055 -0.00275 195 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 196 3S 0.00497 0.00728 0.00475 -0.01710 -0.02291 197 3PX 0.00421 0.00548 0.00332 -0.01475 -0.01566 198 3PY -0.00210 0.00059 0.00008 0.00571 0.00473 199 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 200 4XX 0.00003 0.00008 0.00003 -0.00014 0.00011 201 4YY -0.00009 0.00001 -0.00001 0.00005 -0.00000 202 4ZZ -0.00002 -0.00005 -0.00004 0.00005 0.00031 203 4XY -0.00004 -0.00016 -0.00022 0.00013 0.00036 204 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 205 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 206 19 H 1S -0.00037 -0.00044 -0.00117 -0.00012 0.00396 207 2S -0.00094 0.00087 -0.00100 -0.00041 0.00615 208 20 H 1S 0.00027 -0.00001 0.00016 0.00027 0.00200 209 2S 0.00016 -0.00069 -0.00007 0.00170 0.00312 210 21 H 1S -0.00060 -0.00048 -0.00118 0.00109 0.00384 211 2S -0.00044 -0.00066 -0.00178 0.00075 0.00154 212 22 H 1S -0.00066 -0.00070 -0.00087 0.00108 -0.00013 213 2S -0.00178 -0.00087 -0.00085 0.00417 0.00332 214 23 H 1S 0.00075 0.00108 0.00417 0.01395 0.01232 215 2S 0.00154 -0.00013 0.00332 0.01232 0.00394 216 24 C 1S 0.00051 -0.00150 -0.00205 0.00002 0.00074 217 2S -0.00119 0.00341 0.00435 -0.00025 -0.00166 218 2PX -0.00342 0.00350 0.00698 -0.00029 -0.00846 219 2PY 0.00105 0.00439 0.00403 0.00288 0.00767 220 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 221 3S -0.00105 0.00210 0.00683 0.00208 -0.00401 222 3PX 0.00306 0.00197 0.00190 0.00671 0.00217 223 3PY -0.00243 -0.00091 0.00379 0.00322 -0.00034 224 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 225 4XX 0.00028 -0.00054 -0.00066 -0.00015 0.00017 226 4YY -0.00023 0.00022 0.00034 0.00020 -0.00005 227 4ZZ -0.00006 -0.00000 -0.00001 -0.00006 -0.00006 228 4XY 0.00006 -0.00024 -0.00026 -0.00032 -0.00040 229 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 231 25 C 1S -0.00046 0.00061 0.00052 0.00007 0.00061 232 2S 0.00093 -0.00148 -0.00142 -0.00029 -0.00028 233 2PX 0.00346 -0.00291 -0.00574 -0.00019 0.00702 234 2PY 0.00150 -0.00070 -0.00302 -0.00066 0.00724 235 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 236 3S 0.00497 -0.00205 -0.00401 0.00233 0.00429 237 3PX 0.00421 -0.00162 -0.00400 0.00441 0.00608 238 3PY 0.00210 0.00058 -0.00182 0.00040 0.00511 239 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 240 4XX 0.00003 0.00007 -0.00001 0.00004 0.00003 241 4YY -0.00009 0.00011 0.00020 0.00000 -0.00007 242 4ZZ -0.00002 0.00002 0.00003 -0.00003 -0.00004 243 4XY 0.00004 0.00025 0.00027 0.00016 0.00005 244 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 246 26 C 1S 0.00004 -0.00027 -0.00063 -0.00015 0.00134 247 2S -0.00005 0.00073 0.00143 0.00036 -0.00234 248 2PX -0.00030 0.00097 0.00239 0.00072 0.00026 249 2PY -0.00228 0.00115 0.00381 0.00049 -0.00895 250 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 251 3S -0.00064 0.00107 0.00106 0.00150 0.00021 252 3PX -0.00116 0.00012 0.00079 -0.00011 0.00038 253 3PY 0.00074 0.00119 0.00115 0.00195 -0.00089 254 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 255 4XX 0.00005 -0.00011 -0.00016 -0.00004 -0.00011 256 4YY -0.00006 0.00003 0.00006 0.00000 0.00007 257 4ZZ 0.00002 0.00001 -0.00003 -0.00000 0.00014 258 4XY 0.00001 -0.00005 -0.00003 0.00001 -0.00017 259 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 260 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 261 27 C 1S -0.00004 -0.00004 -0.00021 -0.00016 -0.00033 262 2S 0.00021 0.00007 0.00040 0.00043 0.00091 263 2PX -0.00038 -0.00005 0.00193 0.00057 -0.00555 264 2PY 0.00112 0.00020 -0.00020 -0.00002 0.00350 265 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 266 3S 0.00337 0.00019 0.00015 0.00069 0.00146 267 3PX 0.00051 -0.00038 0.00071 -0.00057 -0.00268 268 3PY 0.00243 0.00021 -0.00047 0.00037 0.00140 269 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 270 4XX -0.00001 -0.00004 -0.00007 -0.00008 -0.00013 271 4YY -0.00002 0.00006 0.00006 0.00003 0.00003 272 4ZZ -0.00002 0.00000 -0.00001 0.00001 0.00002 273 4XY -0.00011 0.00003 0.00007 -0.00004 -0.00014 274 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 275 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 276 28 C 1S -0.00001 -0.00002 0.00047 0.00012 -0.00103 277 2S 0.00019 0.00003 -0.00088 -0.00026 0.00168 278 2PX 0.00125 0.00002 -0.00258 -0.00006 0.00741 279 2PY 0.00050 0.00036 -0.00042 -0.00025 0.00263 280 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 281 3S -0.00865 0.00128 0.00133 -0.00136 0.00040 282 3PX -0.00120 0.00005 0.00006 -0.00152 0.00084 283 3PY -0.00411 0.00068 0.00110 -0.00129 -0.00043 284 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 285 4XX 0.00020 -0.00002 0.00005 0.00020 0.00022 286 4YY -0.00022 0.00003 -0.00002 -0.00017 -0.00011 287 4ZZ 0.00005 0.00001 0.00003 0.00001 -0.00010 288 4XY 0.00018 -0.00002 -0.00002 0.00014 0.00024 289 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 290 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 291 29 C 1S -0.00147 -0.00000 -0.00012 -0.00085 -0.00196 292 2S 0.00306 0.00023 0.00048 0.00198 0.00397 293 2PX 0.00693 -0.00077 -0.00018 0.00495 0.00839 294 2PY -0.00415 0.00073 0.00388 -0.00097 -0.01083 295 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 296 3S 0.00779 -0.00372 -0.00246 0.00302 0.00322 297 3PX 0.00299 -0.00066 -0.00164 0.00142 0.00469 298 3PY -0.00933 0.00057 0.00396 -0.00212 -0.00560 299 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 300 4XX 0.00046 -0.00019 -0.00019 0.00026 0.00051 301 4YY -0.00007 0.00009 0.00007 -0.00009 -0.00007 302 4ZZ -0.00002 0.00002 -0.00005 0.00004 0.00007 303 4XY -0.00030 0.00006 0.00002 0.00005 0.00002 304 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 305 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 306 30 H 1S 0.00075 0.00027 0.00170 -0.00012 -0.00041 307 2S 0.00154 0.00200 0.00312 0.00396 0.00615 308 31 H 1S -0.00066 -0.00001 -0.00069 -0.00044 0.00087 309 2S -0.00178 0.00016 -0.00007 -0.00117 -0.00100 310 32 H 1S -0.00060 0.00012 -0.00003 -0.00009 -0.00019 311 2S -0.00044 0.00027 0.00016 -0.00037 -0.00094 312 33 H 1S 0.00027 -0.00063 -0.00118 -0.00028 -0.00127 313 2S 0.00016 -0.00118 -0.00170 -0.00051 -0.00051 314 34 H 1S -0.00037 -0.00028 -0.00051 -0.00052 0.00135 315 2S -0.00094 -0.00127 -0.00051 0.00135 -0.00079 116 117 118 119 120 116 13 C 1S 2.05001 117 2S -0.06214 0.33248 118 2PX 0.00304 -0.00806 0.41741 119 2PY -0.00526 0.01396 0.01947 0.39494 120 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.35424 121 3S -0.17476 0.27513 0.01911 -0.03310 0.00000 122 3PX -0.00746 0.02022 0.08655 0.00970 -0.00000 123 3PY 0.01292 -0.03502 0.00970 0.07535 -0.00000 124 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.22567 125 4XX -0.01700 -0.00284 -0.01465 -0.00306 0.00000 126 4YY -0.01815 -0.00059 0.01556 0.00148 -0.00000 127 4ZZ -0.01101 -0.01548 0.00029 -0.00051 -0.00000 128 4XY 0.00115 -0.00226 0.00262 0.01442 -0.00000 129 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00159 130 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00275 131 14 C 1S 0.01605 -0.03312 -0.03926 -0.06885 0.00000 132 2S -0.03148 0.05800 0.08296 0.13564 -0.00000 133 2PX 0.03015 -0.06221 -0.05210 -0.11973 0.00000 134 2PY 0.06900 -0.14517 -0.15145 -0.24709 0.00000 135 2PZ -0.00000 0.00000 0.00000 0.00000 0.18508 136 3S -0.00739 0.03874 0.09237 0.18173 -0.00000 137 3PX 0.00637 -0.02452 0.01981 -0.04257 0.00000 138 3PY 0.00475 -0.02313 -0.06429 -0.07490 -0.00000 139 3PZ -0.00000 0.00000 0.00000 -0.00000 0.11622 140 4XX 0.00069 -0.00265 -0.01228 -0.00410 0.00000 141 4YY -0.00465 0.00790 0.00818 0.00175 0.00000 142 4ZZ 0.00193 -0.00438 -0.00256 -0.00627 0.00000 143 4XY -0.00416 0.00822 -0.00467 0.00920 -0.00000 144 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00464 145 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.01193 146 15 C 1S -0.00322 0.00795 0.00247 0.01312 -0.00000 147 2S 0.00750 -0.01618 -0.00642 -0.03018 0.00000 148 2PX 0.00250 -0.00936 0.00465 -0.00749 0.00000 149 2PY -0.01773 0.04025 0.01328 0.05338 -0.00000 150 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.02015 151 3S 0.00307 -0.01588 0.02509 -0.04936 0.00000 152 3PX 0.00800 -0.01117 0.00013 -0.02070 0.00000 153 3PY -0.00560 0.01812 -0.01202 0.03358 -0.00000 154 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.02748 155 4XX 0.00093 -0.00160 -0.00264 -0.00409 0.00000 156 4YY -0.00146 0.00314 0.00408 0.00824 -0.00000 157 4ZZ -0.00010 0.00045 0.00030 0.00042 0.00000 158 4XY -0.00101 0.00229 0.00282 0.00346 -0.00000 159 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00704 160 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00632 161 16 C 1S -0.00276 0.00434 -0.00332 0.00576 -0.00000 162 2S 0.00472 -0.00853 0.00714 -0.01237 0.00000 163 2PX 0.00337 -0.00496 -0.01808 -0.02319 0.00000 164 2PY -0.00584 0.00859 -0.02319 0.00870 0.00000 165 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.11499 166 3S 0.01892 -0.02455 0.01242 -0.02152 0.00000 167 3PX 0.00422 -0.00488 -0.01508 -0.01159 0.00000 168 3PY -0.00731 0.00845 -0.01160 -0.00169 0.00000 169 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.08684 170 4XX -0.00030 0.00064 -0.00188 -0.00049 0.00000 171 4YY 0.00032 -0.00093 0.00194 0.00037 -0.00000 172 4ZZ -0.00037 0.00050 -0.00018 0.00031 -0.00000 173 4XY -0.00062 0.00157 0.00050 0.00163 -0.00000 174 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00009 175 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00015 176 17 C 1S -0.00322 0.00795 -0.01260 0.00442 -0.00000 177 2S 0.00750 -0.01618 0.02934 -0.00953 0.00000 178 2PX 0.01411 -0.03018 0.04371 -0.00927 0.00000 179 2PY -0.01103 0.02823 -0.03004 0.01433 -0.00000 180 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.02015 181 3S 0.00307 -0.01588 0.03020 -0.04641 0.00000 182 3PX 0.00085 -0.01011 0.01105 -0.01833 0.00000 183 3PY -0.00973 0.01873 -0.02701 0.02266 -0.00000 184 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.02748 185 4XX -0.00162 0.00367 -0.00897 -0.00003 -0.00000 186 4YY 0.00109 -0.00213 0.00466 0.00086 0.00000 187 4ZZ -0.00010 0.00045 -0.00052 -0.00005 0.00000 188 4XY 0.00069 -0.00123 0.00482 -0.00052 -0.00000 189 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00195 190 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00926 191 18 C 1S 0.01605 -0.03312 0.07925 -0.00042 0.00000 192 2S -0.03148 0.05800 -0.15895 -0.00402 -0.00000 193 2PX -0.07483 0.15682 -0.31577 0.00078 -0.00000 194 2PY 0.00839 -0.01871 0.03250 0.01658 -0.00000 195 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.18508 196 3S -0.00739 0.03873 -0.20357 0.01087 -0.00000 197 3PX -0.00729 0.03229 -0.09749 0.00343 -0.00000 198 3PY -0.00314 0.00967 0.02515 0.04240 -0.00000 199 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.11622 200 4XX -0.00643 0.01143 -0.00601 0.00397 -0.00000 201 4YY 0.00248 -0.00617 0.01009 -0.00160 0.00000 202 4ZZ 0.00193 -0.00438 0.00671 -0.00092 0.00000 203 4XY 0.00059 -0.00116 0.00483 0.01172 -0.00000 204 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.01265 205 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00195 206 19 H 1S 0.01095 -0.02470 0.05327 0.01488 -0.00000 207 2S 0.01379 -0.02540 0.10941 0.05838 -0.00000 208 20 H 1S -0.00861 0.01797 -0.03483 0.00066 -0.00000 209 2S -0.01127 0.02213 -0.05655 -0.00194 -0.00000 210 21 H 1S 0.00017 -0.00246 -0.00120 0.00207 -0.00000 211 2S 0.00234 -0.00585 0.00005 -0.00009 0.00000 212 22 H 1S -0.00861 0.01797 0.01684 0.03049 -0.00000 213 2S -0.01127 0.02213 0.02996 0.04800 -0.00000 214 23 H 1S 0.01095 -0.02470 -0.03952 -0.03869 0.00000 215 2S 0.01379 -0.02540 -0.10526 -0.06557 0.00000 216 24 C 1S -0.00394 0.00825 0.00102 -0.01552 0.00000 217 2S 0.00825 -0.01716 -0.00382 0.03282 -0.00000 218 2PX 0.00102 -0.00382 -0.00805 0.01359 -0.00000 219 2PY 0.01552 -0.03282 -0.01359 0.05892 -0.00000 220 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.02884 221 3S 0.01315 -0.02899 0.03130 0.09471 -0.00000 222 3PX 0.00573 -0.01078 -0.00171 0.03902 -0.00000 223 3PY 0.00332 -0.00613 0.04397 0.03193 -0.00000 224 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.03023 225 4XX 0.00087 -0.00152 -0.00185 0.00360 -0.00000 226 4YY -0.00152 0.00290 0.00304 -0.00605 -0.00000 227 4ZZ -0.00034 0.00067 -0.00003 -0.00071 -0.00000 228 4XY 0.00104 -0.00223 -0.00036 0.00385 -0.00000 229 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00221 230 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00562 231 25 C 1S -0.00092 0.00163 0.00241 -0.00357 0.00000 232 2S 0.00179 -0.00324 -0.00597 0.00674 -0.00000 233 2PX 0.00513 -0.00960 0.00443 0.01573 -0.00000 234 2PY 0.00130 0.00138 -0.00569 0.00342 0.00000 235 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.03939 236 3S 0.00492 -0.00679 0.00093 0.02425 -0.00000 237 3PX 0.00341 -0.00618 -0.01199 0.01190 -0.00000 238 3PY 0.00009 0.00064 -0.02969 0.00053 0.00000 239 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.01848 240 4XX 0.00004 -0.00007 -0.00010 0.00031 -0.00000 241 4YY -0.00027 0.00050 -0.00011 -0.00072 -0.00000 242 4ZZ -0.00012 0.00017 -0.00018 -0.00037 -0.00000 243 4XY 0.00047 -0.00121 -0.00056 0.00184 -0.00000 244 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00127 245 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00095 246 26 C 1S 0.00022 0.00013 0.00025 0.00027 -0.00000 247 2S -0.00029 -0.00031 0.00094 -0.00027 0.00000 248 2PX -0.00055 0.00069 -0.00022 -0.00133 0.00000 249 2PY -0.00057 -0.00225 -0.00187 0.00069 -0.00000 250 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00029 251 3S -0.00082 -0.00087 -0.02692 -0.00287 0.00000 252 3PX -0.00115 0.00121 -0.00861 -0.00231 0.00000 253 3PY 0.00083 -0.00243 -0.00932 0.00442 -0.00000 254 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00418 255 4XX 0.00014 -0.00035 0.00028 0.00037 -0.00000 256 4YY -0.00012 0.00034 -0.00056 -0.00048 0.00000 257 4ZZ 0.00005 -0.00005 0.00018 0.00012 0.00000 258 4XY 0.00004 -0.00017 -0.00005 0.00015 0.00000 259 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00051 260 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00260 261 27 C 1S -0.00009 -0.00006 0.00001 -0.00022 0.00000 262 2S 0.00005 0.00018 -0.00097 0.00026 -0.00000 263 2PX 0.00035 -0.00271 0.00034 0.00216 -0.00000 264 2PY 0.00004 0.00130 -0.00028 -0.00080 -0.00000 265 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.03204 266 3S 0.00128 -0.00041 0.00937 0.00109 -0.00000 267 3PX 0.00022 -0.00096 0.00743 -0.00117 0.00000 268 3PY 0.00042 0.00039 0.00676 0.00214 -0.00000 269 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.02640 270 4XX 0.00005 -0.00011 -0.00002 0.00011 -0.00000 271 4YY 0.00000 -0.00001 0.00011 0.00001 0.00000 272 4ZZ -0.00003 0.00002 -0.00015 -0.00004 0.00000 273 4XY 0.00010 -0.00026 -0.00026 0.00037 -0.00000 274 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00036 275 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00004 276 28 C 1S -0.00075 0.00143 0.00146 -0.00307 0.00000 277 2S 0.00161 -0.00313 -0.00209 0.00684 -0.00000 278 2PX 0.00113 -0.00066 -0.00207 0.00474 -0.00000 279 2PY 0.00352 -0.00664 -0.00665 0.01239 -0.00000 280 2PZ -0.00000 0.00000 0.00000 -0.00000 0.01235 281 3S 0.00287 -0.00614 -0.02325 0.00639 -0.00000 282 3PX 0.00084 -0.00039 0.00389 -0.00266 0.00000 283 3PY 0.00234 -0.00499 -0.01280 0.00620 -0.00000 284 3PZ -0.00000 0.00000 0.00000 -0.00000 0.01179 285 4XX 0.00007 -0.00017 -0.00001 0.00042 -0.00000 286 4YY -0.00022 0.00053 0.00000 -0.00119 0.00000 287 4ZZ -0.00004 0.00009 0.00021 -0.00015 0.00000 288 4XY 0.00018 -0.00038 -0.00027 0.00057 0.00000 289 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00175 290 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00126 291 29 C 1S 0.00215 -0.00476 -0.00235 0.00880 -0.00000 292 2S -0.00464 0.00991 0.00385 -0.01792 0.00000 293 2PX 0.00213 -0.00489 0.00078 0.01009 -0.00000 294 2PY -0.00940 0.01840 0.01122 -0.03391 0.00000 295 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.03356 296 3S -0.01168 0.02533 0.03542 -0.04852 0.00000 297 3PX 0.00226 -0.00532 -0.01990 0.00535 -0.00000 298 3PY -0.00531 0.01162 0.00722 -0.03454 0.00000 299 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.02942 300 4XX 0.00004 -0.00014 0.00043 -0.00006 0.00000 301 4YY 0.00030 -0.00054 -0.00038 0.00137 0.00000 302 4ZZ 0.00010 -0.00026 -0.00024 0.00052 0.00000 303 4XY 0.00022 -0.00052 -0.00064 0.00140 -0.00000 304 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00048 305 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00166 306 30 H 1S 0.00002 -0.00025 0.00264 -0.00119 0.00000 307 2S 0.00074 -0.00166 0.01087 0.00349 -0.00000 308 31 H 1S -0.00150 0.00341 0.00205 -0.00523 0.00000 309 2S -0.00205 0.00435 0.00000 -0.00805 0.00000 310 32 H 1S 0.00018 -0.00048 -0.00012 0.00108 -0.00000 311 2S 0.00051 -0.00119 0.00262 0.00243 -0.00000 312 33 H 1S 0.00048 -0.00135 0.00085 0.00154 -0.00000 313 2S 0.00056 -0.00153 0.00116 0.00244 -0.00000 314 34 H 1S 0.00037 0.00103 0.00695 -0.00070 0.00000 315 2S -0.00350 0.00759 -0.00597 -0.01503 0.00000 121 122 123 124 125 121 3S 0.32445 122 3PX 0.03672 0.05421 123 3PY -0.06360 0.00204 0.05185 124 3PZ 0.00000 0.00000 -0.00000 0.14580 125 4XX -0.00342 -0.00274 -0.00014 -0.00000 0.00124 126 4YY 0.00045 0.00237 0.00077 -0.00000 -0.00077 127 4ZZ -0.01158 -0.00084 0.00146 -0.00000 0.00023 128 4XY -0.00387 0.00053 0.00234 -0.00000 -0.00005 129 4XZ 0.00000 -0.00000 -0.00000 -0.00105 0.00000 130 4YZ 0.00000 -0.00000 -0.00000 0.00182 0.00000 131 14 C 1S 0.01064 -0.00533 -0.00559 0.00000 0.00124 132 2S 0.00232 0.00666 0.03003 -0.00000 -0.00395 133 2PX -0.05480 -0.02884 -0.03528 0.00000 0.01238 134 2PY -0.11673 -0.04440 -0.01368 -0.00000 0.00432 135 2PZ 0.00000 0.00000 -0.00000 0.11392 -0.00000 136 3S 0.00310 0.00379 0.01967 -0.00000 -0.00452 137 3PX -0.02532 -0.00307 -0.00108 0.00000 0.00324 138 3PY 0.00568 0.00421 -0.00118 -0.00000 0.00196 139 3PZ -0.00000 -0.00000 -0.00000 0.07216 -0.00000 140 4XX -0.00568 -0.00442 -0.00242 0.00000 0.00090 141 4YY 0.00957 0.00401 0.00058 0.00000 -0.00056 142 4ZZ -0.00120 0.00005 -0.00095 0.00000 0.00012 143 4XY 0.00677 -0.00007 0.00069 0.00000 0.00033 144 4XZ -0.00000 -0.00000 0.00000 -0.00266 -0.00000 145 4YZ -0.00000 -0.00000 0.00000 -0.00805 0.00000 146 15 C 1S -0.00056 -0.00003 -0.00725 0.00000 0.00118 147 2S -0.01405 0.00414 -0.00326 0.00000 -0.00229 148 2PX 0.03774 0.03107 0.04792 -0.00000 -0.00216 149 2PY 0.08714 0.02735 -0.00082 0.00000 0.00446 150 2PZ -0.00000 -0.00000 0.00000 -0.02636 -0.00000 151 3S -0.01796 0.00079 0.00186 -0.00000 -0.00331 152 3PX 0.00059 0.00536 0.00921 -0.00000 -0.00016 153 3PY 0.04073 0.00957 -0.00080 0.00000 0.00151 154 3PZ -0.00000 -0.00000 0.00000 -0.02558 -0.00000 155 4XX -0.00318 -0.00102 -0.00231 0.00000 0.00047 156 4YY 0.00385 0.00231 0.00359 0.00000 -0.00040 157 4ZZ 0.00120 -0.00031 -0.00011 0.00000 0.00008 158 4XY 0.00331 0.00388 0.00050 -0.00000 -0.00008 159 4XZ -0.00000 -0.00000 -0.00000 0.00514 0.00000 160 4YZ -0.00000 -0.00000 -0.00000 -0.00385 0.00000 161 16 C 1S 0.02110 -0.00784 0.01358 -0.00000 -0.00033 162 2S -0.03399 0.01115 -0.01931 0.00000 0.00080 163 2PX -0.03689 -0.03633 -0.03958 0.00000 0.00202 164 2PY 0.06389 -0.03958 0.00937 0.00000 0.00057 165 2PZ -0.00000 0.00000 0.00000 -0.09179 -0.00000 166 3S -0.04015 0.01035 -0.01792 0.00000 0.00157 167 3PX -0.01047 -0.01751 -0.01654 0.00000 0.00151 168 3PY 0.01813 -0.01654 0.00160 0.00000 0.00074 169 3PZ -0.00000 0.00000 0.00000 -0.06699 -0.00000 170 4XX 0.00178 -0.00152 -0.00127 0.00000 -0.00012 171 4YY -0.00038 0.00109 0.00201 -0.00000 0.00000 172 4ZZ 0.00141 -0.00038 0.00066 -0.00000 -0.00000 173 4XY 0.00216 0.00189 -0.00068 0.00000 0.00011 174 4XZ -0.00000 -0.00000 0.00000 -0.00037 -0.00000 175 4YZ -0.00000 -0.00000 -0.00000 0.00064 0.00000 176 17 C 1S -0.00056 0.00629 -0.00360 0.00000 -0.00023 177 2S -0.01405 0.00075 -0.00521 0.00000 0.00043 178 2PX -0.09434 0.03974 0.02235 -0.00000 0.00264 179 2PY 0.01089 0.04291 -0.00950 0.00000 -0.00189 180 2PZ -0.00000 -0.00000 0.00000 -0.02636 0.00000 181 3S -0.01795 -0.00201 0.00025 -0.00000 0.00051 182 3PX -0.03556 0.00887 0.00754 -0.00000 0.00108 183 3PY 0.01985 0.00718 -0.00431 0.00000 0.00002 184 3PZ -0.00000 -0.00000 0.00000 -0.02558 0.00000 185 4XX 0.00458 -0.00435 -0.00256 0.00000 0.00006 186 4YY -0.00391 0.00259 0.00208 0.00000 0.00013 187 4ZZ 0.00120 0.00025 0.00022 0.00000 -0.00006 188 4XY -0.00186 0.00220 -0.00159 0.00000 -0.00030 189 4XZ 0.00000 -0.00000 0.00000 0.00076 0.00000 190 4YZ 0.00000 -0.00000 0.00000 -0.00638 -0.00000 191 18 C 1S 0.01064 0.00750 0.00182 -0.00000 -0.00719 192 2S 0.00232 -0.02934 0.00925 -0.00000 0.01239 193 2PX 0.12849 -0.05197 -0.03105 0.00000 0.00703 194 2PY -0.01090 -0.02192 0.00945 -0.00000 -0.00205 195 2PZ 0.00000 0.00000 -0.00000 0.11392 0.00000 196 3S 0.00310 -0.01893 0.00655 -0.00000 0.01340 197 3PX 0.00775 -0.00030 0.00262 -0.00000 0.00283 198 3PY 0.02477 -0.00268 -0.00395 -0.00000 -0.00260 199 3PZ -0.00000 0.00000 -0.00000 0.07216 0.00000 200 4XX 0.01084 -0.00123 -0.00143 0.00000 0.00001 201 4YY -0.00695 0.00303 0.00087 0.00000 -0.00016 202 4ZZ -0.00120 0.00080 -0.00052 0.00000 -0.00048 203 4XY -0.00424 0.00312 0.00310 -0.00000 -0.00007 204 4XZ 0.00000 -0.00000 -0.00000 0.00830 0.00000 205 4YZ 0.00000 -0.00000 0.00000 -0.00172 0.00000 206 19 H 1S -0.04895 0.03094 0.01916 -0.00000 0.00237 207 2S -0.04426 0.04210 0.02292 -0.00000 -0.00254 208 20 H 1S 0.05324 -0.03142 -0.01941 0.00000 -0.00095 209 2S 0.04262 -0.03256 -0.01845 0.00000 -0.00006 210 21 H 1S 0.02250 -0.00664 0.01150 -0.00000 -0.00030 211 2S 0.01763 -0.00783 0.01356 -0.00000 -0.00083 212 22 H 1S 0.05324 0.03252 0.01751 -0.00000 -0.00006 213 2S 0.04262 0.03226 0.01898 -0.00000 -0.00046 214 23 H 1S -0.04895 -0.03206 -0.01722 0.00000 0.00738 215 2S -0.04426 -0.04090 -0.02500 0.00000 0.00823 216 24 C 1S 0.01315 0.00573 -0.00332 0.00000 0.00087 217 2S -0.02899 -0.01078 0.00613 -0.00000 -0.00152 218 2PX 0.03130 -0.00171 -0.04397 0.00000 -0.00185 219 2PY -0.09471 -0.03902 0.03193 -0.00000 -0.00360 220 2PZ 0.00000 0.00000 -0.00000 -0.03023 0.00000 221 3S -0.05723 -0.03316 0.01809 -0.00000 -0.00304 222 3PX -0.03316 -0.00681 0.01638 -0.00000 0.00015 223 3PY -0.01809 -0.01638 0.00556 0.00000 -0.00193 224 3PZ 0.00000 0.00000 0.00000 -0.02658 0.00000 225 4XX -0.00304 0.00015 0.00193 -0.00000 0.00021 226 4YY 0.00371 0.00027 -0.00213 -0.00000 -0.00022 227 4ZZ 0.00127 0.00056 -0.00020 -0.00000 0.00007 228 4XY -0.00437 -0.00202 0.00126 -0.00000 -0.00003 229 4XZ 0.00000 0.00000 -0.00000 0.00128 0.00000 230 4YZ -0.00000 -0.00000 0.00000 0.00355 0.00000 231 25 C 1S 0.00483 -0.00396 -0.00339 0.00000 -0.00017 232 2S -0.00897 0.00806 0.00941 -0.00000 0.00032 233 2PX -0.04218 -0.01005 0.03892 -0.00000 0.00159 234 2PY -0.04827 0.01982 0.04755 -0.00000 -0.00081 235 2PZ 0.00000 -0.00000 -0.00000 -0.02922 0.00000 236 3S -0.03321 0.00035 0.03282 -0.00000 0.00100 237 3PX -0.02843 0.00150 0.02215 -0.00000 0.00175 238 3PY -0.02030 0.00750 0.01684 -0.00000 0.00015 239 3PZ 0.00000 -0.00000 -0.00000 -0.01413 -0.00000 240 4XX -0.00058 -0.00021 0.00049 -0.00000 -0.00003 241 4YY 0.00067 0.00036 -0.00034 -0.00000 -0.00005 242 4ZZ 0.00072 -0.00064 -0.00076 -0.00000 -0.00000 243 4XY -0.00132 -0.00271 -0.00104 0.00000 -0.00002 244 4XZ 0.00000 0.00000 0.00000 -0.00126 0.00000 245 4YZ -0.00000 -0.00000 0.00000 0.00045 0.00000 246 26 C 1S -0.00715 0.00143 0.00959 -0.00000 0.00001 247 2S 0.01190 -0.00586 -0.01543 0.00000 -0.00006 248 2PX 0.01017 0.00265 0.00184 -0.00000 -0.00022 249 2PY 0.04130 -0.01093 -0.04951 0.00000 0.00007 250 2PZ -0.00000 0.00000 0.00000 0.00316 -0.00000 251 3S 0.00871 -0.00356 -0.01951 0.00000 0.00062 252 3PX 0.00512 0.00265 -0.00190 0.00000 -0.00004 253 3PY 0.00560 -0.00202 -0.01218 0.00000 0.00007 254 3PZ -0.00000 0.00000 0.00000 -0.00039 -0.00000 255 4XX -0.00010 -0.00049 -0.00053 0.00000 0.00006 256 4YY -0.00009 0.00106 0.00063 0.00000 -0.00004 257 4ZZ -0.00067 0.00005 0.00069 0.00000 -0.00001 258 4XY 0.00096 -0.00043 -0.00114 0.00000 0.00004 259 4XZ -0.00000 0.00000 0.00000 -0.00031 -0.00000 260 4YZ 0.00000 -0.00000 -0.00000 -0.00195 0.00000 261 27 C 1S 0.00179 -0.00112 -0.00189 0.00000 0.00010 262 2S -0.00266 0.00270 0.00324 -0.00000 -0.00013 263 2PX 0.02490 -0.00418 -0.02877 0.00000 0.00031 264 2PY -0.01372 0.00669 0.02429 -0.00000 -0.00024 265 2PZ 0.00000 -0.00000 -0.00000 0.02595 0.00000 266 3S -0.00594 -0.00016 0.00567 -0.00000 -0.00053 267 3PX 0.01218 -0.00499 -0.01339 0.00000 0.00003 268 3PY -0.00811 0.00009 0.01214 -0.00000 -0.00028 269 3PZ 0.00000 -0.00000 -0.00000 0.02062 0.00000 270 4XX -0.00014 -0.00028 -0.00011 0.00000 0.00001 271 4YY 0.00017 -0.00020 -0.00010 0.00000 -0.00001 272 4ZZ 0.00006 0.00002 -0.00015 0.00000 0.00001 273 4XY -0.00015 -0.00010 0.00014 -0.00000 -0.00002 274 4XZ 0.00000 0.00000 -0.00000 0.00023 0.00000 275 4YZ -0.00000 0.00000 0.00000 0.00007 0.00000 276 28 C 1S 0.00688 0.00255 -0.00761 0.00000 0.00006 277 2S -0.01323 -0.00573 0.01399 -0.00000 -0.00022 278 2PX -0.03179 -0.00284 0.03313 -0.00000 -0.00033 279 2PY -0.02842 0.00173 0.03400 -0.00000 -0.00073 280 2PZ 0.00000 -0.00000 -0.00000 0.00941 0.00000 281 3S -0.01045 0.00269 0.00732 -0.00000 -0.00030 282 3PX -0.00616 -0.00217 0.00737 -0.00000 -0.00039 283 3PY -0.00922 0.00336 0.00863 -0.00000 -0.00027 284 3PZ 0.00000 -0.00000 -0.00000 0.00913 0.00000 285 4XX 0.00005 -0.00012 -0.00067 0.00000 0.00001 286 4YY 0.00070 0.00060 0.00045 0.00000 0.00002 287 4ZZ 0.00040 0.00009 -0.00062 0.00000 -0.00000 288 4XY -0.00066 -0.00014 0.00028 0.00000 -0.00001 289 4XZ 0.00000 0.00000 0.00000 -0.00141 0.00000 290 4YZ -0.00000 -0.00000 0.00000 -0.00098 -0.00000 291 29 C 1S -0.01231 -0.00557 -0.00053 0.00000 -0.00014 292 2S 0.02437 0.01286 -0.00283 0.00000 0.00023 293 2PX -0.00532 -0.00972 -0.01603 0.00000 0.00023 294 2PY 0.07717 0.01887 -0.05701 0.00000 0.00076 295 2PZ -0.00000 -0.00000 0.00000 -0.02729 -0.00000 296 3S 0.05756 0.01129 -0.02314 0.00000 -0.00017 297 3PX -0.00296 -0.00144 -0.00724 0.00000 0.00021 298 3PY 0.04868 0.01409 -0.03259 0.00000 -0.00020 299 3PZ -0.00000 -0.00000 0.00000 -0.02299 0.00000 300 4XX -0.00023 -0.00031 -0.00007 0.00000 0.00009 301 4YY -0.00072 -0.00043 0.00022 0.00000 -0.00008 302 4ZZ -0.00110 -0.00047 0.00023 0.00000 -0.00002 303 4XY -0.00170 -0.00050 0.00103 -0.00000 -0.00009 304 4XZ 0.00000 0.00000 -0.00000 0.00039 0.00000 305 4YZ 0.00000 0.00000 0.00000 -0.00150 0.00000 306 30 H 1S 0.00208 -0.00056 -0.00742 0.00000 0.00035 307 2S -0.00401 -0.00139 -0.00171 0.00000 0.00031 308 31 H 1S 0.00210 -0.00177 -0.00125 0.00000 0.00021 309 2S 0.00683 0.00233 -0.00354 0.00000 0.00028 310 32 H 1S -0.00147 -0.00186 -0.00215 0.00000 -0.00009 311 2S -0.00105 -0.00363 -0.00143 0.00000 -0.00015 312 33 H 1S -0.00078 -0.00460 -0.00823 0.00000 0.00028 313 2S -0.00293 -0.00210 -0.00335 0.00000 0.00032 314 34 H 1S -0.01561 0.02674 0.01659 -0.00000 -0.00062 315 2S 0.00389 0.01981 0.00517 -0.00000 0.00017 126 127 128 129 130 126 4YY 0.00130 127 4ZZ 0.00010 0.00084 128 4XY -0.00001 0.00013 0.00134 129 4XZ -0.00000 -0.00000 -0.00000 0.00060 130 4YZ -0.00000 -0.00000 -0.00000 0.00013 0.00045 131 14 C 1S -0.00517 0.00174 -0.00482 0.00000 0.00000 132 2S 0.00869 -0.00398 0.00915 -0.00000 -0.00000 133 2PX -0.01068 0.00280 0.00424 -0.00000 0.00000 134 2PY 0.00007 0.00542 -0.01099 0.00000 -0.00000 135 2PZ -0.00000 -0.00000 0.00000 0.00742 0.00941 136 3S 0.00822 -0.00305 0.01115 -0.00000 -0.00000 137 3PX -0.00231 0.00110 0.00234 -0.00000 0.00000 138 3PY -0.00089 0.00068 -0.00477 0.00000 -0.00000 139 3PZ -0.00000 -0.00000 0.00000 0.00563 0.00635 140 4XX -0.00071 0.00010 0.00018 -0.00000 0.00000 141 4YY 0.00043 -0.00033 -0.00022 -0.00000 -0.00000 142 4ZZ -0.00032 0.00026 -0.00036 -0.00000 -0.00000 143 4XY -0.00046 -0.00034 0.00041 -0.00000 0.00000 144 4XZ 0.00000 0.00000 -0.00000 -0.00001 -0.00021 145 4YZ -0.00000 -0.00000 0.00000 0.00031 0.00021 146 15 C 1S -0.00157 -0.00003 0.00086 -0.00000 0.00000 147 2S 0.00324 0.00035 -0.00190 0.00000 -0.00000 148 2PX 0.00399 -0.00032 -0.00285 0.00000 -0.00000 149 2PY -0.00928 -0.00054 0.00350 -0.00000 0.00000 150 2PZ -0.00000 -0.00000 -0.00000 0.00723 0.00882 151 3S 0.00293 0.00093 -0.00115 0.00000 -0.00000 152 3PX 0.00103 0.00018 -0.00172 0.00000 -0.00000 153 3PY -0.00287 -0.00061 0.00114 -0.00000 0.00000 154 3PZ -0.00000 -0.00000 -0.00000 0.00514 0.00566 155 4XX -0.00049 0.00010 0.00018 -0.00000 0.00000 156 4YY 0.00042 -0.00017 0.00011 0.00000 0.00000 157 4ZZ -0.00015 -0.00000 0.00004 0.00000 0.00000 158 4XY -0.00024 -0.00002 0.00003 -0.00000 0.00000 159 4XZ 0.00000 -0.00000 -0.00000 0.00023 0.00006 160 4YZ -0.00000 0.00000 -0.00000 -0.00020 -0.00033 161 16 C 1S 0.00038 -0.00044 -0.00072 0.00000 -0.00000 162 2S -0.00115 0.00069 0.00195 -0.00000 0.00000 163 2PX -0.00261 0.00048 -0.00006 0.00000 0.00000 164 2PY 0.00047 -0.00084 -0.00261 0.00000 -0.00000 165 2PZ -0.00000 -0.00000 0.00000 -0.00181 0.00314 166 3S -0.00046 0.00091 0.00203 -0.00000 -0.00000 167 3PX -0.00143 0.00016 -0.00094 0.00000 0.00000 168 3PY -0.00089 -0.00028 -0.00061 0.00000 0.00000 169 3PZ -0.00000 -0.00000 0.00000 -0.00091 0.00157 170 4XX 0.00004 -0.00001 0.00007 -0.00000 -0.00000 171 4YY 0.00017 -0.00001 -0.00040 -0.00000 -0.00000 172 4ZZ -0.00002 -0.00002 0.00002 -0.00000 0.00000 173 4XY -0.00036 -0.00000 0.00032 -0.00000 0.00000 174 4XZ -0.00000 -0.00000 -0.00000 0.00046 0.00038 175 4YZ -0.00000 0.00000 0.00000 0.00038 0.00002 176 17 C 1S -0.00015 -0.00003 0.00181 -0.00000 0.00000 177 2S 0.00052 0.00035 -0.00371 0.00000 -0.00000 178 2PX 0.00063 0.00063 -0.00521 0.00000 -0.00000 179 2PY -0.00211 0.00001 0.00821 -0.00000 0.00000 180 2PZ 0.00000 0.00000 -0.00000 -0.01126 -0.00185 181 3S -0.00089 0.00093 -0.00370 0.00000 0.00000 182 3PX -0.00034 0.00044 -0.00166 0.00000 -0.00000 183 3PY -0.00146 -0.00046 0.00264 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 -0.00747 -0.00162 185 4XX -0.00029 -0.00012 -0.00005 0.00000 0.00000 186 4YY 0.00011 0.00005 0.00027 -0.00000 -0.00000 187 4ZZ -0.00001 -0.00000 0.00013 -0.00000 -0.00000 188 4XY 0.00011 0.00012 0.00051 -0.00000 -0.00000 189 4XZ -0.00000 -0.00000 -0.00000 -0.00025 0.00008 190 4YZ -0.00000 -0.00000 -0.00000 0.00033 0.00015 191 18 C 1S 0.00325 0.00174 0.00080 -0.00000 -0.00000 192 2S -0.00765 -0.00398 -0.00175 0.00000 0.00000 193 2PX -0.01168 -0.00610 -0.00390 0.00000 0.00000 194 2PY 0.00277 0.00028 -0.01351 0.00000 -0.00000 195 2PZ -0.00000 0.00000 0.00000 -0.01186 -0.00172 196 3S -0.00969 -0.00305 -0.00080 0.00000 0.00000 197 3PX -0.00422 -0.00114 -0.00114 0.00000 0.00000 198 3PY 0.00233 -0.00061 -0.00390 0.00000 -0.00000 199 3PZ -0.00000 0.00000 0.00000 -0.00831 -0.00170 200 4XX -0.00015 -0.00048 0.00022 -0.00000 0.00000 201 4YY 0.00037 0.00025 0.00007 0.00000 -0.00000 202 4ZZ 0.00028 0.00026 0.00004 0.00000 -0.00000 203 4XY 0.00016 0.00004 0.00105 -0.00000 -0.00000 204 4XZ -0.00000 -0.00000 -0.00000 0.00020 0.00019 205 4YZ -0.00000 -0.00000 0.00000 -0.00033 0.00000 206 19 H 1S 0.00068 0.00063 0.00836 -0.00000 -0.00000 207 2S 0.00378 0.00104 0.00804 -0.00000 -0.00000 208 20 H 1S -0.00092 -0.00046 0.00116 -0.00000 0.00000 209 2S -0.00178 -0.00058 0.00119 -0.00000 0.00000 210 21 H 1S 0.00150 -0.00027 -0.00180 0.00000 -0.00000 211 2S 0.00235 -0.00028 -0.00318 0.00000 -0.00000 212 22 H 1S -0.00181 -0.00046 0.00057 -0.00000 0.00000 213 2S -0.00138 -0.00058 0.00145 -0.00000 0.00000 214 23 H 1S -0.00432 0.00064 0.00503 -0.00000 0.00000 215 2S -0.00699 0.00104 0.00086 -0.00000 0.00000 216 24 C 1S -0.00152 -0.00034 -0.00104 0.00000 0.00000 217 2S 0.00290 0.00067 0.00223 -0.00000 -0.00000 218 2PX 0.00304 -0.00003 0.00036 -0.00000 -0.00000 219 2PY 0.00605 0.00071 0.00385 -0.00000 -0.00000 220 2PZ 0.00000 0.00000 -0.00000 0.00221 -0.00562 221 3S 0.00371 0.00127 0.00437 -0.00000 -0.00000 222 3PX 0.00027 0.00056 0.00202 -0.00000 -0.00000 223 3PY 0.00213 0.00020 0.00126 -0.00000 -0.00000 224 3PZ 0.00000 0.00000 -0.00000 0.00128 -0.00355 225 4XX -0.00022 0.00007 0.00003 -0.00000 0.00000 226 4YY 0.00031 -0.00015 -0.00023 0.00000 -0.00000 227 4ZZ -0.00015 -0.00002 -0.00003 -0.00000 0.00000 228 4XY 0.00023 0.00003 0.00020 -0.00000 -0.00000 229 4XZ -0.00000 0.00000 -0.00000 0.00004 -0.00003 230 4YZ -0.00000 0.00000 0.00000 0.00003 -0.00008 231 25 C 1S 0.00011 -0.00014 0.00045 -0.00000 0.00000 232 2S -0.00040 0.00024 -0.00100 0.00000 0.00000 233 2PX -0.00178 0.00043 0.00219 -0.00000 0.00000 234 2PY -0.00005 0.00073 -0.00212 0.00000 0.00000 235 2PZ 0.00000 0.00000 0.00000 0.00065 -0.00241 236 3S -0.00138 0.00047 -0.00242 0.00000 0.00000 237 3PX -0.00153 0.00031 0.00263 -0.00000 0.00000 238 3PY -0.00035 0.00022 0.00007 -0.00000 0.00000 239 3PZ 0.00000 0.00000 0.00000 -0.00004 -0.00159 240 4XX 0.00001 0.00002 -0.00006 0.00000 -0.00000 241 4YY 0.00007 -0.00002 -0.00007 0.00000 0.00000 242 4ZZ -0.00000 -0.00001 0.00001 -0.00000 0.00000 243 4XY 0.00013 -0.00001 0.00028 -0.00000 0.00000 244 4XZ 0.00000 0.00000 -0.00000 0.00008 -0.00020 245 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00008 246 26 C 1S -0.00017 0.00010 -0.00018 0.00000 0.00000 247 2S 0.00034 -0.00017 0.00026 -0.00000 -0.00000 248 2PX 0.00047 -0.00008 0.00024 -0.00000 -0.00000 249 2PY 0.00076 -0.00056 0.00043 -0.00000 -0.00000 250 2PZ -0.00000 -0.00000 -0.00000 -0.00047 0.00108 251 3S -0.00010 -0.00017 0.00274 -0.00000 0.00000 252 3PX 0.00013 -0.00006 0.00084 -0.00000 -0.00000 253 3PY 0.00038 -0.00010 0.00113 -0.00000 -0.00000 254 3PZ -0.00000 -0.00000 -0.00000 -0.00013 0.00091 255 4XX -0.00005 -0.00000 0.00008 -0.00000 0.00000 256 4YY 0.00001 0.00001 -0.00010 0.00000 0.00000 257 4ZZ -0.00000 0.00001 -0.00002 -0.00000 0.00000 258 4XY -0.00002 -0.00002 0.00005 -0.00000 0.00000 259 4XZ 0.00000 -0.00000 -0.00000 -0.00001 0.00001 260 4YZ 0.00000 0.00000 0.00000 0.00006 -0.00016 261 27 C 1S -0.00012 -0.00006 0.00011 -0.00000 0.00000 262 2S 0.00016 0.00009 -0.00019 0.00000 -0.00000 263 2PX 0.00035 -0.00025 0.00010 -0.00000 -0.00000 264 2PY 0.00006 0.00022 -0.00020 0.00000 -0.00000 265 2PZ -0.00000 -0.00000 0.00000 -0.00117 0.00293 266 3S 0.00055 0.00008 -0.00108 0.00000 -0.00000 267 3PX 0.00020 -0.00016 -0.00031 0.00000 -0.00000 268 3PY 0.00019 0.00007 -0.00054 0.00000 -0.00000 269 3PZ -0.00000 -0.00000 0.00000 -0.00079 0.00192 270 4XX -0.00000 -0.00000 -0.00001 0.00000 0.00000 271 4YY 0.00002 -0.00001 0.00003 -0.00000 -0.00000 272 4ZZ -0.00001 -0.00000 0.00001 0.00000 -0.00000 273 4XY 0.00004 -0.00000 0.00004 -0.00000 -0.00000 274 4XZ -0.00000 -0.00000 -0.00000 -0.00002 0.00005 275 4YZ -0.00000 -0.00000 -0.00000 -0.00002 0.00004 276 28 C 1S -0.00006 -0.00003 -0.00020 0.00000 0.00000 277 2S 0.00030 0.00008 0.00038 -0.00000 -0.00000 278 2PX -0.00019 0.00025 0.00053 -0.00000 0.00000 279 2PY 0.00095 0.00020 0.00083 -0.00000 -0.00000 280 2PZ -0.00000 -0.00000 -0.00000 -0.00083 0.00183 281 3S 0.00045 0.00025 0.00081 -0.00000 -0.00000 282 3PX 0.00028 0.00003 -0.00022 0.00000 -0.00000 283 3PY 0.00043 0.00018 0.00056 -0.00000 -0.00000 284 3PZ -0.00000 -0.00000 -0.00000 -0.00069 0.00144 285 4XX 0.00000 0.00000 0.00002 -0.00000 -0.00000 286 4YY -0.00006 -0.00000 -0.00005 0.00000 0.00000 287 4ZZ 0.00000 -0.00000 -0.00002 0.00000 0.00000 288 4XY 0.00003 0.00000 0.00003 -0.00000 0.00000 289 4XZ 0.00000 0.00000 -0.00000 0.00005 -0.00013 290 4YZ 0.00000 0.00000 0.00000 0.00001 -0.00004 291 29 C 1S 0.00036 0.00005 0.00045 -0.00000 -0.00000 292 2S -0.00071 -0.00017 -0.00102 0.00000 0.00000 293 2PX 0.00009 0.00003 0.00036 -0.00000 -0.00000 294 2PY -0.00119 -0.00048 -0.00222 0.00000 0.00000 295 2PZ 0.00000 0.00000 0.00000 0.00056 -0.00162 296 3S -0.00075 -0.00080 -0.00312 0.00000 0.00000 297 3PX -0.00003 0.00018 0.00027 -0.00000 -0.00000 298 3PY -0.00007 -0.00042 -0.00195 0.00000 0.00000 299 3PZ 0.00000 0.00000 0.00000 0.00051 -0.00105 300 4XX -0.00008 -0.00001 -0.00000 0.00000 0.00000 301 4YY 0.00010 0.00003 0.00007 -0.00000 0.00000 302 4ZZ 0.00003 0.00000 0.00003 -0.00000 0.00000 303 4XY 0.00013 0.00001 0.00007 -0.00000 -0.00000 304 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00002 305 4YZ 0.00000 0.00000 -0.00000 0.00010 -0.00024 306 30 H 1S -0.00030 -0.00006 -0.00002 0.00000 0.00000 307 2S -0.00018 -0.00006 0.00031 -0.00000 0.00000 308 31 H 1S -0.00053 -0.00000 -0.00026 0.00000 0.00000 309 2S -0.00060 -0.00001 -0.00037 0.00000 0.00000 310 32 H 1S 0.00007 -0.00002 0.00015 -0.00000 -0.00000 311 2S 0.00020 -0.00006 0.00022 -0.00000 -0.00000 312 33 H 1S -0.00026 -0.00004 0.00022 -0.00000 0.00000 313 2S -0.00032 0.00000 0.00043 -0.00000 0.00000 314 34 H 1S 0.00049 0.00041 -0.00094 0.00000 -0.00000 315 2S -0.00051 0.00012 -0.00102 0.00000 0.00000 131 132 133 134 135 131 14 C 1S 2.05345 132 2S -0.06555 0.33572 133 2PX -0.00411 0.00357 0.45338 134 2PY -0.00283 0.00937 -0.00855 0.41634 135 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.31455 136 3S -0.17800 0.27937 0.00226 -0.06877 0.00000 137 3PX -0.00482 0.02293 0.15713 -0.00543 0.00000 138 3PY 0.00488 -0.00927 -0.01428 0.12689 -0.00000 139 3PZ -0.00000 0.00000 0.00000 -0.00000 0.21196 140 4XX -0.02034 0.00236 0.02213 0.00396 -0.00000 141 4YY -0.01731 -0.00233 -0.01395 -0.00460 0.00000 142 4ZZ -0.01124 -0.01627 -0.00095 0.00012 -0.00000 143 4XY -0.00093 0.00183 0.00858 -0.01298 0.00000 144 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00619 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00220 146 15 C 1S 0.01717 -0.03513 0.04781 -0.06540 0.00000 147 2S -0.03496 0.06184 -0.09851 0.13210 -0.00000 148 2PX -0.03523 0.07810 -0.07827 0.13539 -0.00000 149 2PY 0.07298 -0.15106 0.16740 -0.22659 0.00000 150 2PZ -0.00000 0.00000 -0.00000 0.00000 0.23430 151 3S 0.00747 0.01774 -0.09765 0.09807 -0.00000 152 3PX -0.01083 0.01918 -0.00675 0.05586 -0.00000 153 3PY 0.00875 -0.03613 0.03776 -0.06618 -0.00000 154 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.14787 155 4XX 0.00058 -0.00277 0.01584 -0.00316 0.00000 156 4YY -0.00414 0.00713 -0.01073 -0.00076 0.00000 157 4ZZ 0.00189 -0.00436 0.00354 -0.00573 0.00000 158 4XY 0.00527 -0.01027 -0.00256 -0.01048 0.00000 159 4XZ -0.00000 0.00000 0.00000 0.00000 0.00483 160 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.01044 161 16 C 1S -0.00269 0.00737 -0.01389 0.01014 -0.00000 162 2S 0.00771 -0.01778 0.03610 -0.02784 0.00000 163 2PX 0.01183 -0.03434 0.04937 -0.03201 0.00000 164 2PY -0.00582 0.01273 -0.01218 0.02091 -0.00000 165 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.02250 166 3S -0.01214 0.00519 0.05374 -0.00325 0.00000 167 3PX 0.00021 -0.00966 0.04605 -0.00660 0.00000 168 3PY 0.00732 -0.00626 0.02419 -0.00975 0.00000 169 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00378 170 4XX -0.00057 0.00123 -0.00406 0.00285 -0.00000 171 4YY -0.00015 0.00070 -0.00123 0.00217 -0.00000 172 4ZZ 0.00015 0.00004 0.00031 -0.00032 -0.00000 173 4XY 0.00212 -0.00451 0.00696 -0.00819 0.00000 174 4XZ -0.00000 0.00000 -0.00000 0.00000 0.01142 175 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00302 176 17 C 1S -0.00371 0.00732 -0.00979 0.00089 -0.00000 177 2S 0.00676 -0.01578 0.02140 -0.00207 0.00000 178 2PX 0.00908 -0.02094 0.02812 -0.00145 0.00000 179 2PY 0.00084 0.00198 0.00120 -0.03206 0.00000 180 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.12114 181 3S 0.02554 -0.03914 0.06890 -0.00418 0.00000 182 3PX 0.01309 -0.01831 0.02328 -0.00039 0.00000 183 3PY 0.00092 0.00005 0.00556 -0.02244 0.00000 184 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.09540 185 4XX 0.00015 -0.00069 0.00005 0.00105 -0.00000 186 4YY -0.00034 0.00099 -0.00059 -0.00137 -0.00000 187 4ZZ -0.00036 0.00044 -0.00008 0.00006 -0.00000 188 4XY -0.00010 0.00031 0.00026 -0.00310 0.00000 189 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00061 190 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00280 191 18 C 1S -0.00369 0.00959 -0.01106 -0.01018 0.00000 192 2S 0.00959 -0.02337 0.03050 0.02377 -0.00000 193 2PX 0.01435 -0.03584 0.03442 0.03509 -0.00000 194 2PY 0.00449 -0.01453 0.00407 0.01181 0.00000 195 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.05536 196 3S 0.00297 -0.02310 0.04311 0.04563 -0.00000 197 3PX 0.00354 -0.01423 0.01578 0.01529 -0.00000 198 3PY -0.00866 0.01018 -0.03161 -0.02362 0.00000 199 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.05372 200 4XX -0.00113 0.00233 -0.00430 -0.00516 0.00000 201 4YY 0.00004 0.00035 -0.00028 0.00030 0.00000 202 4ZZ 0.00013 -0.00004 0.00086 -0.00023 0.00000 203 4XY -0.00223 0.00499 -0.00717 -0.00848 0.00000 204 4XZ 0.00000 -0.00000 0.00000 0.00000 0.01004 205 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00311 206 19 H 1S -0.00811 0.02016 -0.01937 -0.02806 0.00000 207 2S -0.01643 0.03541 -0.05768 -0.06700 0.00000 208 20 H 1S -0.00117 0.00253 -0.00445 0.00249 -0.00000 209 2S 0.00133 -0.00120 -0.00059 0.00674 -0.00000 210 21 H 1S -0.00767 0.01793 -0.02340 0.02918 -0.00000 211 2S -0.01140 0.02354 -0.04542 0.04885 -0.00000 212 22 H 1S 0.01500 -0.03230 0.00269 -0.04163 0.00000 213 2S 0.01779 -0.03390 0.00305 -0.07679 0.00000 214 23 H 1S -0.06214 0.11951 0.28385 0.02987 -0.00000 215 2S -0.00435 0.01667 0.22251 0.04780 -0.00000 216 24 C 1S 0.00215 -0.00464 0.00213 0.00940 -0.00000 217 2S -0.00476 0.00991 -0.00489 -0.01840 0.00000 218 2PX -0.00235 0.00385 0.00078 -0.01122 0.00000 219 2PY -0.00880 0.01792 -0.01009 -0.03391 0.00000 220 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.03356 221 3S -0.01231 0.02437 -0.00532 -0.07717 0.00000 222 3PX -0.00557 0.01286 -0.00971 -0.01887 0.00000 223 3PY 0.00053 0.00283 0.01603 -0.05701 0.00000 224 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.02729 225 4XX -0.00014 0.00023 0.00023 -0.00076 0.00000 226 4YY 0.00036 -0.00071 0.00009 0.00119 -0.00000 227 4ZZ 0.00005 -0.00017 0.00003 0.00048 -0.00000 228 4XY -0.00045 0.00102 -0.00036 -0.00222 0.00000 229 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00056 230 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00162 231 25 C 1S -0.00029 0.00053 -0.00073 -0.00071 0.00000 232 2S 0.00070 -0.00151 0.00205 0.00212 -0.00000 233 2PX -0.00170 0.00448 -0.00441 -0.00717 0.00000 234 2PY 0.00186 -0.00355 0.00446 0.00555 0.00000 235 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.02224 236 3S 0.00007 0.00005 0.00046 -0.00540 0.00000 237 3PX -0.00174 0.00589 -0.00702 0.00151 -0.00000 238 3PY -0.00075 0.00129 -0.00503 0.01747 -0.00000 239 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.01629 240 4XX 0.00001 -0.00001 -0.00014 0.00019 -0.00000 241 4YY 0.00006 -0.00019 0.00032 0.00014 0.00000 242 4ZZ 0.00000 -0.00007 0.00011 0.00011 0.00000 243 4XY -0.00044 0.00079 -0.00059 -0.00118 0.00000 244 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00128 245 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00047 246 26 C 1S 0.00020 -0.00029 0.00026 0.00056 -0.00000 247 2S -0.00042 0.00051 -0.00041 -0.00189 0.00000 248 2PX -0.00027 0.00094 -0.00086 -0.00087 0.00000 249 2PY -0.00100 0.00113 -0.00083 -0.00300 -0.00000 250 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00938 251 3S -0.00210 0.00449 -0.00556 0.01135 -0.00000 252 3PX -0.00064 0.00141 -0.00156 0.00353 -0.00000 253 3PY -0.00157 0.00366 -0.00600 0.00179 -0.00000 254 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00782 255 4XX -0.00007 0.00014 -0.00021 -0.00022 0.00000 256 4YY 0.00013 -0.00023 0.00028 0.00055 0.00000 257 4ZZ 0.00000 -0.00002 0.00003 -0.00008 0.00000 258 4XY -0.00005 0.00010 -0.00018 -0.00009 0.00000 259 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00003 260 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00156 261 27 C 1S -0.00007 0.00008 -0.00008 -0.00000 0.00000 262 2S 0.00015 -0.00026 0.00024 0.00060 -0.00000 263 2PX -0.00035 0.00024 -0.00071 -0.00155 0.00000 264 2PY 0.00043 -0.00031 0.00056 0.00128 -0.00000 265 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.02646 266 3S 0.00137 -0.00203 0.00184 -0.00453 0.00000 267 3PX 0.00067 -0.00158 0.00276 -0.00405 0.00000 268 3PY 0.00035 -0.00038 -0.00025 -0.00363 -0.00000 269 3PZ -0.00000 0.00000 0.00000 -0.00000 0.01845 270 4XX 0.00001 -0.00004 0.00008 -0.00003 0.00000 271 4YY -0.00005 0.00011 -0.00014 -0.00015 -0.00000 272 4ZZ -0.00000 -0.00001 0.00002 0.00007 -0.00000 273 4XY -0.00007 0.00015 -0.00002 -0.00026 0.00000 274 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00026 275 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00030 276 28 C 1S 0.00036 -0.00081 0.00026 0.00134 -0.00000 277 2S -0.00069 0.00158 -0.00029 -0.00387 0.00000 278 2PX -0.00061 0.00171 -0.00065 -0.00250 0.00000 279 2PY -0.00161 0.00415 -0.00154 -0.00618 -0.00000 280 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.01215 281 3S -0.00175 0.00302 -0.00148 0.00827 -0.00000 282 3PX 0.00131 -0.00196 0.00481 -0.00280 0.00000 283 3PY -0.00149 0.00279 -0.00133 0.00303 -0.00000 284 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00997 285 4XX -0.00002 0.00005 -0.00011 -0.00022 0.00000 286 4YY 0.00010 -0.00020 0.00012 0.00081 -0.00000 287 4ZZ 0.00003 -0.00008 0.00006 -0.00004 0.00000 288 4XY -0.00007 0.00016 -0.00014 -0.00025 0.00000 289 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00129 290 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00064 291 29 C 1S -0.00106 0.00194 -0.00078 -0.00402 0.00000 292 2S 0.00194 -0.00390 0.00093 0.00899 -0.00000 293 2PX -0.00078 0.00093 -0.00312 -0.00525 0.00000 294 2PY 0.00402 -0.00899 0.00525 0.01566 -0.00000 295 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.01913 296 3S 0.00885 -0.01591 0.01478 0.00337 -0.00000 297 3PX -0.00221 0.00233 -0.00781 0.01238 -0.00000 298 3PY 0.00557 -0.01054 0.01306 0.01255 -0.00000 299 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.01435 300 4XX 0.00004 -0.00007 -0.00018 0.00010 -0.00000 301 4YY -0.00008 0.00019 0.00019 -0.00096 0.00000 302 4ZZ -0.00010 0.00014 -0.00017 -0.00015 0.00000 303 4XY -0.00021 0.00038 -0.00021 -0.00081 0.00000 304 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00019 305 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00158 306 30 H 1S 0.00007 -0.00029 -0.00048 0.00049 -0.00000 307 2S 0.00061 -0.00028 0.00276 -0.00970 0.00000 308 31 H 1S 0.00061 -0.00148 0.00085 0.00287 -0.00000 309 2S 0.00052 -0.00142 0.00025 0.00649 -0.00000 310 32 H 1S -0.00031 0.00055 -0.00028 -0.00125 0.00000 311 2S -0.00046 0.00093 -0.00043 -0.00375 0.00000 312 33 H 1S -0.00020 0.00008 -0.00022 -0.00080 0.00000 313 2S -0.00043 0.00075 -0.00144 -0.00107 0.00000 314 34 H 1S 0.00062 -0.00074 -0.00012 0.00090 -0.00000 315 2S 0.00354 -0.00605 0.00873 0.00961 -0.00000 136 137 138 139 140 136 3S 0.29448 137 3PX 0.01451 0.06368 138 3PY -0.02556 -0.00605 0.06827 139 3PZ 0.00000 0.00000 -0.00000 0.14447 140 4XX 0.00391 0.00651 0.00019 0.00000 0.00188 141 4YY -0.00250 -0.00427 -0.00008 -0.00000 -0.00097 142 4ZZ -0.01235 -0.00104 0.00085 -0.00000 -0.00008 143 4XY 0.00310 0.00257 -0.00251 0.00000 0.00036 144 4XZ -0.00000 -0.00000 0.00000 -0.00388 -0.00000 145 4YZ 0.00000 0.00000 -0.00000 0.00172 0.00000 146 15 C 1S 0.01183 0.00760 -0.01110 0.00000 0.00078 147 2S 0.01567 -0.03689 0.02806 -0.00000 -0.00265 148 2PX -0.00820 -0.01021 0.07287 -0.00000 -0.01197 149 2PY -0.11949 0.05020 -0.05372 -0.00000 -0.00019 150 2PZ 0.00000 -0.00000 -0.00000 0.15708 -0.00000 151 3S -0.03733 -0.02897 0.00206 -0.00000 -0.00545 152 3PX -0.01313 0.00076 0.01946 -0.00000 -0.00274 153 3PY -0.01826 0.00770 -0.00597 -0.00000 -0.00002 154 3PZ 0.00000 -0.00000 -0.00000 0.09987 -0.00000 155 4XX -0.00156 0.00502 -0.00219 0.00000 0.00099 156 4YY 0.00379 -0.00272 0.00091 0.00000 -0.00089 157 4ZZ -0.00168 0.00137 -0.00099 0.00000 0.00007 158 4XY -0.01080 -0.00141 -0.00317 0.00000 -0.00062 159 4XZ 0.00000 0.00000 0.00000 0.00363 0.00000 160 4YZ -0.00000 0.00000 0.00000 -0.00695 0.00000 161 16 C 1S -0.00783 0.00098 0.00763 -0.00000 -0.00182 162 2S -0.00475 0.00854 -0.02020 0.00000 0.00428 163 2PX 0.00939 0.00061 -0.04282 0.00000 0.01024 164 2PY 0.06199 -0.00320 0.04205 -0.00000 -0.00085 165 2PZ -0.00000 0.00000 -0.00000 0.00645 0.00000 166 3S 0.02389 0.01648 -0.00614 0.00000 0.00475 167 3PX 0.00498 0.00814 -0.01178 0.00000 0.00489 168 3PY 0.00684 0.00855 0.00344 -0.00000 0.00111 169 3PZ -0.00000 -0.00000 -0.00000 -0.00232 -0.00000 170 4XX 0.00180 -0.00174 0.00024 -0.00000 0.00000 171 4YY -0.00067 -0.00006 0.00229 -0.00000 -0.00032 172 4ZZ -0.00017 0.00032 0.00026 -0.00000 -0.00012 173 4XY -0.00565 0.00229 -0.00335 -0.00000 0.00003 174 4XZ 0.00000 -0.00000 -0.00000 0.00791 -0.00000 175 4YZ 0.00000 -0.00000 -0.00000 0.00264 0.00000 176 17 C 1S 0.01997 -0.00836 0.00461 -0.00000 -0.00018 177 2S -0.02598 0.00739 -0.00831 0.00000 0.00006 178 2PX -0.05521 0.00542 -0.00822 0.00000 0.00097 179 2PY -0.03662 0.00364 -0.01881 0.00000 -0.00151 180 2PZ 0.00000 -0.00000 0.00000 -0.09778 0.00000 181 3S -0.06030 0.02892 -0.01024 0.00000 0.00172 182 3PX -0.03070 0.00765 -0.00531 0.00000 0.00108 183 3PY -0.01046 -0.00055 -0.00894 0.00000 -0.00060 184 3PZ 0.00000 0.00000 0.00000 -0.07408 0.00000 185 4XX 0.00097 -0.00102 0.00001 -0.00000 0.00048 186 4YY 0.00080 0.00070 -0.00028 -0.00000 -0.00028 187 4ZZ 0.00059 0.00006 0.00053 -0.00000 -0.00004 188 4XY 0.00013 0.00053 -0.00288 0.00000 -0.00000 189 4XZ -0.00000 -0.00000 0.00000 -0.00010 0.00000 190 4YZ -0.00000 -0.00000 -0.00000 0.00213 0.00000 191 18 C 1S 0.00297 0.00573 -0.00739 0.00000 -0.00192 192 2S -0.02310 -0.00170 0.01741 -0.00000 0.00459 193 2PX -0.06107 -0.02084 0.03643 -0.00000 0.00976 194 2PY -0.01452 -0.01047 0.01300 0.00000 0.00206 195 2PZ 0.00000 0.00000 0.00000 -0.05372 -0.00000 196 3S -0.02686 -0.00281 0.03640 -0.00000 0.00514 197 3PX -0.03012 -0.00265 0.01803 -0.00000 0.00379 198 3PY 0.02064 -0.01863 -0.00230 0.00000 -0.00102 199 3PZ -0.00000 0.00000 0.00000 -0.04731 0.00000 200 4XX 0.00333 -0.00196 -0.00062 0.00000 -0.00005 201 4YY -0.00062 0.00083 -0.00138 0.00000 -0.00029 202 4ZZ 0.00032 0.00078 -0.00055 0.00000 -0.00012 203 4XY 0.00636 -0.00153 -0.00347 -0.00000 -0.00051 204 4XZ -0.00000 0.00000 -0.00000 0.00679 0.00000 205 4YZ 0.00000 -0.00000 0.00000 -0.00258 0.00000 206 19 H 1S 0.02613 0.00792 -0.01715 0.00000 -0.00388 207 2S 0.04487 -0.00432 -0.03085 0.00000 -0.00584 208 20 H 1S 0.02139 -0.00212 0.00138 -0.00000 0.00091 209 2S 0.01692 -0.00394 0.00219 -0.00000 0.00233 210 21 H 1S 0.03261 -0.00418 0.03307 -0.00000 -0.00219 211 2S 0.02937 -0.01263 0.03640 -0.00000 -0.00302 212 22 H 1S -0.06327 0.00177 -0.00084 0.00000 -0.00642 213 2S -0.05138 0.00331 -0.01381 0.00000 -0.00581 214 23 H 1S 0.09384 0.10063 -0.01187 0.00000 0.01663 215 2S 0.00090 0.06772 -0.00222 0.00000 0.01440 216 24 C 1S -0.01168 0.00226 0.00531 -0.00000 0.00004 217 2S 0.02533 -0.00532 -0.01162 0.00000 -0.00014 218 2PX 0.03542 -0.01991 -0.00722 0.00000 0.00043 219 2PY 0.04852 -0.00535 -0.03454 0.00000 0.00006 220 2PZ -0.00000 0.00000 0.00000 -0.02942 -0.00000 221 3S 0.05756 -0.00296 -0.04868 0.00000 -0.00023 222 3PX 0.01129 -0.00144 -0.01409 0.00000 -0.00031 223 3PY 0.02314 0.00724 -0.03259 0.00000 0.00007 224 3PZ -0.00000 -0.00000 0.00000 -0.02299 -0.00000 225 4XX -0.00017 0.00021 0.00020 -0.00000 0.00009 226 4YY -0.00075 -0.00003 0.00007 -0.00000 -0.00008 227 4ZZ -0.00080 0.00018 0.00042 -0.00000 -0.00001 228 4XY 0.00312 -0.00027 -0.00195 0.00000 0.00000 229 4XZ -0.00000 0.00000 0.00000 0.00051 0.00000 230 4YZ 0.00000 -0.00000 -0.00000 0.00105 0.00000 231 25 C 1S 0.00445 -0.00047 -0.00283 0.00000 -0.00024 232 2S -0.01044 0.00137 0.00669 -0.00000 0.00054 233 2PX -0.00771 0.01422 -0.00625 0.00000 -0.00070 234 2PY -0.03354 0.01063 0.02352 -0.00000 0.00094 235 2PZ 0.00000 -0.00000 -0.00000 -0.01956 -0.00000 236 3S -0.01766 0.00681 0.00434 -0.00000 0.00096 237 3PX -0.00680 0.00581 -0.00161 0.00000 -0.00073 238 3PY -0.01208 -0.00033 0.01505 -0.00000 0.00046 239 3PZ 0.00000 0.00000 -0.00000 -0.01466 -0.00000 240 4XX -0.00030 -0.00003 0.00024 -0.00000 0.00001 241 4YY -0.00028 -0.00007 0.00029 0.00000 0.00004 242 4ZZ 0.00051 -0.00014 -0.00028 0.00000 -0.00000 243 4XY 0.00322 -0.00058 -0.00247 0.00000 -0.00005 244 4XZ -0.00000 0.00000 0.00000 -0.00110 0.00000 245 4YZ 0.00000 0.00000 0.00000 -0.00043 -0.00000 246 26 C 1S -0.00580 0.00284 0.00300 -0.00000 0.00004 247 2S 0.01075 -0.00465 -0.00682 0.00000 -0.00010 248 2PX -0.00278 0.00209 0.00080 -0.00000 -0.00008 249 2PY 0.02976 -0.01579 -0.01601 0.00000 -0.00007 250 2PZ -0.00000 0.00000 0.00000 0.00720 0.00000 251 3S 0.01469 -0.00797 -0.00339 0.00000 -0.00038 252 3PX 0.00071 -0.00057 0.00205 -0.00000 -0.00007 253 3PY 0.01063 -0.00670 -0.00466 0.00000 -0.00029 254 3PZ -0.00000 0.00000 0.00000 0.00628 0.00000 255 4XX 0.00073 -0.00016 -0.00060 0.00000 -0.00003 256 4YY -0.00115 0.00014 0.00104 0.00000 0.00004 257 4ZZ -0.00033 0.00021 0.00013 0.00000 0.00000 258 4XY 0.00083 -0.00029 -0.00061 0.00000 -0.00002 259 4XZ -0.00000 0.00000 0.00000 0.00003 0.00000 260 4YZ 0.00000 -0.00000 -0.00000 -0.00134 -0.00000 261 27 C 1S 0.00149 -0.00015 -0.00141 0.00000 -0.00003 262 2S -0.00309 0.00012 0.00306 -0.00000 0.00009 263 2PX 0.01484 -0.01009 -0.00695 0.00000 -0.00003 264 2PY -0.01600 0.00806 0.00893 -0.00000 0.00010 265 2PZ 0.00000 -0.00000 -0.00000 0.02255 -0.00000 266 3S -0.00420 0.00129 -0.00013 0.00000 0.00012 267 3PX 0.00703 -0.00267 -0.00600 0.00000 0.00001 268 3PY -0.00658 0.00380 0.00073 -0.00000 -0.00001 269 3PZ 0.00000 -0.00000 -0.00000 0.01560 0.00000 270 4XX 0.00019 -0.00007 -0.00010 0.00000 0.00001 271 4YY 0.00030 0.00003 -0.00030 0.00000 -0.00002 272 4ZZ 0.00005 -0.00003 -0.00001 -0.00000 0.00000 273 4XY 0.00034 -0.00002 -0.00022 0.00000 0.00001 274 4XZ -0.00000 0.00000 0.00000 0.00030 -0.00000 275 4YZ -0.00000 -0.00000 0.00000 0.00023 0.00000 276 28 C 1S 0.00082 -0.00219 0.00066 -0.00000 -0.00003 277 2S -0.00039 0.00373 -0.00178 0.00000 0.00006 278 2PX -0.00985 0.01109 0.00149 -0.00000 -0.00005 279 2PY -0.00754 0.00833 0.00212 -0.00000 0.00022 280 2PZ 0.00000 -0.00000 -0.00000 0.01178 -0.00000 281 3S 0.00333 -0.00171 0.00859 -0.00000 0.00048 282 3PX -0.00211 0.00455 -0.00031 0.00000 0.00015 283 3PY 0.00063 0.00012 0.00475 -0.00000 0.00030 284 3PZ -0.00000 0.00000 -0.00000 0.00926 -0.00000 285 4XX 0.00047 -0.00033 -0.00034 0.00000 -0.00001 286 4YY -0.00106 0.00040 0.00082 -0.00000 -0.00000 287 4ZZ 0.00016 -0.00018 -0.00009 0.00000 -0.00000 288 4XY 0.00032 -0.00008 -0.00031 0.00000 0.00001 289 4XZ -0.00000 0.00000 0.00000 -0.00106 -0.00000 290 4YZ 0.00000 -0.00000 -0.00000 -0.00048 0.00000 291 29 C 1S 0.00885 -0.00221 -0.00557 0.00000 0.00004 292 2S -0.01591 0.00233 0.01054 -0.00000 -0.00007 293 2PX 0.01478 -0.00781 -0.01306 0.00000 -0.00018 294 2PY -0.00337 -0.01238 0.01255 -0.00000 -0.00010 295 2PZ 0.00000 0.00000 -0.00000 -0.01435 0.00000 296 3S -0.02456 0.00588 0.00582 -0.00000 -0.00021 297 3PX 0.00588 -0.00801 0.00326 -0.00000 0.00006 298 3PY -0.00582 -0.00326 0.01240 -0.00000 0.00045 299 3PZ 0.00000 0.00000 -0.00000 -0.01044 -0.00000 300 4XX -0.00021 0.00006 -0.00045 0.00000 -0.00002 301 4YY 0.00096 -0.00013 -0.00025 0.00000 0.00002 302 4ZZ 0.00048 -0.00012 -0.00030 0.00000 0.00000 303 4XY 0.00074 -0.00006 -0.00046 0.00000 0.00002 304 4XZ -0.00000 0.00000 0.00000 0.00016 -0.00000 305 4YZ -0.00000 0.00000 0.00000 -0.00140 -0.00000 306 30 H 1S 0.00233 -0.00186 -0.00401 0.00000 -0.00011 307 2S 0.00429 0.00139 -0.00782 0.00000 -0.00009 308 31 H 1S -0.00205 0.00131 0.00111 -0.00000 -0.00009 309 2S -0.00401 0.00042 0.00437 -0.00000 -0.00006 310 32 H 1S 0.00378 -0.00094 -0.00249 0.00000 -0.00003 311 2S 0.00497 -0.00029 -0.00470 0.00000 -0.00009 312 33 H 1S 0.00728 -0.00325 -0.00445 0.00000 -0.00009 313 2S 0.00475 -0.00173 -0.00284 0.00000 -0.00017 314 34 H 1S -0.01710 0.00243 0.01563 -0.00000 0.00010 315 2S -0.02291 0.00373 0.01593 -0.00000 0.00029 141 142 143 144 145 141 4YY 0.00125 142 4ZZ 0.00024 0.00094 143 4XY -0.00011 -0.00013 0.00103 144 4XZ 0.00000 0.00000 -0.00000 0.00019 145 4YZ -0.00000 -0.00000 0.00000 -0.00004 0.00078 146 15 C 1S -0.00445 0.00186 0.00476 -0.00000 0.00000 147 2S 0.00728 -0.00429 -0.00949 0.00000 -0.00000 148 2PX 0.00853 -0.00215 0.00185 -0.00000 -0.00000 149 2PY 0.00590 0.00578 0.01125 -0.00000 -0.00000 150 2PZ -0.00000 -0.00000 -0.00000 -0.00562 0.01182 151 3S 0.00748 -0.00184 -0.00900 0.00000 -0.00000 152 3PX 0.00237 -0.00070 0.00002 -0.00000 -0.00000 153 3PY 0.00257 0.00127 0.00360 -0.00000 -0.00000 154 3PZ -0.00000 -0.00000 -0.00000 -0.00336 0.00814 155 4XX -0.00060 0.00006 0.00021 -0.00000 0.00000 156 4YY 0.00071 -0.00027 0.00015 -0.00000 -0.00000 157 4ZZ -0.00030 0.00029 0.00037 -0.00000 0.00000 158 4XY 0.00077 0.00040 0.00026 -0.00000 -0.00000 159 4XZ -0.00000 0.00000 -0.00000 0.00003 -0.00033 160 4YZ -0.00000 0.00000 -0.00000 0.00023 -0.00008 161 16 C 1S 0.00114 0.00010 0.00090 -0.00000 -0.00000 162 2S -0.00235 0.00014 -0.00163 0.00000 0.00000 163 2PX -0.00375 -0.00060 -0.00589 0.00000 0.00000 164 2PY -0.00055 -0.00005 0.00068 0.00000 -0.00000 165 2PZ -0.00000 -0.00000 0.00000 -0.00353 0.01044 166 3S -0.00358 -0.00037 -0.00143 0.00000 0.00000 167 3PX -0.00218 -0.00039 -0.00072 0.00000 0.00000 168 3PY -0.00104 0.00022 0.00119 0.00000 -0.00000 169 3PZ -0.00000 -0.00000 -0.00000 -0.00189 0.00691 170 4XX 0.00019 -0.00011 -0.00039 0.00000 -0.00000 171 4YY 0.00007 0.00001 0.00023 -0.00000 -0.00000 172 4ZZ 0.00003 0.00004 0.00014 -0.00000 0.00000 173 4XY 0.00023 0.00017 0.00043 -0.00000 -0.00000 174 4XZ -0.00000 -0.00000 -0.00000 -0.00020 0.00046 175 4YZ -0.00000 0.00000 -0.00000 0.00010 -0.00002 176 17 C 1S -0.00012 -0.00026 -0.00029 0.00000 0.00000 177 2S 0.00046 0.00026 0.00075 -0.00000 -0.00000 178 2PX -0.00032 -0.00001 0.00055 -0.00000 0.00000 179 2PY 0.00112 0.00061 0.00270 -0.00000 -0.00000 180 2PZ -0.00000 -0.00000 -0.00000 -0.00188 -0.00016 181 3S -0.00017 0.00123 0.00084 -0.00000 -0.00000 182 3PX -0.00068 0.00045 -0.00008 0.00000 0.00000 183 3PY 0.00071 0.00008 0.00261 -0.00000 -0.00000 184 3PZ -0.00000 0.00000 -0.00000 -0.00077 -0.00008 185 4XX -0.00021 -0.00004 -0.00002 0.00000 0.00000 186 4YY 0.00007 0.00002 -0.00003 0.00000 -0.00000 187 4ZZ 0.00001 0.00001 0.00002 0.00000 -0.00000 188 4XY -0.00000 0.00001 -0.00022 0.00000 -0.00000 189 4XZ -0.00000 -0.00000 0.00000 -0.00015 0.00003 190 4YZ -0.00000 -0.00000 0.00000 -0.00004 0.00066 191 18 C 1S 0.00083 0.00013 -0.00170 0.00000 -0.00000 192 2S -0.00190 -0.00004 0.00348 -0.00000 0.00000 193 2PX -0.00327 -0.00023 0.00884 -0.00000 0.00000 194 2PY -0.00052 -0.00086 0.00136 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 -0.00233 -0.01025 196 3S -0.00243 0.00032 0.00516 -0.00000 0.00000 197 3PX -0.00149 0.00009 0.00225 -0.00000 0.00000 198 3PY 0.00099 -0.00095 0.00119 -0.00000 0.00000 199 3PZ 0.00000 0.00000 -0.00000 -0.00116 -0.00717 200 4XX 0.00021 -0.00014 0.00033 -0.00000 -0.00000 201 4YY 0.00009 0.00003 -0.00030 0.00000 -0.00000 202 4ZZ 0.00000 0.00006 -0.00016 0.00000 -0.00000 203 4XY 0.00021 -0.00014 0.00001 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 -0.00015 -0.00036 205 4YZ -0.00000 -0.00000 0.00000 -0.00008 0.00010 206 19 H 1S 0.00131 0.00015 -0.00229 0.00000 -0.00000 207 2S 0.00273 -0.00059 -0.00246 0.00000 -0.00000 208 20 H 1S -0.00033 0.00001 -0.00009 0.00000 0.00000 209 2S -0.00130 -0.00002 -0.00024 0.00000 0.00000 210 21 H 1S -0.00023 -0.00013 0.00061 -0.00000 0.00000 211 2S 0.00047 -0.00044 -0.00028 0.00000 -0.00000 212 22 H 1S 0.00957 0.00082 0.00305 -0.00000 -0.00000 213 2S 0.00692 0.00133 0.00442 -0.00000 -0.00000 214 23 H 1S -0.01082 -0.00634 0.00505 -0.00000 0.00000 215 2S -0.00937 -0.00182 0.00367 -0.00000 0.00000 216 24 C 1S 0.00030 0.00010 -0.00022 0.00000 -0.00000 217 2S -0.00054 -0.00026 0.00052 -0.00000 0.00000 218 2PX -0.00038 -0.00024 0.00064 -0.00000 0.00000 219 2PY -0.00137 -0.00052 0.00140 -0.00000 0.00000 220 2PZ -0.00000 -0.00000 -0.00000 0.00048 0.00166 221 3S -0.00072 -0.00110 0.00170 -0.00000 0.00000 222 3PX -0.00043 -0.00047 0.00050 -0.00000 0.00000 223 3PY -0.00022 -0.00023 0.00103 -0.00000 -0.00000 224 3PZ -0.00000 -0.00000 -0.00000 0.00039 0.00150 225 4XX -0.00008 -0.00002 0.00009 -0.00000 0.00000 226 4YY 0.00010 0.00003 -0.00013 0.00000 0.00000 227 4ZZ 0.00003 0.00000 -0.00001 0.00000 0.00000 228 4XY -0.00007 -0.00003 0.00007 -0.00000 0.00000 229 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00010 230 4YZ 0.00000 0.00000 0.00000 -0.00002 -0.00024 231 25 C 1S 0.00021 -0.00001 -0.00016 0.00000 -0.00000 232 2S -0.00045 -0.00002 0.00037 -0.00000 0.00000 233 2PX 0.00019 0.00002 -0.00026 0.00000 -0.00000 234 2PY -0.00071 0.00004 0.00044 -0.00000 -0.00000 235 2PZ -0.00000 -0.00000 -0.00000 0.00033 0.00200 236 3S -0.00070 -0.00030 0.00052 -0.00000 0.00000 237 3PX -0.00004 0.00006 -0.00009 0.00000 -0.00000 238 3PY -0.00052 -0.00000 0.00023 -0.00000 0.00000 239 3PZ -0.00000 -0.00000 -0.00000 0.00015 0.00088 240 4XX -0.00000 -0.00001 0.00001 -0.00000 0.00000 241 4YY -0.00002 0.00000 0.00001 -0.00000 0.00000 242 4ZZ 0.00001 0.00000 -0.00000 0.00000 0.00000 243 4XY -0.00000 -0.00002 0.00002 -0.00000 -0.00000 244 4XZ -0.00000 -0.00000 -0.00000 0.00002 0.00007 245 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00005 246 26 C 1S -0.00004 0.00001 0.00000 0.00000 0.00000 247 2S 0.00012 -0.00005 -0.00001 0.00000 -0.00000 248 2PX -0.00015 0.00005 -0.00000 -0.00000 0.00000 249 2PY 0.00017 -0.00013 0.00010 -0.00000 -0.00000 250 2PZ -0.00000 0.00000 -0.00000 -0.00003 0.00004 251 3S -0.00000 0.00004 -0.00003 0.00000 -0.00000 252 3PX -0.00008 0.00004 0.00001 -0.00000 0.00000 253 3PY -0.00001 -0.00006 0.00002 -0.00000 -0.00000 254 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00028 255 4XX 0.00003 -0.00000 -0.00002 0.00000 -0.00000 256 4YY -0.00003 0.00001 0.00002 -0.00000 -0.00000 257 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 258 4XY 0.00001 -0.00000 -0.00000 0.00000 -0.00000 259 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00003 260 4YZ -0.00000 -0.00000 -0.00000 0.00002 0.00013 261 27 C 1S 0.00004 -0.00001 -0.00001 0.00000 -0.00000 262 2S -0.00009 0.00001 0.00003 -0.00000 0.00000 263 2PX 0.00011 -0.00008 -0.00001 0.00000 -0.00000 264 2PY -0.00024 0.00007 -0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 -0.00028 -0.00162 266 3S -0.00004 0.00001 0.00008 -0.00000 0.00000 267 3PX 0.00014 -0.00001 -0.00002 0.00000 -0.00000 268 3PY -0.00003 -0.00001 0.00001 0.00000 0.00000 269 3PZ 0.00000 0.00000 0.00000 -0.00020 -0.00133 270 4XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 271 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 273 4XY -0.00002 0.00000 0.00001 -0.00000 0.00000 274 4XZ 0.00000 0.00000 -0.00000 -0.00001 -0.00002 275 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 276 28 C 1S 0.00011 0.00002 -0.00009 0.00000 -0.00000 277 2S -0.00022 -0.00003 0.00019 -0.00000 0.00000 278 2PX -0.00019 0.00003 0.00016 -0.00000 0.00000 279 2PY -0.00076 0.00002 0.00038 -0.00000 0.00000 280 2PZ 0.00000 0.00000 -0.00000 -0.00020 -0.00072 281 3S -0.00062 -0.00006 0.00027 -0.00000 0.00000 282 3PX -0.00009 0.00008 0.00009 -0.00000 0.00000 283 3PY -0.00049 -0.00004 0.00020 -0.00000 0.00000 284 3PZ 0.00000 0.00000 -0.00000 -0.00017 -0.00066 285 4XX 0.00000 -0.00001 0.00001 -0.00000 -0.00000 286 4YY 0.00001 0.00001 -0.00003 0.00000 -0.00000 287 4ZZ 0.00001 0.00000 -0.00000 -0.00000 -0.00000 288 4XY -0.00002 -0.00000 0.00002 -0.00000 -0.00000 289 4XZ -0.00000 -0.00000 -0.00000 0.00001 0.00009 290 4YZ -0.00000 -0.00000 0.00000 0.00001 0.00006 291 29 C 1S -0.00008 -0.00010 0.00021 -0.00000 0.00000 292 2S 0.00019 0.00014 -0.00038 0.00000 -0.00000 293 2PX 0.00019 -0.00017 0.00021 -0.00000 -0.00000 294 2PY 0.00096 0.00015 -0.00081 0.00000 -0.00000 295 2PZ -0.00000 -0.00000 0.00000 0.00019 0.00158 296 3S 0.00096 0.00048 -0.00074 0.00000 -0.00000 297 3PX -0.00013 -0.00012 0.00006 -0.00000 0.00000 298 3PY 0.00025 0.00030 -0.00046 0.00000 -0.00000 299 3PZ -0.00000 -0.00000 0.00000 0.00016 0.00140 300 4XX 0.00002 0.00000 -0.00002 0.00000 -0.00000 301 4YY -0.00003 -0.00000 0.00004 -0.00000 -0.00000 302 4ZZ -0.00000 -0.00001 0.00001 -0.00000 -0.00000 303 4XY -0.00004 -0.00001 0.00005 -0.00000 0.00000 304 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00003 305 4YZ -0.00000 -0.00000 -0.00000 0.00003 0.00009 306 30 H 1S 0.00015 -0.00003 -0.00006 0.00000 -0.00000 307 2S 0.00004 -0.00004 0.00003 -0.00000 -0.00000 308 31 H 1S 0.00027 0.00002 -0.00015 0.00000 -0.00000 309 2S 0.00024 0.00003 -0.00024 0.00000 -0.00000 310 32 H 1S 0.00002 -0.00001 0.00004 -0.00000 -0.00000 311 2S 0.00003 -0.00002 0.00004 -0.00000 -0.00000 312 33 H 1S 0.00018 -0.00005 -0.00005 0.00000 -0.00000 313 2S 0.00018 -0.00004 -0.00009 0.00000 -0.00000 314 34 H 1S -0.00019 0.00005 -0.00003 0.00000 0.00000 315 2S -0.00019 0.00031 0.00023 -0.00000 -0.00000 146 147 148 149 150 146 15 C 1S 2.05309 147 2S -0.06400 0.33160 148 2PX -0.00142 -0.00179 0.42741 149 2PY -0.00273 0.00132 0.00653 0.42578 150 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.32817 151 3S -0.16855 0.25548 0.01171 0.01627 -0.00000 152 3PX -0.00292 0.01546 0.12839 0.01006 -0.00000 153 3PY -0.00336 0.02631 0.00542 0.13583 -0.00000 154 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.21267 155 4XX -0.01746 -0.00255 -0.01347 0.00582 -0.00000 156 4YY -0.01986 0.00156 0.01818 0.00106 0.00000 157 4ZZ -0.01136 -0.01600 -0.00064 -0.00029 0.00000 158 4XY -0.00247 0.00430 0.00384 0.01892 -0.00000 159 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00333 160 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00809 161 16 C 1S 0.01666 -0.03353 0.07964 -0.00324 0.00000 162 2S -0.03365 0.05814 -0.16707 0.01102 -0.00000 163 2PX -0.08041 0.16637 -0.32793 0.01690 -0.00000 164 2PY 0.00137 0.00280 0.00125 0.01523 -0.00000 165 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.20552 166 3S 0.00492 0.02358 -0.12433 -0.01826 0.00000 167 3PX -0.01030 0.03681 -0.09212 0.01560 -0.00000 168 3PY -0.00160 -0.00964 -0.02097 0.02579 -0.00000 169 3PZ 0.00000 0.00000 0.00000 -0.00000 0.12568 170 4XX -0.00708 0.01266 -0.00638 -0.00014 -0.00000 171 4YY 0.00329 -0.00789 0.01280 -0.00124 0.00000 172 4ZZ 0.00192 -0.00439 0.00606 0.00051 0.00000 173 4XY 0.00014 -0.00071 0.00269 0.01408 -0.00000 174 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.01318 175 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00092 176 17 C 1S -0.00364 0.00971 -0.01287 -0.00696 0.00000 177 2S 0.00971 -0.02301 0.03589 0.01726 -0.00000 178 2PX 0.01246 -0.03289 0.03618 0.01051 -0.00000 179 2PY 0.00767 -0.02245 0.03375 0.01062 0.00000 180 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.01355 181 3S -0.00285 -0.01626 0.01352 0.05692 -0.00000 182 3PX -0.00161 -0.00912 -0.00918 0.01057 -0.00000 183 3PY 0.00711 -0.01707 0.03605 0.02888 -0.00000 184 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.02142 185 4XX -0.00198 0.00473 -0.01027 -0.00173 0.00000 186 4YY 0.00102 -0.00215 0.00309 0.00019 -0.00000 187 4ZZ 0.00017 -0.00001 0.00059 0.00034 -0.00000 188 4XY -0.00142 0.00289 -0.00771 -0.00111 -0.00000 189 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00289 190 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.01058 191 18 C 1S -0.00371 0.00676 -0.00527 -0.00745 0.00000 192 2S 0.00732 -0.01578 0.00876 0.01913 -0.00000 193 2PX 0.00412 -0.00891 -0.01712 0.02467 -0.00000 194 2PY 0.00892 -0.01956 0.02732 0.01319 0.00000 195 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.12114 196 3S 0.01997 -0.02598 0.05932 0.02950 -0.00000 197 3PX 0.00018 0.00351 -0.01474 0.00341 -0.00000 198 3PY 0.00955 -0.01055 0.01527 0.00135 0.00000 199 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.09778 200 4XX -0.00036 0.00092 -0.00236 0.00089 -0.00000 201 4YY 0.00005 -0.00040 0.00238 -0.00164 0.00000 202 4ZZ -0.00026 0.00026 -0.00052 0.00031 -0.00000 203 4XY -0.00018 0.00018 -0.00049 -0.00078 0.00000 204 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00108 205 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00155 206 19 H 1S -0.00208 0.00453 0.00079 -0.00830 0.00000 207 2S -0.00439 0.01094 -0.01264 -0.01259 0.00000 208 20 H 1S -0.00840 0.02044 -0.03491 -0.00294 0.00000 209 2S -0.01208 0.02644 -0.06262 -0.01083 0.00000 210 21 H 1S 0.01273 -0.02685 0.04297 -0.02219 0.00000 211 2S 0.01387 -0.02378 0.07455 -0.04499 0.00000 212 22 H 1S -0.06196 0.11878 0.14759 0.22569 -0.00000 213 2S -0.01383 0.02689 0.12022 0.17755 -0.00000 214 23 H 1S 0.01309 -0.03015 -0.03621 0.02197 -0.00000 215 2S 0.01383 -0.02502 -0.05818 0.03371 -0.00000 216 24 C 1S -0.00075 0.00161 0.00113 -0.00352 0.00000 217 2S 0.00143 -0.00313 -0.00066 0.00664 -0.00000 218 2PX 0.00146 -0.00209 -0.00207 0.00665 -0.00000 219 2PY 0.00307 -0.00684 -0.00474 0.01239 -0.00000 220 2PZ -0.00000 0.00000 0.00000 -0.00000 0.01235 221 3S 0.00688 -0.01323 -0.03179 0.02842 -0.00000 222 3PX 0.00255 -0.00573 -0.00284 -0.00173 0.00000 223 3PY 0.00760 -0.01399 -0.03313 0.03400 -0.00000 224 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00941 225 4XX 0.00006 -0.00022 -0.00033 0.00073 -0.00000 226 4YY -0.00006 0.00030 -0.00019 -0.00095 0.00000 227 4ZZ -0.00003 0.00008 0.00025 -0.00020 0.00000 228 4XY 0.00020 -0.00038 -0.00053 0.00083 -0.00000 229 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00083 230 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00183 231 25 C 1S -0.00025 0.00063 0.00010 -0.00091 0.00000 232 2S 0.00057 -0.00149 0.00035 0.00216 -0.00000 233 2PX -0.00054 0.00042 -0.00070 -0.00046 0.00000 234 2PY 0.00091 -0.00295 0.00006 0.00306 -0.00000 235 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.01558 236 3S 0.00041 -0.00193 -0.01087 0.00320 -0.00000 237 3PX 0.00099 -0.00245 0.01028 -0.00741 0.00000 238 3PY -0.00087 0.00187 0.01141 -0.01001 0.00000 239 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00450 240 4XX 0.00005 -0.00011 0.00027 -0.00009 0.00000 241 4YY -0.00003 0.00003 -0.00031 0.00011 0.00000 242 4ZZ -0.00001 0.00003 0.00006 0.00001 0.00000 243 4XY -0.00001 0.00002 -0.00008 0.00009 -0.00000 244 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00055 245 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00057 246 26 C 1S 0.00002 -0.00025 0.00005 0.00014 -0.00000 247 2S -0.00011 0.00046 -0.00078 0.00022 -0.00000 248 2PX -0.00003 -0.00006 0.00014 -0.00006 0.00000 249 2PY 0.00004 0.00086 -0.00054 0.00023 -0.00000 250 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00145 251 3S -0.00021 0.00144 0.01408 -0.01052 0.00000 252 3PX -0.00015 0.00070 0.00387 -0.00292 0.00000 253 3PY -0.00005 0.00044 0.00562 -0.00511 0.00000 254 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00455 255 4XX -0.00004 0.00011 0.00001 -0.00010 0.00000 256 4YY 0.00007 -0.00014 0.00022 0.00002 -0.00000 257 4ZZ -0.00001 -0.00002 -0.00008 0.00009 -0.00000 258 4XY -0.00003 0.00009 0.00004 -0.00011 -0.00000 259 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00022 260 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00108 261 27 C 1S -0.00005 0.00016 0.00005 -0.00023 0.00000 262 2S 0.00015 -0.00041 0.00037 0.00023 -0.00000 263 2PX 0.00002 0.00040 -0.00001 0.00021 -0.00000 264 2PY 0.00012 -0.00078 0.00039 0.00032 0.00000 265 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.01305 266 3S 0.00038 -0.00120 -0.00420 0.00493 -0.00000 267 3PX 0.00007 -0.00004 -0.00366 0.00397 -0.00000 268 3PY 0.00016 -0.00065 -0.00305 0.00218 0.00000 269 3PZ -0.00000 0.00000 0.00000 0.00000 -0.01122 270 4XX 0.00001 -0.00002 -0.00004 0.00009 -0.00000 271 4YY -0.00003 0.00005 -0.00003 -0.00005 -0.00000 272 4ZZ 0.00001 -0.00001 0.00007 -0.00004 -0.00000 273 4XY 0.00003 -0.00007 -0.00004 0.00013 0.00000 274 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00024 275 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00005 276 28 C 1S -0.00016 0.00044 0.00020 -0.00068 0.00000 277 2S 0.00044 -0.00112 -0.00091 0.00224 -0.00000 278 2PX 0.00020 -0.00091 -0.00051 0.00108 -0.00000 279 2PY 0.00068 -0.00224 -0.00108 0.00320 0.00000 280 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00652 281 3S -0.00073 0.00093 0.00737 -0.00389 0.00000 282 3PX 0.00030 -0.00084 -0.00296 0.00535 -0.00000 283 3PY -0.00038 0.00024 0.00342 -0.00175 0.00000 284 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00584 285 4XX 0.00002 -0.00004 -0.00001 0.00007 -0.00000 286 4YY -0.00009 0.00016 0.00022 -0.00040 -0.00000 287 4ZZ 0.00001 -0.00000 -0.00004 0.00007 -0.00000 288 4XY 0.00001 -0.00005 -0.00004 0.00008 -0.00000 289 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00069 290 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00046 291 29 C 1S 0.00036 -0.00069 -0.00061 0.00161 -0.00000 292 2S -0.00081 0.00158 0.00171 -0.00415 0.00000 293 2PX 0.00026 -0.00029 -0.00065 0.00154 -0.00000 294 2PY -0.00134 0.00387 0.00250 -0.00618 -0.00000 295 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.01215 296 3S 0.00082 -0.00039 -0.00985 0.00754 -0.00000 297 3PX -0.00219 0.00373 0.01109 -0.00833 0.00000 298 3PY -0.00066 0.00178 -0.00149 0.00212 -0.00000 299 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.01178 300 4XX -0.00003 0.00006 -0.00005 -0.00022 0.00000 301 4YY 0.00011 -0.00022 -0.00019 0.00076 -0.00000 302 4ZZ 0.00002 -0.00003 0.00003 -0.00002 -0.00000 303 4XY 0.00009 -0.00019 -0.00016 0.00038 -0.00000 304 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00020 305 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00072 306 30 H 1S -0.00015 0.00036 0.00007 -0.00087 0.00000 307 2S 0.00134 -0.00234 -0.00788 0.00426 -0.00000 308 31 H 1S -0.00027 0.00073 0.00051 -0.00141 0.00000 309 2S -0.00063 0.00143 0.00211 -0.00397 0.00000 310 32 H 1S 0.00003 0.00002 -0.00043 0.00030 -0.00000 311 2S 0.00004 -0.00005 -0.00182 0.00140 -0.00000 312 33 H 1S -0.00009 0.00040 -0.00018 -0.00016 0.00000 313 2S -0.00031 0.00084 0.00001 -0.00077 0.00000 314 34 H 1S 0.00023 -0.00091 0.00079 0.00046 -0.00000 315 2S 0.00278 -0.00629 0.01057 0.00255 -0.00000 151 152 153 154 155 151 3S 0.24394 152 3PX 0.01607 0.04483 153 3PY 0.01256 0.00204 0.05335 154 3PZ -0.00000 0.00000 -0.00000 0.13913 155 4XX -0.00219 -0.00314 0.00078 -0.00000 0.00122 156 4YY 0.00297 0.00502 0.00089 0.00000 -0.00065 157 4ZZ -0.01126 -0.00117 -0.00116 0.00000 0.00018 158 4XY 0.00624 0.00189 0.00566 -0.00000 -0.00005 159 4XZ -0.00000 -0.00000 -0.00000 -0.00200 0.00000 160 4YZ 0.00000 -0.00000 0.00000 -0.00506 0.00000 161 16 C 1S 0.00549 0.01058 -0.00135 0.00000 -0.00695 162 2S 0.02426 -0.03815 -0.00848 0.00000 0.01271 163 2PX 0.12724 -0.09121 0.02279 -0.00000 0.00659 164 2PY -0.03847 -0.01228 0.02821 -0.00000 -0.00236 165 2PZ 0.00000 0.00000 -0.00000 0.12865 0.00000 166 3S -0.01416 -0.02724 -0.01347 0.00000 0.01026 167 3PX 0.02038 -0.02269 0.01108 -0.00000 0.00232 168 3PY -0.01623 -0.00834 0.01005 -0.00000 0.00142 169 3PZ 0.00000 0.00000 -0.00000 0.07933 -0.00000 170 4XX 0.01072 -0.00214 0.00165 -0.00000 -0.00011 171 4YY -0.00831 0.00434 -0.00109 0.00000 -0.00015 172 4ZZ -0.00220 0.00123 0.00043 0.00000 -0.00047 173 4XY 0.00262 0.00108 0.00386 -0.00000 0.00013 174 4XZ -0.00000 -0.00000 -0.00000 0.00873 -0.00000 175 4YZ 0.00000 -0.00000 0.00000 -0.00011 0.00000 176 17 C 1S -0.00285 -0.00535 0.00495 -0.00000 -0.00080 177 2S -0.01626 0.01935 -0.00064 0.00000 0.00174 178 2PX -0.05605 0.03955 -0.01757 0.00000 0.00399 179 2PY 0.01675 0.00791 -0.01985 0.00000 0.00466 180 2PZ -0.00000 -0.00000 0.00000 -0.02142 -0.00000 181 3S 0.00784 0.01035 0.00709 -0.00000 0.00277 182 3PX -0.01131 0.00662 -0.00610 0.00000 0.00219 183 3PY -0.00541 0.01153 0.00349 0.00000 0.00077 184 3PZ 0.00000 -0.00000 0.00000 -0.02147 -0.00000 185 4XX 0.00430 -0.00404 0.00088 -0.00000 0.00004 186 4YY -0.00235 0.00135 -0.00086 -0.00000 0.00015 187 4ZZ 0.00010 -0.00018 0.00025 -0.00000 -0.00013 188 4XY 0.00461 -0.00235 -0.00144 0.00000 0.00041 189 4XZ -0.00000 0.00000 0.00000 0.00142 -0.00000 190 4YZ 0.00000 -0.00000 -0.00000 0.00725 -0.00000 191 18 C 1S 0.02554 -0.00734 -0.01087 0.00000 -0.00029 192 2S -0.03914 0.00911 0.01589 -0.00000 0.00080 193 2PX -0.03083 -0.00877 0.01811 -0.00000 0.00280 194 2PY -0.06176 0.02406 0.00961 0.00000 -0.00134 195 2PZ 0.00000 -0.00000 0.00000 -0.09540 0.00000 196 3S -0.06029 0.02441 0.02135 -0.00000 0.00094 197 3PX -0.00558 -0.00733 0.00333 -0.00000 0.00171 198 3PY -0.03016 0.00810 0.00604 0.00000 -0.00176 199 3PZ 0.00000 -0.00000 0.00000 -0.07407 0.00000 200 4XX 0.00093 -0.00188 0.00143 -0.00000 -0.00017 201 4YY 0.00063 0.00158 -0.00172 0.00000 0.00007 202 4ZZ 0.00123 -0.00029 -0.00035 -0.00000 0.00001 203 4XY 0.00136 -0.00099 -0.00040 0.00000 -0.00015 204 4XZ -0.00000 0.00000 0.00000 0.00046 0.00000 205 4YZ -0.00000 -0.00000 0.00000 0.00063 -0.00000 206 19 H 1S 0.02612 -0.00577 -0.00660 0.00000 -0.00032 207 2S 0.03122 -0.01145 -0.00857 0.00000 -0.00117 208 20 H 1S 0.03285 -0.02442 0.01132 -0.00000 -0.00126 209 2S 0.03145 -0.03074 0.00799 -0.00000 -0.00037 210 21 H 1S -0.05397 0.00976 -0.00431 0.00000 0.00086 211 2S -0.04446 0.01890 -0.00837 0.00000 -0.00274 212 22 H 1S 0.11028 0.05420 0.08073 -0.00000 -0.00256 213 2S 0.03753 0.04076 0.05619 -0.00000 -0.00200 214 23 H 1S -0.04522 0.00096 -0.00001 0.00000 0.00933 215 2S -0.03340 -0.00469 0.00383 -0.00000 0.00852 216 24 C 1S 0.00287 0.00084 -0.00234 0.00000 0.00007 217 2S -0.00614 -0.00039 0.00499 -0.00000 -0.00017 218 2PX -0.02325 0.00389 0.01280 -0.00000 -0.00001 219 2PY -0.00639 0.00266 0.00620 -0.00000 -0.00042 220 2PZ 0.00000 -0.00000 -0.00000 0.01179 0.00000 221 3S -0.01045 -0.00616 0.00922 -0.00000 0.00005 222 3PX 0.00269 -0.00217 -0.00336 0.00000 -0.00012 223 3PY -0.00732 -0.00737 0.00863 -0.00000 0.00067 224 3PZ 0.00000 0.00000 -0.00000 0.00913 -0.00000 225 4XX -0.00030 -0.00039 0.00027 -0.00000 0.00001 226 4YY 0.00045 0.00028 -0.00043 0.00000 0.00000 227 4ZZ 0.00025 0.00003 -0.00018 0.00000 0.00000 228 4XY -0.00081 0.00022 0.00056 -0.00000 -0.00002 229 4XZ 0.00000 -0.00000 -0.00000 -0.00069 0.00000 230 4YZ -0.00000 -0.00000 0.00000 -0.00144 -0.00000 231 25 C 1S 0.00104 0.00103 0.00002 0.00000 -0.00001 232 2S -0.00184 -0.00232 0.00004 -0.00000 0.00004 233 2PX 0.01712 -0.00283 -0.00729 0.00000 -0.00006 234 2PY 0.00646 -0.01348 -0.00247 -0.00000 0.00026 235 2PZ -0.00000 0.00000 -0.00000 0.01345 -0.00000 236 3S 0.00134 -0.00673 -0.00226 0.00000 -0.00005 237 3PX 0.01224 -0.00045 -0.00759 0.00000 -0.00005 238 3PY 0.00377 -0.00236 -0.00326 0.00000 -0.00008 239 3PZ -0.00000 0.00000 -0.00000 0.00465 0.00000 240 4XX -0.00005 -0.00001 -0.00006 0.00000 -0.00001 241 4YY -0.00023 -0.00014 0.00013 0.00000 0.00001 242 4ZZ -0.00015 0.00023 0.00010 0.00000 0.00000 243 4XY -0.00016 0.00083 0.00018 -0.00000 -0.00003 244 4XZ 0.00000 -0.00000 -0.00000 0.00050 0.00000 245 4YZ 0.00000 0.00000 0.00000 -0.00041 -0.00000 246 26 C 1S 0.00250 -0.00207 -0.00113 0.00000 0.00003 247 2S -0.00375 0.00384 0.00189 -0.00000 -0.00006 248 2PX -0.00025 -0.00011 -0.00096 0.00000 -0.00005 249 2PY -0.01414 0.01093 0.00614 -0.00000 -0.00016 250 2PZ 0.00000 -0.00000 -0.00000 0.00087 0.00000 251 3S -0.00015 0.00708 -0.00118 0.00000 -0.00006 252 3PX 0.00058 0.00052 -0.00077 0.00000 0.00001 253 3PY -0.00161 0.00385 -0.00012 -0.00000 -0.00017 254 3PZ 0.00000 -0.00000 -0.00000 0.00310 0.00000 255 4XX 0.00018 0.00021 -0.00002 0.00000 -0.00000 256 4YY -0.00015 -0.00032 -0.00000 -0.00000 0.00001 257 4ZZ 0.00014 -0.00014 -0.00005 -0.00000 0.00000 258 4XY -0.00017 0.00039 0.00005 -0.00000 -0.00001 259 4XZ 0.00000 -0.00000 -0.00000 0.00017 0.00000 260 4YZ 0.00000 0.00000 -0.00000 0.00091 -0.00000 261 27 C 1S -0.00047 0.00113 0.00007 -0.00000 -0.00002 262 2S 0.00048 -0.00196 -0.00007 -0.00000 0.00004 263 2PX -0.00758 0.00465 0.00351 -0.00000 -0.00007 264 2PY 0.00557 -0.00561 -0.00287 0.00000 0.00006 265 2PZ -0.00000 0.00000 0.00000 -0.01120 -0.00000 266 3S 0.00002 -0.00239 0.00093 -0.00000 0.00000 267 3PX -0.00372 0.00238 0.00249 -0.00000 0.00002 268 3PY 0.00256 -0.00256 -0.00101 0.00000 -0.00002 269 3PZ -0.00000 0.00000 0.00000 -0.00938 0.00000 270 4XX -0.00010 0.00004 0.00008 -0.00000 0.00000 271 4YY 0.00003 0.00013 -0.00003 0.00000 -0.00001 272 4ZZ -0.00003 0.00005 0.00000 -0.00000 0.00000 273 4XY -0.00015 0.00003 0.00007 0.00000 -0.00000 274 4XZ 0.00000 -0.00000 0.00000 -0.00021 0.00000 275 4YZ -0.00000 -0.00000 0.00000 0.00003 0.00000 276 28 C 1S -0.00073 0.00030 0.00038 -0.00000 0.00002 277 2S 0.00093 -0.00084 -0.00024 0.00000 -0.00004 278 2PX 0.00737 -0.00296 -0.00342 0.00000 -0.00001 279 2PY 0.00389 -0.00535 -0.00175 0.00000 -0.00007 280 2PZ -0.00000 0.00000 0.00000 -0.00584 0.00000 281 3S -0.00465 -0.00024 0.00175 -0.00000 -0.00009 282 3PX -0.00024 -0.00087 0.00124 -0.00000 0.00009 283 3PY -0.00175 -0.00124 0.00044 0.00000 -0.00007 284 3PZ 0.00000 0.00000 0.00000 -0.00508 0.00000 285 4XX -0.00009 0.00009 0.00007 -0.00000 -0.00000 286 4YY 0.00026 -0.00010 -0.00022 -0.00000 0.00000 287 4ZZ -0.00009 0.00005 0.00007 -0.00000 0.00000 288 4XY -0.00003 0.00002 0.00002 -0.00000 -0.00001 289 4XZ 0.00000 -0.00000 -0.00000 0.00058 0.00000 290 4YZ -0.00000 0.00000 -0.00000 0.00037 -0.00000 291 29 C 1S -0.00175 0.00131 0.00149 -0.00000 -0.00002 292 2S 0.00302 -0.00196 -0.00279 0.00000 0.00005 293 2PX -0.00148 0.00481 0.00133 -0.00000 -0.00011 294 2PY -0.00827 0.00280 0.00303 -0.00000 0.00022 295 2PZ 0.00000 -0.00000 -0.00000 0.00997 -0.00000 296 3S 0.00333 -0.00211 -0.00063 0.00000 0.00047 297 3PX -0.00171 0.00455 -0.00011 0.00000 -0.00033 298 3PY -0.00859 0.00031 0.00475 -0.00000 0.00034 299 3PZ 0.00000 -0.00000 -0.00000 0.00926 -0.00000 300 4XX 0.00048 0.00015 -0.00030 0.00000 -0.00001 301 4YY -0.00062 -0.00009 0.00049 -0.00000 0.00000 302 4ZZ -0.00006 0.00008 0.00004 -0.00000 -0.00001 303 4XY -0.00027 -0.00009 0.00020 -0.00000 -0.00001 304 4XZ 0.00000 0.00000 -0.00000 -0.00017 0.00000 305 4YZ 0.00000 0.00000 -0.00000 0.00066 -0.00000 306 30 H 1S 0.00150 0.00174 -0.00088 0.00000 -0.00001 307 2S 0.00021 -0.00096 0.00012 -0.00000 0.00016 308 31 H 1S 0.00107 0.00097 -0.00070 0.00000 0.00004 309 2S 0.00106 0.00060 -0.00126 0.00000 0.00003 310 32 H 1S -0.00062 0.00092 0.00051 -0.00000 -0.00001 311 2S -0.00064 0.00122 0.00063 -0.00000 -0.00004 312 33 H 1S -0.00082 0.00204 0.00112 -0.00000 0.00000 313 2S 0.00112 0.00079 0.00021 -0.00000 -0.00001 314 34 H 1S 0.00235 -0.00851 -0.00056 0.00000 0.00013 315 2S -0.00122 -0.00307 -0.00096 0.00000 0.00033 156 157 158 159 160 156 4YY 0.00126 157 4ZZ 0.00002 0.00091 158 4XY 0.00034 -0.00022 0.00169 159 4XZ -0.00000 0.00000 -0.00000 0.00050 160 4YZ -0.00000 -0.00000 -0.00000 -0.00012 0.00035 161 16 C 1S 0.00304 0.00186 0.00050 -0.00000 -0.00000 162 2S -0.00754 -0.00428 -0.00067 0.00000 0.00000 163 2PX -0.01298 -0.00620 -0.00010 0.00000 0.00000 164 2PY 0.00061 0.00107 -0.01433 0.00000 -0.00000 165 2PZ 0.00000 0.00000 0.00000 -0.01080 -0.00165 166 3S -0.00658 -0.00243 -0.00368 0.00000 0.00000 167 3PX -0.00420 -0.00139 -0.00022 0.00000 0.00000 168 3PY -0.00096 0.00060 -0.00406 0.00000 0.00000 169 3PZ 0.00000 -0.00000 0.00000 -0.00694 -0.00065 170 4XX -0.00013 -0.00048 -0.00002 0.00000 0.00000 171 4YY 0.00050 0.00027 -0.00013 -0.00000 -0.00000 172 4ZZ 0.00026 0.00029 0.00005 -0.00000 -0.00000 173 4XY 0.00011 0.00001 0.00124 -0.00000 0.00000 174 4XZ 0.00000 0.00000 -0.00000 0.00005 -0.00037 175 4YZ -0.00000 -0.00000 -0.00000 0.00039 -0.00005 176 17 C 1S -0.00016 0.00017 -0.00221 0.00000 -0.00000 177 2S 0.00084 -0.00001 0.00488 -0.00000 -0.00000 178 2PX 0.00094 -0.00059 0.00658 -0.00000 -0.00000 179 2PY 0.00079 -0.00034 0.00837 -0.00000 -0.00000 180 2PZ -0.00000 -0.00000 -0.00000 -0.01061 0.00279 181 3S -0.00082 0.00010 0.00563 -0.00000 0.00000 182 3PX -0.00085 -0.00012 0.00181 -0.00000 0.00000 183 3PY 0.00157 0.00028 0.00343 0.00000 -0.00000 184 3PZ -0.00000 -0.00000 0.00000 -0.00698 0.00239 185 4XX -0.00043 -0.00012 -0.00026 0.00000 0.00000 186 4YY 0.00014 0.00003 -0.00004 0.00000 -0.00000 187 4ZZ 0.00003 0.00005 -0.00015 0.00000 0.00000 188 4XY -0.00032 -0.00016 0.00032 -0.00000 0.00000 189 4XZ 0.00000 0.00000 -0.00000 -0.00027 -0.00006 190 4YZ -0.00000 0.00000 0.00000 -0.00025 -0.00009 191 18 C 1S 0.00010 -0.00036 0.00020 -0.00000 0.00000 192 2S -0.00050 0.00044 -0.00068 0.00000 0.00000 193 2PX -0.00225 -0.00001 0.00007 0.00000 0.00000 194 2PY 0.00165 0.00010 -0.00056 0.00000 -0.00000 195 2PZ -0.00000 -0.00000 0.00000 -0.00273 0.00087 196 3S 0.00083 0.00059 0.00015 -0.00000 -0.00000 197 3PX -0.00132 -0.00049 0.00142 -0.00000 0.00000 198 3PY 0.00190 0.00021 -0.00013 0.00000 -0.00000 199 3PZ -0.00000 -0.00000 0.00000 -0.00179 0.00115 200 4XX 0.00007 0.00001 -0.00009 0.00000 -0.00000 201 4YY 0.00008 -0.00004 0.00033 0.00000 -0.00000 202 4ZZ -0.00004 0.00001 -0.00002 0.00000 -0.00000 203 4XY 0.00028 -0.00002 0.00021 -0.00000 -0.00000 204 4XZ 0.00000 0.00000 -0.00000 0.00045 -0.00032 205 4YZ -0.00000 -0.00000 -0.00000 -0.00039 0.00006 206 19 H 1S 0.00068 0.00004 0.00103 -0.00000 -0.00000 207 2S 0.00164 -0.00039 0.00251 -0.00000 -0.00000 208 20 H 1S -0.00142 0.00003 -0.00247 0.00000 0.00000 209 2S -0.00267 -0.00023 -0.00332 0.00000 0.00000 210 21 H 1S 0.00166 0.00080 -0.00891 0.00000 -0.00000 211 2S 0.00319 0.00104 -0.00748 0.00000 -0.00000 212 22 H 1S 0.00823 -0.00592 0.01440 -0.00000 -0.00000 213 2S 0.00674 -0.00178 0.01181 -0.00000 -0.00000 214 23 H 1S -0.00519 0.00020 -0.00687 0.00000 0.00000 215 2S -0.00661 0.00042 -0.00335 0.00000 0.00000 216 24 C 1S -0.00022 -0.00004 -0.00018 0.00000 0.00000 217 2S 0.00053 0.00009 0.00038 -0.00000 -0.00000 218 2PX 0.00000 0.00021 0.00027 -0.00000 -0.00000 219 2PY 0.00119 0.00015 0.00057 0.00000 -0.00000 220 2PZ -0.00000 -0.00000 0.00000 -0.00175 0.00126 221 3S 0.00070 0.00040 0.00066 -0.00000 -0.00000 222 3PX 0.00060 0.00009 0.00014 -0.00000 -0.00000 223 3PY -0.00045 0.00062 0.00028 0.00000 -0.00000 224 3PZ -0.00000 -0.00000 0.00000 -0.00141 0.00098 225 4XX 0.00002 -0.00000 0.00001 -0.00000 -0.00000 226 4YY -0.00006 0.00000 -0.00003 -0.00000 0.00000 227 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 228 4XY 0.00005 0.00002 0.00003 -0.00000 -0.00000 229 4XZ -0.00000 0.00000 -0.00000 0.00005 -0.00001 230 4YZ 0.00000 0.00000 -0.00000 0.00013 -0.00004 231 25 C 1S -0.00003 0.00001 0.00008 -0.00000 0.00000 232 2S 0.00006 -0.00004 -0.00016 0.00000 -0.00000 233 2PX 0.00030 -0.00008 0.00023 -0.00000 -0.00000 234 2PY 0.00001 -0.00012 -0.00026 0.00000 -0.00000 235 2PZ -0.00000 -0.00000 0.00000 -0.00136 0.00073 236 3S 0.00002 -0.00011 -0.00062 0.00000 0.00000 237 3PX 0.00050 0.00003 0.00034 -0.00000 -0.00000 238 3PY 0.00029 -0.00021 -0.00009 0.00000 -0.00000 239 3PZ -0.00000 -0.00000 0.00000 -0.00088 0.00050 240 4XX 0.00001 0.00000 -0.00001 0.00000 -0.00000 241 4YY -0.00002 -0.00000 -0.00001 0.00000 0.00000 242 4ZZ -0.00001 0.00000 0.00000 0.00000 -0.00000 243 4XY 0.00004 0.00001 0.00003 0.00000 -0.00000 244 4XZ -0.00000 -0.00000 0.00000 -0.00007 0.00005 245 4YZ 0.00000 -0.00000 0.00000 -0.00002 0.00002 246 26 C 1S 0.00001 -0.00003 -0.00002 0.00000 0.00000 247 2S -0.00003 0.00004 0.00003 -0.00000 0.00000 248 2PX 0.00010 -0.00002 0.00004 -0.00000 -0.00000 249 2PY -0.00007 0.00013 0.00006 -0.00000 0.00000 250 2PZ 0.00000 0.00000 -0.00000 0.00052 -0.00036 251 3S 0.00028 0.00000 0.00034 -0.00000 -0.00000 252 3PX 0.00009 -0.00004 0.00013 -0.00000 -0.00000 253 3PY 0.00026 0.00000 0.00017 -0.00000 -0.00000 254 3PZ 0.00000 0.00000 -0.00000 0.00034 -0.00028 255 4XX 0.00000 0.00000 0.00001 -0.00000 -0.00000 256 4YY -0.00000 -0.00000 -0.00001 0.00000 -0.00000 257 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 258 4XY 0.00000 0.00000 0.00001 -0.00000 -0.00000 259 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 260 4YZ -0.00000 -0.00000 0.00000 -0.00010 0.00005 261 27 C 1S 0.00001 0.00001 0.00000 -0.00000 -0.00000 262 2S -0.00000 -0.00001 -0.00001 0.00000 0.00000 263 2PX -0.00006 0.00005 0.00005 -0.00000 0.00000 264 2PY 0.00008 -0.00007 -0.00004 -0.00000 0.00000 265 2PZ 0.00000 0.00000 -0.00000 0.00166 -0.00094 266 3S -0.00005 0.00002 -0.00010 0.00000 0.00000 267 3PX -0.00015 0.00006 -0.00001 0.00000 0.00000 268 3PY 0.00003 -0.00002 -0.00006 -0.00000 0.00000 269 3PZ 0.00000 0.00000 -0.00000 0.00122 -0.00065 270 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 271 4YY 0.00001 -0.00000 0.00001 -0.00000 0.00000 272 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 273 4XY 0.00001 0.00000 0.00001 -0.00000 -0.00000 274 4XZ 0.00000 0.00000 -0.00000 0.00001 -0.00001 275 4YZ 0.00000 0.00000 -0.00000 0.00002 -0.00001 276 28 C 1S -0.00009 0.00001 -0.00001 0.00000 0.00000 277 2S 0.00016 -0.00000 0.00005 -0.00000 -0.00000 278 2PX 0.00022 -0.00004 0.00004 -0.00000 -0.00000 279 2PY 0.00040 -0.00007 0.00008 -0.00000 -0.00000 280 2PZ 0.00000 0.00000 -0.00000 0.00069 -0.00046 281 3S 0.00026 -0.00009 0.00003 -0.00000 -0.00000 282 3PX -0.00010 0.00005 -0.00002 0.00000 0.00000 283 3PY 0.00022 -0.00007 0.00002 -0.00000 0.00000 284 3PZ 0.00000 0.00000 -0.00000 0.00058 -0.00037 285 4XX 0.00000 0.00000 0.00001 -0.00000 -0.00000 286 4YY -0.00001 -0.00001 -0.00001 0.00000 -0.00000 287 4ZZ -0.00001 0.00000 0.00000 0.00000 -0.00000 288 4XY 0.00001 -0.00000 0.00000 0.00000 -0.00000 289 4XZ -0.00000 -0.00000 0.00000 -0.00008 0.00004 290 4YZ -0.00000 -0.00000 0.00000 -0.00004 0.00002 291 29 C 1S 0.00010 0.00003 0.00007 -0.00000 -0.00000 292 2S -0.00020 -0.00008 -0.00016 0.00000 0.00000 293 2PX 0.00012 0.00006 0.00014 -0.00000 -0.00000 294 2PY -0.00081 0.00004 -0.00025 0.00000 0.00000 295 2PZ 0.00000 -0.00000 0.00000 -0.00129 0.00064 296 3S -0.00106 0.00016 -0.00032 0.00000 0.00000 297 3PX 0.00040 -0.00018 0.00008 -0.00000 -0.00000 298 3PY -0.00082 0.00009 -0.00031 0.00000 0.00000 299 3PZ 0.00000 -0.00000 0.00000 -0.00106 0.00048 300 4XX -0.00000 -0.00000 -0.00001 0.00000 0.00000 301 4YY 0.00001 0.00001 0.00002 0.00000 -0.00000 302 4ZZ 0.00001 0.00000 0.00000 0.00000 -0.00000 303 4XY 0.00003 0.00000 0.00002 -0.00000 -0.00000 304 4XZ -0.00000 0.00000 -0.00000 0.00001 -0.00001 305 4YZ -0.00000 -0.00000 0.00000 -0.00009 0.00006 306 30 H 1S -0.00002 -0.00000 -0.00002 0.00000 0.00000 307 2S -0.00020 0.00014 -0.00001 0.00000 0.00000 308 31 H 1S -0.00012 0.00001 -0.00005 0.00000 0.00000 309 2S -0.00013 -0.00003 -0.00009 0.00000 0.00000 310 32 H 1S 0.00001 0.00002 0.00003 -0.00000 -0.00000 311 2S 0.00003 0.00002 0.00005 -0.00000 -0.00000 312 33 H 1S -0.00006 0.00003 0.00004 -0.00000 0.00000 313 2S -0.00001 -0.00001 0.00009 -0.00000 0.00000 314 34 H 1S 0.00004 -0.00007 0.00005 -0.00000 0.00000 315 2S -0.00003 0.00019 0.00003 -0.00000 -0.00000 161 162 163 164 165 161 16 C 1S 2.05361 162 2S -0.06703 0.34132 163 2PX 0.00133 0.00154 0.43874 164 2PY -0.00231 -0.00266 -0.00295 0.44215 165 2PZ 0.00000 0.00000 0.00000 -0.00000 0.29300 166 3S -0.16892 0.26072 -0.01609 0.02787 -0.00000 167 3PX 0.00329 -0.01746 0.13320 -0.00105 0.00000 168 3PY -0.00570 0.03024 -0.00105 0.13441 -0.00000 169 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.18401 170 4XX -0.01738 -0.00282 0.01432 0.00354 -0.00000 171 4YY -0.01984 0.00159 -0.01857 0.00382 0.00000 172 4ZZ -0.01144 -0.01597 0.00034 -0.00058 0.00000 173 4XY 0.00247 -0.00440 0.00016 -0.01917 0.00000 174 4XZ -0.00000 0.00000 0.00000 0.00000 0.00473 175 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00819 176 17 C 1S 0.01666 -0.03365 0.03901 0.07032 -0.00000 177 2S -0.03353 0.05815 -0.08561 -0.14268 0.00000 178 2PX -0.03702 0.07399 -0.06270 -0.13623 0.00000 179 2PY -0.07059 0.15020 -0.15188 -0.25000 0.00000 180 2PZ 0.00000 -0.00000 0.00000 0.00000 0.20552 181 3S 0.00549 0.02426 -0.03030 -0.12943 0.00000 182 3PX -0.00412 0.02642 0.00291 -0.03155 0.00000 183 3PY -0.00984 0.02880 -0.06662 -0.06591 -0.00000 184 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.12865 185 4XX 0.00092 -0.00298 0.01350 0.00163 -0.00000 186 4YY -0.00483 0.00815 -0.00879 0.00303 -0.00000 187 4ZZ 0.00186 -0.00428 0.00218 0.00591 -0.00000 188 4XY -0.00475 0.00979 0.00262 -0.01275 0.00000 189 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00683 190 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00852 191 18 C 1S -0.00269 0.00771 -0.00087 -0.01315 0.00000 192 2S 0.00737 -0.01778 0.00615 0.03611 -0.00000 193 2PX -0.00184 0.00606 0.00889 -0.00864 0.00000 194 2PY 0.01710 -0.04518 0.01119 0.06139 -0.00000 195 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.02250 196 3S -0.00783 -0.00476 -0.05838 0.02286 -0.00000 197 3PX -0.00710 0.01322 0.01176 -0.04926 0.00000 198 3PY 0.00297 -0.01750 -0.00964 0.03090 -0.00000 199 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00645 200 4XX 0.00108 -0.00191 0.00244 0.00399 -0.00000 201 4YY -0.00176 0.00385 -0.00446 -0.01031 0.00000 202 4ZZ 0.00010 0.00014 0.00034 0.00050 -0.00000 203 4XY -0.00103 0.00250 -0.00219 -0.00341 0.00000 204 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00728 205 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00828 206 19 H 1S -0.00831 0.02003 -0.01762 -0.03240 0.00000 207 2S -0.00950 0.02423 -0.00745 -0.05911 0.00000 208 20 H 1S 0.01221 -0.02701 0.04120 0.02884 -0.00000 209 2S 0.01361 -0.02485 0.07717 0.04797 -0.00000 210 21 H 1S -0.06236 0.11909 -0.13604 0.23563 -0.00000 211 2S -0.01158 0.02086 -0.10596 0.18352 -0.00000 212 22 H 1S 0.01221 -0.02701 -0.04557 -0.02126 0.00000 213 2S 0.01361 -0.02485 -0.08013 -0.04284 0.00000 214 23 H 1S -0.00831 0.02003 0.03687 -0.00094 0.00000 215 2S -0.00950 0.02423 0.05492 -0.02310 0.00000 216 24 C 1S -0.00009 0.00005 0.00035 -0.00004 0.00000 217 2S -0.00006 0.00018 -0.00271 -0.00130 0.00000 218 2PX 0.00001 -0.00097 0.00034 0.00028 -0.00000 219 2PY 0.00022 -0.00026 -0.00216 -0.00080 -0.00000 220 2PZ -0.00000 0.00000 0.00000 -0.00000 0.03204 221 3S 0.00179 -0.00266 0.02490 0.01372 -0.00000 222 3PX -0.00112 0.00270 -0.00418 -0.00669 0.00000 223 3PY 0.00189 -0.00324 0.02877 0.02429 -0.00000 224 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.02595 225 4XX 0.00010 -0.00013 0.00031 0.00024 -0.00000 226 4YY -0.00012 0.00016 0.00035 -0.00006 0.00000 227 4ZZ -0.00006 0.00009 -0.00025 -0.00022 0.00000 228 4XY -0.00011 0.00019 -0.00010 -0.00020 0.00000 229 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00117 230 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00293 231 25 C 1S -0.00079 0.00164 -0.00149 -0.00315 0.00000 232 2S 0.00150 -0.00336 0.00239 0.00649 -0.00000 233 2PX -0.00157 0.00443 -0.00337 -0.00724 0.00000 234 2PY 0.00393 -0.00706 0.00786 0.01409 -0.00000 235 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.02803 236 3S 0.00609 -0.01102 0.02013 0.02197 -0.00000 237 3PX -0.00480 0.00955 -0.02114 -0.02039 0.00000 238 3PY -0.00114 0.00195 -0.01185 -0.00806 -0.00000 239 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.01658 240 4XX 0.00010 -0.00026 -0.00010 0.00042 -0.00000 241 4YY 0.00012 -0.00018 0.00056 0.00025 -0.00000 242 4ZZ -0.00005 0.00007 -0.00012 -0.00011 0.00000 243 4XY -0.00020 0.00040 -0.00054 -0.00087 -0.00000 244 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00134 245 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00006 246 26 C 1S 0.00036 -0.00050 0.00069 0.00119 -0.00000 247 2S -0.00039 0.00051 -0.00021 -0.00136 0.00000 248 2PX -0.00039 0.00069 -0.00103 -0.00185 0.00000 249 2PY -0.00134 0.00146 -0.00259 -0.00384 0.00000 250 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00819 251 3S -0.00637 0.01131 -0.02492 -0.02524 0.00000 252 3PX -0.00209 0.00376 -0.00698 -0.00802 0.00000 253 3PY -0.00227 0.00422 -0.01068 -0.01093 0.00000 254 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00410 255 4XX -0.00011 0.00023 -0.00022 -0.00048 0.00000 256 4YY 0.00007 -0.00019 -0.00002 0.00043 -0.00000 257 4ZZ 0.00008 -0.00012 0.00020 0.00022 -0.00000 258 4XY -0.00011 0.00020 -0.00027 -0.00042 0.00000 259 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00008 260 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00206 261 27 C 1S -0.00023 0.00029 -0.00044 -0.00076 0.00000 262 2S 0.00029 -0.00051 0.00025 0.00118 -0.00000 263 2PX -0.00044 0.00025 -0.00101 -0.00129 0.00000 264 2PY 0.00076 -0.00118 0.00129 0.00237 0.00000 265 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.03226 266 3S 0.00272 -0.00457 0.00791 0.01012 -0.00000 267 3PX 0.00082 -0.00168 0.00492 0.00435 -0.00000 268 3PY 0.00153 -0.00255 0.00522 0.00542 0.00000 269 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.02434 270 4XX 0.00002 -0.00006 0.00007 0.00015 -0.00000 271 4YY -0.00004 0.00010 -0.00008 -0.00024 0.00000 272 4ZZ -0.00004 0.00005 -0.00012 -0.00009 0.00000 273 4XY -0.00004 0.00006 -0.00010 -0.00010 0.00000 274 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00030 275 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00024 276 28 C 1S -0.00005 0.00015 0.00002 -0.00012 0.00000 277 2S 0.00016 -0.00041 0.00040 0.00078 -0.00000 278 2PX 0.00005 0.00037 -0.00001 -0.00039 0.00000 279 2PY 0.00023 -0.00023 -0.00021 0.00032 0.00000 280 2PZ -0.00000 0.00000 0.00000 0.00000 -0.01305 281 3S -0.00047 0.00048 -0.00758 -0.00557 0.00000 282 3PX 0.00113 -0.00196 0.00465 0.00561 -0.00000 283 3PY -0.00007 0.00007 -0.00351 -0.00287 0.00000 284 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.01120 285 4XX -0.00002 0.00004 -0.00007 -0.00006 0.00000 286 4YY 0.00001 -0.00000 -0.00006 -0.00008 -0.00000 287 4ZZ 0.00001 -0.00001 0.00005 0.00007 -0.00000 288 4XY -0.00000 0.00001 -0.00005 -0.00004 -0.00000 289 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00166 290 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00094 291 29 C 1S -0.00007 0.00015 -0.00035 -0.00043 0.00000 292 2S 0.00008 -0.00026 0.00024 0.00031 -0.00000 293 2PX -0.00008 0.00024 -0.00071 -0.00056 0.00000 294 2PY 0.00000 -0.00060 0.00155 0.00128 -0.00000 295 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.02646 296 3S 0.00149 -0.00309 0.01484 0.01600 -0.00000 297 3PX -0.00015 0.00012 -0.01009 -0.00806 0.00000 298 3PY 0.00141 -0.00306 0.00695 0.00893 -0.00000 299 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.02255 300 4XX -0.00003 0.00009 -0.00003 -0.00010 0.00000 301 4YY 0.00004 -0.00009 0.00011 0.00024 -0.00000 302 4ZZ -0.00001 0.00001 -0.00008 -0.00007 -0.00000 303 4XY 0.00001 -0.00003 0.00001 -0.00000 0.00000 304 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00028 305 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00162 306 30 H 1S -0.00016 0.00043 -0.00031 -0.00048 0.00000 307 2S -0.00033 0.00091 0.00581 0.00306 -0.00000 308 31 H 1S -0.00004 0.00007 0.00020 -0.00006 0.00000 309 2S -0.00021 0.00040 -0.00114 -0.00157 0.00000 310 32 H 1S -0.00021 0.00050 -0.00027 -0.00081 0.00000 311 2S -0.00004 0.00021 0.00116 -0.00023 0.00000 312 33 H 1S -0.00037 0.00067 -0.00054 -0.00124 0.00000 313 2S -0.00067 0.00149 -0.00114 -0.00313 0.00000 314 34 H 1S 0.00118 -0.00167 0.00220 0.00276 -0.00000 315 2S -0.00109 0.00053 -0.01235 0.00009 -0.00000 166 167 168 169 170 166 3S 0.22415 167 3PX -0.01634 0.04841 168 3PY 0.02830 -0.00035 0.04882 169 3PZ -0.00000 0.00000 -0.00000 0.11649 170 4XX -0.00264 0.00363 0.00030 -0.00000 0.00114 171 4YY 0.00364 -0.00461 0.00140 0.00000 -0.00071 172 4ZZ -0.01125 0.00083 -0.00144 0.00000 0.00023 173 4XY -0.00628 0.00063 -0.00548 0.00000 0.00005 174 4XZ 0.00000 -0.00000 0.00000 0.00287 0.00000 175 4YZ 0.00000 0.00000 0.00000 -0.00497 0.00000 176 17 C 1S 0.00492 0.00654 0.00812 -0.00000 0.00080 177 2S 0.02358 -0.01005 -0.03670 0.00000 -0.00328 178 2PX 0.07798 -0.00601 -0.03412 0.00000 -0.01332 179 2PY 0.09854 -0.07069 -0.06032 -0.00000 -0.00388 180 2PZ -0.00000 0.00000 -0.00000 0.12568 0.00000 181 3S -0.01416 0.00387 -0.02576 0.00000 -0.00159 182 3PX 0.02529 0.00305 -0.00378 0.00000 -0.00392 183 3PY 0.01686 -0.02320 -0.01569 -0.00000 -0.00181 184 3PZ -0.00000 0.00000 -0.00000 0.07933 0.00000 185 4XX -0.00513 0.00432 0.00066 -0.00000 0.00092 186 4YY 0.00880 -0.00378 0.00120 -0.00000 -0.00055 187 4ZZ -0.00243 0.00017 0.00150 -0.00000 0.00009 188 4XY 0.00658 -0.00085 -0.00315 0.00000 0.00018 189 4XZ -0.00000 0.00000 0.00000 0.00403 -0.00000 190 4YZ -0.00000 0.00000 -0.00000 0.00568 0.00000 191 18 C 1S -0.01214 -0.00644 0.00348 -0.00000 0.00134 192 2S 0.00519 0.01025 0.00524 -0.00000 -0.00255 193 2PX -0.02406 0.01182 0.01316 -0.00000 0.00166 194 2PY -0.04816 0.04395 0.02449 -0.00000 -0.00474 195 2PZ 0.00000 -0.00000 -0.00000 0.00378 0.00000 196 3S 0.02389 -0.00842 -0.00090 0.00000 -0.00429 197 3PX -0.00293 0.00322 -0.00894 0.00000 0.00002 198 3PY -0.01734 0.01139 0.00836 -0.00000 -0.00144 199 3PZ 0.00000 -0.00000 -0.00000 -0.00232 0.00000 200 4XX -0.00257 0.00013 0.00102 -0.00000 0.00045 201 4YY 0.00374 -0.00155 -0.00333 -0.00000 -0.00039 202 4ZZ -0.00037 0.00000 0.00045 -0.00000 0.00011 203 4XY 0.00345 -0.00303 -0.00192 0.00000 -0.00005 204 4XZ -0.00000 0.00000 0.00000 -0.00504 0.00000 205 4YZ -0.00000 0.00000 0.00000 0.00509 0.00000 206 19 H 1S 0.03692 -0.02901 -0.01983 0.00000 0.00000 207 2S 0.02739 -0.02484 -0.02595 0.00000 0.00035 208 20 H 1S -0.04531 0.01221 0.00777 -0.00000 0.00796 209 2S -0.03666 0.02080 0.01439 -0.00000 0.00758 210 21 H 1S 0.11708 -0.04681 0.08107 -0.00000 -0.00376 211 2S 0.03630 -0.03138 0.05435 -0.00000 -0.00276 212 22 H 1S -0.04531 -0.01284 -0.00669 0.00000 0.00202 213 2S -0.03666 -0.02287 -0.01081 0.00000 -0.00164 214 23 H 1S 0.03692 0.03168 0.01521 -0.00000 -0.00145 215 2S 0.02739 0.03489 0.00854 -0.00000 -0.00093 216 24 C 1S 0.00128 0.00022 -0.00042 0.00000 0.00005 217 2S -0.00041 -0.00096 -0.00039 0.00000 -0.00011 218 2PX 0.00937 0.00743 -0.00676 0.00000 -0.00002 219 2PY -0.00109 0.00117 0.00214 -0.00000 -0.00011 220 2PZ 0.00000 -0.00000 -0.00000 0.02640 0.00000 221 3S -0.00594 0.01218 0.00811 -0.00000 -0.00014 222 3PX -0.00016 -0.00499 -0.00009 -0.00000 -0.00028 223 3PY -0.00567 0.01339 0.01214 -0.00000 0.00011 224 3PZ 0.00000 -0.00000 -0.00000 0.02062 -0.00000 225 4XX -0.00053 0.00003 0.00028 -0.00000 0.00001 226 4YY 0.00055 0.00020 -0.00019 0.00000 -0.00000 227 4ZZ 0.00008 -0.00016 -0.00007 0.00000 -0.00000 228 4XY 0.00108 0.00031 -0.00054 0.00000 0.00001 229 4XZ -0.00000 -0.00000 0.00000 -0.00079 -0.00000 230 4YZ -0.00000 -0.00000 0.00000 -0.00192 0.00000 231 25 C 1S 0.00475 -0.00105 -0.00272 0.00000 0.00006 232 2S -0.00961 0.00136 0.00540 -0.00000 -0.00012 233 2PX 0.00078 -0.00779 0.00030 -0.00000 0.00013 234 2PY -0.03493 -0.00807 0.02054 -0.00000 -0.00043 235 2PZ 0.00000 0.00000 -0.00000 0.02161 0.00000 236 3S -0.02231 0.00820 0.01379 -0.00000 -0.00004 237 3PX 0.00811 -0.01576 -0.00567 0.00000 -0.00016 238 3PY -0.00807 -0.00997 0.00225 -0.00000 -0.00012 239 3PZ 0.00000 0.00000 -0.00000 0.01265 0.00000 240 4XX -0.00068 -0.00002 0.00037 -0.00000 -0.00001 241 4YY -0.00031 0.00025 0.00015 -0.00000 -0.00000 242 4ZZ 0.00041 0.00012 -0.00020 0.00000 0.00001 243 4XY 0.00180 0.00030 -0.00098 0.00000 0.00002 244 4XZ -0.00000 -0.00000 0.00000 0.00106 -0.00000 245 4YZ 0.00000 -0.00000 -0.00000 0.00006 -0.00000 246 26 C 1S -0.00468 -0.00172 0.00266 -0.00000 -0.00005 247 2S 0.00779 0.00356 -0.00440 0.00000 0.00009 248 2PX 0.00218 0.00099 -0.00218 0.00000 -0.00001 249 2PY 0.02095 0.01074 -0.01241 0.00000 0.00023 250 2PZ -0.00000 -0.00000 0.00000 -0.00576 -0.00000 251 3S 0.02041 -0.01009 -0.01363 0.00000 0.00004 252 3PX 0.00430 -0.00352 -0.00344 0.00000 0.00001 253 3PY 0.00966 -0.00294 -0.00712 0.00000 0.00004 254 3PZ -0.00000 0.00000 0.00000 -0.00288 -0.00000 255 4XX 0.00067 -0.00007 -0.00039 0.00000 0.00001 256 4YY -0.00089 -0.00019 0.00051 -0.00000 -0.00002 257 4ZZ -0.00038 -0.00002 0.00023 -0.00000 -0.00000 258 4XY 0.00093 0.00024 -0.00056 0.00000 0.00001 259 4XZ -0.00000 -0.00000 0.00000 0.00006 -0.00000 260 4YZ 0.00000 0.00000 -0.00000 0.00156 0.00000 261 27 C 1S 0.00272 0.00082 -0.00153 0.00000 0.00002 262 2S -0.00457 -0.00168 0.00255 -0.00000 -0.00006 263 2PX 0.00791 0.00492 -0.00522 0.00000 0.00007 264 2PY -0.01012 -0.00435 0.00542 0.00000 -0.00015 265 2PZ 0.00000 0.00000 0.00000 -0.02434 0.00000 266 3S -0.00951 0.00297 0.00638 -0.00000 -0.00001 267 3PX 0.00297 0.00576 -0.00093 0.00000 0.00009 268 3PY -0.00639 0.00093 0.00394 0.00000 -0.00003 269 3PZ 0.00000 -0.00000 0.00000 -0.01814 0.00000 270 4XX -0.00001 0.00009 0.00003 -0.00000 0.00000 271 4YY 0.00044 0.00008 -0.00027 0.00000 0.00001 272 4ZZ 0.00012 -0.00003 -0.00006 0.00000 -0.00000 273 4XY 0.00027 0.00005 -0.00017 0.00000 0.00000 274 4XZ -0.00000 -0.00000 0.00000 -0.00029 -0.00000 275 4YZ -0.00000 -0.00000 0.00000 -0.00018 -0.00000 276 28 C 1S 0.00038 0.00007 -0.00016 0.00000 0.00001 277 2S -0.00120 -0.00004 0.00065 -0.00000 -0.00002 278 2PX -0.00420 -0.00366 0.00305 -0.00000 -0.00004 279 2PY -0.00493 -0.00397 0.00218 0.00000 -0.00009 280 2PZ 0.00000 0.00000 0.00000 -0.01122 0.00000 281 3S 0.00002 -0.00372 -0.00256 0.00000 -0.00010 282 3PX -0.00239 0.00238 0.00256 -0.00000 0.00004 283 3PY -0.00093 -0.00249 -0.00101 0.00000 -0.00008 284 3PZ 0.00000 0.00000 0.00000 -0.00938 0.00000 285 4XX 0.00000 0.00002 0.00002 -0.00000 0.00000 286 4YY -0.00005 -0.00015 -0.00003 -0.00000 -0.00000 287 4ZZ 0.00002 0.00006 0.00002 -0.00000 0.00000 288 4XY 0.00010 0.00001 -0.00006 -0.00000 0.00000 289 4XZ -0.00000 -0.00000 -0.00000 0.00122 -0.00000 290 4YZ 0.00000 0.00000 -0.00000 0.00065 0.00000 291 29 C 1S 0.00137 0.00067 -0.00035 0.00000 0.00001 292 2S -0.00203 -0.00158 0.00038 -0.00000 -0.00004 293 2PX 0.00184 0.00276 0.00025 -0.00000 0.00008 294 2PY 0.00453 0.00405 -0.00363 -0.00000 0.00003 295 2PZ -0.00000 -0.00000 -0.00000 0.01845 -0.00000 296 3S -0.00420 0.00703 0.00658 -0.00000 0.00019 297 3PX 0.00129 -0.00267 -0.00380 0.00000 -0.00007 298 3PY 0.00013 0.00600 0.00073 -0.00000 0.00010 299 3PZ -0.00000 -0.00000 -0.00000 0.01560 -0.00000 300 4XX 0.00012 0.00001 0.00001 -0.00000 0.00001 301 4YY -0.00004 0.00014 0.00003 -0.00000 -0.00000 302 4ZZ 0.00001 -0.00001 0.00001 -0.00000 -0.00000 303 4XY -0.00008 0.00002 0.00001 0.00000 -0.00000 304 4XZ 0.00000 -0.00000 0.00000 -0.00020 0.00000 305 4YZ 0.00000 -0.00000 -0.00000 0.00133 0.00000 306 30 H 1S 0.00069 0.00060 0.00031 -0.00000 0.00003 307 2S 0.00146 0.00255 0.00162 -0.00000 0.00010 308 31 H 1S 0.00019 0.00037 0.00022 -0.00000 0.00001 309 2S 0.00015 -0.00076 -0.00038 0.00000 -0.00002 310 32 H 1S 0.00217 0.00049 -0.00098 0.00000 0.00004 311 2S 0.00337 0.00185 -0.00166 0.00000 0.00007 312 33 H 1S 0.00376 0.00042 -0.00169 0.00000 0.00006 313 2S 0.00291 -0.00110 -0.00168 0.00000 0.00007 314 34 H 1S -0.01543 -0.00694 0.00806 -0.00000 -0.00033 315 2S -0.00872 -0.00947 0.00571 -0.00000 -0.00061 171 172 173 174 175 171 4YY 0.00146 172 4ZZ -0.00003 0.00089 173 4XY -0.00037 0.00025 0.00161 174 4XZ 0.00000 -0.00000 -0.00000 0.00061 175 4YZ -0.00000 -0.00000 0.00000 0.00015 0.00044 176 17 C 1S -0.00459 0.00192 -0.00512 0.00000 0.00000 177 2S 0.00805 -0.00439 0.00992 -0.00000 -0.00000 178 2PX 0.01131 -0.00347 -0.00245 0.00000 -0.00000 179 2PY -0.00237 -0.00499 0.01094 -0.00000 0.00000 180 2PZ 0.00000 0.00000 -0.00000 -0.00579 -0.01188 181 3S 0.00400 -0.00220 0.01082 -0.00000 -0.00000 182 3PX 0.00234 -0.00099 -0.00151 0.00000 -0.00000 183 3PY 0.00019 -0.00085 0.00399 -0.00000 0.00000 184 3PZ 0.00000 0.00000 -0.00000 -0.00427 -0.00761 185 4XX -0.00083 0.00011 0.00033 -0.00000 0.00000 186 4YY 0.00056 -0.00032 -0.00051 -0.00000 -0.00000 187 4ZZ -0.00030 0.00029 -0.00037 -0.00000 0.00000 188 4XY -0.00057 -0.00034 0.00051 -0.00000 0.00000 189 4XZ 0.00000 0.00000 -0.00000 -0.00002 -0.00033 190 4YZ -0.00000 0.00000 0.00000 0.00043 0.00001 191 18 C 1S -0.00206 0.00015 0.00085 -0.00000 0.00000 192 2S 0.00448 0.00004 -0.00199 0.00000 -0.00000 193 2PX -0.00336 0.00012 0.00222 -0.00000 0.00000 194 2PY 0.01183 -0.00043 -0.00367 0.00000 -0.00000 195 2PZ -0.00000 0.00000 0.00000 -0.00832 -0.00838 196 3S 0.00542 -0.00017 -0.00159 0.00000 -0.00000 197 3PX -0.00132 -0.00039 0.00219 -0.00000 0.00000 198 3PY 0.00426 -0.00015 -0.00162 0.00000 -0.00000 199 3PZ 0.00000 0.00000 0.00000 -0.00625 -0.00553 200 4XX -0.00045 0.00010 0.00010 -0.00000 0.00000 201 4YY 0.00034 -0.00019 0.00025 -0.00000 0.00000 202 4ZZ -0.00020 0.00004 0.00002 0.00000 0.00000 203 4XY -0.00032 -0.00001 -0.00005 -0.00000 0.00000 204 4XZ 0.00000 -0.00000 -0.00000 0.00018 0.00024 205 4YZ 0.00000 0.00000 -0.00000 -0.00011 -0.00040 206 19 H 1S -0.00255 -0.00004 0.00062 -0.00000 0.00000 207 2S -0.00294 -0.00037 0.00159 -0.00000 0.00000 208 20 H 1S -0.00517 0.00062 0.00522 -0.00000 0.00000 209 2S -0.00670 0.00102 0.00199 -0.00000 0.00000 210 21 H 1S 0.00961 -0.00601 -0.01337 0.00000 -0.00000 211 2S 0.00790 -0.00181 -0.01067 0.00000 -0.00000 212 22 H 1S 0.00076 0.00062 0.00918 -0.00000 -0.00000 213 2S 0.00252 0.00102 0.00814 -0.00000 -0.00000 214 23 H 1S -0.00110 -0.00004 0.00159 -0.00000 0.00000 215 2S -0.00167 -0.00037 0.00244 -0.00000 0.00000 216 24 C 1S 0.00000 -0.00003 -0.00010 0.00000 0.00000 217 2S -0.00001 0.00002 0.00026 -0.00000 0.00000 218 2PX 0.00011 -0.00015 0.00026 -0.00000 -0.00000 219 2PY -0.00001 0.00004 0.00037 -0.00000 -0.00000 220 2PZ -0.00000 -0.00000 -0.00000 0.00036 0.00004 221 3S 0.00017 0.00006 0.00015 -0.00000 -0.00000 222 3PX -0.00020 0.00002 0.00010 -0.00000 0.00000 223 3PY 0.00010 0.00015 0.00014 -0.00000 -0.00000 224 3PZ -0.00000 -0.00000 -0.00000 0.00023 -0.00007 225 4XX -0.00001 0.00001 0.00002 -0.00000 0.00000 226 4YY 0.00002 -0.00001 -0.00004 0.00000 -0.00000 227 4ZZ -0.00001 -0.00000 0.00000 0.00000 -0.00000 228 4XY -0.00003 -0.00001 0.00004 -0.00000 0.00000 229 4XZ 0.00000 -0.00000 -0.00000 -0.00002 0.00002 230 4YZ -0.00000 -0.00000 0.00000 -0.00005 0.00004 231 25 C 1S -0.00020 -0.00006 0.00011 -0.00000 0.00000 232 2S 0.00045 0.00008 -0.00019 0.00000 -0.00000 233 2PX -0.00070 0.00007 0.00027 -0.00000 0.00000 234 2PY 0.00107 0.00038 -0.00058 0.00000 -0.00000 235 2PZ -0.00000 -0.00000 0.00000 0.00047 -0.00018 236 3S 0.00102 0.00024 -0.00089 0.00000 -0.00000 237 3PX -0.00095 -0.00001 0.00064 -0.00000 0.00000 238 3PY -0.00003 0.00004 0.00005 -0.00000 0.00000 239 3PZ 0.00000 0.00000 -0.00000 -0.00001 -0.00034 240 4XX 0.00005 0.00001 -0.00002 0.00000 -0.00000 241 4YY 0.00002 0.00000 -0.00001 0.00000 0.00000 242 4ZZ -0.00001 -0.00000 0.00001 0.00000 0.00000 243 4XY -0.00007 -0.00001 0.00004 -0.00000 0.00000 244 4XZ 0.00000 0.00000 -0.00000 0.00002 0.00000 245 4YZ 0.00000 0.00000 0.00000 -0.00003 -0.00002 246 26 C 1S 0.00008 0.00005 -0.00006 0.00000 -0.00000 247 2S -0.00013 -0.00009 0.00009 -0.00000 0.00000 248 2PX -0.00006 -0.00005 0.00009 -0.00000 0.00000 249 2PY -0.00030 -0.00026 0.00024 -0.00000 0.00000 250 2PZ 0.00000 0.00000 -0.00000 0.00017 0.00014 251 3S -0.00113 -0.00023 0.00082 -0.00000 0.00000 252 3PX -0.00035 -0.00007 0.00027 -0.00000 0.00000 253 3PY -0.00045 -0.00012 0.00035 -0.00000 0.00000 254 3PZ 0.00000 -0.00000 -0.00000 0.00030 0.00019 255 4XX -0.00004 -0.00001 0.00002 -0.00000 0.00000 256 4YY 0.00004 0.00001 -0.00002 -0.00000 -0.00000 257 4ZZ 0.00001 0.00001 -0.00001 -0.00000 0.00000 258 4XY -0.00003 -0.00001 0.00002 -0.00000 0.00000 259 4XZ 0.00000 0.00000 -0.00000 0.00001 0.00000 260 4YZ -0.00000 0.00000 0.00000 0.00003 -0.00001 261 27 C 1S -0.00004 -0.00004 0.00004 -0.00000 0.00000 262 2S 0.00010 0.00005 -0.00006 0.00000 -0.00000 263 2PX -0.00008 -0.00012 0.00010 -0.00000 0.00000 264 2PY 0.00024 0.00009 -0.00010 0.00000 -0.00000 265 2PZ -0.00000 -0.00000 0.00000 -0.00030 0.00024 266 3S 0.00044 0.00012 -0.00027 0.00000 -0.00000 267 3PX 0.00008 -0.00003 -0.00005 0.00000 -0.00000 268 3PY 0.00027 0.00006 -0.00017 0.00000 -0.00000 269 3PZ -0.00000 -0.00000 0.00000 -0.00029 0.00018 270 4XX 0.00001 -0.00000 -0.00000 0.00000 -0.00000 271 4YY -0.00002 -0.00000 0.00001 -0.00000 0.00000 272 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 273 4XY -0.00001 -0.00000 0.00001 -0.00000 0.00000 274 4XZ 0.00000 0.00000 -0.00000 -0.00001 -0.00001 275 4YZ 0.00000 0.00000 -0.00000 0.00001 0.00000 276 28 C 1S -0.00003 0.00001 -0.00003 0.00000 0.00000 277 2S 0.00005 -0.00001 0.00007 -0.00000 -0.00000 278 2PX -0.00003 0.00007 0.00004 -0.00000 -0.00000 279 2PY 0.00005 0.00004 0.00013 0.00000 -0.00000 280 2PZ 0.00000 0.00000 0.00000 -0.00024 -0.00005 281 3S 0.00003 -0.00003 0.00015 -0.00000 -0.00000 282 3PX 0.00013 0.00005 -0.00003 0.00000 -0.00000 283 3PY 0.00003 -0.00000 0.00007 0.00000 -0.00000 284 3PZ 0.00000 0.00000 0.00000 -0.00021 -0.00003 285 4XX -0.00001 0.00000 0.00000 -0.00000 0.00000 286 4YY 0.00001 -0.00000 -0.00001 -0.00000 0.00000 287 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 288 4XY -0.00001 -0.00000 0.00001 -0.00000 0.00000 289 4XZ 0.00000 0.00000 -0.00000 0.00001 -0.00002 290 4YZ 0.00000 0.00000 0.00000 0.00001 -0.00001 291 29 C 1S -0.00005 -0.00000 0.00007 -0.00000 0.00000 292 2S 0.00011 -0.00001 -0.00015 0.00000 -0.00000 293 2PX -0.00014 0.00002 0.00002 -0.00000 0.00000 294 2PY 0.00015 -0.00007 -0.00026 0.00000 0.00000 295 2PZ 0.00000 0.00000 0.00000 0.00026 -0.00030 296 3S 0.00030 0.00005 -0.00034 0.00000 -0.00000 297 3PX 0.00003 -0.00003 0.00002 -0.00000 -0.00000 298 3PY 0.00030 0.00001 -0.00022 0.00000 -0.00000 299 3PZ -0.00000 0.00000 0.00000 0.00030 -0.00023 300 4XX -0.00002 0.00000 -0.00001 0.00000 0.00000 301 4YY 0.00000 0.00000 0.00002 -0.00000 -0.00000 302 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 303 4XY 0.00000 -0.00000 0.00001 -0.00000 -0.00000 304 4XZ -0.00000 -0.00000 -0.00000 -0.00001 0.00000 305 4YZ -0.00000 -0.00000 -0.00000 0.00002 0.00000 306 30 H 1S -0.00008 0.00001 -0.00003 0.00000 0.00000 307 2S -0.00020 0.00002 -0.00001 0.00000 0.00000 308 31 H 1S 0.00001 0.00000 -0.00006 0.00000 -0.00000 309 2S 0.00001 -0.00001 -0.00010 0.00000 -0.00000 310 32 H 1S -0.00010 -0.00000 0.00004 -0.00000 0.00000 311 2S -0.00010 -0.00002 0.00006 -0.00000 0.00000 312 33 H 1S -0.00013 -0.00003 0.00005 -0.00000 0.00000 313 2S -0.00022 -0.00003 0.00011 -0.00000 0.00000 314 34 H 1S 0.00042 0.00017 -0.00023 0.00000 -0.00000 315 2S 0.00053 0.00014 0.00007 -0.00000 -0.00000 176 177 178 179 180 176 17 C 1S 2.05309 177 2S -0.06400 0.33160 178 2PX 0.00307 -0.00025 0.43184 179 2PY -0.00014 0.00221 0.00397 0.42134 180 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.32817 181 3S -0.16855 0.25548 -0.01995 -0.00200 0.00000 182 3PX 0.00437 -0.03052 0.14067 -0.00167 0.00000 183 3PY 0.00085 -0.00023 0.00297 0.12354 -0.00000 184 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.21267 185 4XX -0.02111 0.00376 -0.02081 -0.00317 0.00000 186 4YY -0.01621 -0.00474 0.01250 0.00252 -0.00000 187 4ZZ -0.01136 -0.01600 0.00057 0.00041 0.00000 188 4XY -0.00004 0.00010 -0.00330 0.01796 -0.00000 189 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00867 190 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00116 191 18 C 1S 0.01717 -0.03496 -0.04559 0.06700 -0.00000 192 2S -0.03513 0.06184 0.09177 -0.14316 0.00000 193 2PX 0.03273 -0.06515 -0.05840 0.12392 -0.00000 194 2PY -0.07410 0.15136 0.15593 -0.24646 0.00000 195 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.23430 196 3S 0.01183 0.01567 0.10758 -0.05264 0.00000 197 3PX 0.00582 -0.00586 0.01044 0.06094 -0.00000 198 3PY -0.01213 0.04598 0.03827 -0.07437 -0.00000 199 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.15708 200 4XX 0.00042 -0.00232 -0.01349 0.00226 -0.00000 201 4YY -0.00410 0.00695 0.01027 0.00358 -0.00000 202 4ZZ 0.00186 -0.00429 -0.00393 0.00475 -0.00000 203 4XY 0.00499 -0.00971 0.00243 0.00937 -0.00000 204 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00743 205 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.01078 206 19 H 1S 0.01309 -0.03015 -0.00092 0.04234 -0.00000 207 2S 0.01383 -0.02502 -0.00011 0.06724 -0.00000 208 20 H 1S -0.06196 0.11878 -0.26925 -0.01498 -0.00000 209 2S -0.01383 0.02689 -0.21388 -0.01534 0.00000 210 21 H 1S 0.01273 -0.02685 -0.00227 -0.04831 0.00000 211 2S 0.01387 -0.02378 0.00169 -0.08706 0.00000 212 22 H 1S -0.00840 0.02044 0.02000 0.02876 -0.00000 213 2S -0.01208 0.02644 0.04069 0.04882 -0.00000 214 23 H 1S -0.00208 0.00453 0.00680 -0.00484 0.00000 215 2S -0.00439 0.01094 0.01722 0.00465 -0.00000 216 24 C 1S 0.00022 -0.00029 -0.00055 0.00057 -0.00000 217 2S 0.00013 -0.00031 0.00069 0.00225 -0.00000 218 2PX 0.00025 0.00094 -0.00022 0.00187 -0.00000 219 2PY -0.00027 0.00027 0.00133 0.00069 -0.00000 220 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00029 221 3S -0.00715 0.01190 0.01017 -0.04130 0.00000 222 3PX 0.00143 -0.00586 0.00265 0.01093 -0.00000 223 3PY -0.00959 0.01543 -0.00184 -0.04952 0.00000 224 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00316 225 4XX 0.00001 -0.00006 -0.00022 -0.00007 0.00000 226 4YY -0.00017 0.00034 0.00047 -0.00076 0.00000 227 4ZZ 0.00010 -0.00017 -0.00008 0.00056 0.00000 228 4XY 0.00018 -0.00026 -0.00024 0.00043 -0.00000 229 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00047 230 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00108 231 25 C 1S 0.00122 -0.00263 -0.00091 0.00499 -0.00000 232 2S -0.00252 0.00514 0.00153 -0.00942 0.00000 233 2PX 0.00284 -0.00697 -0.00321 0.01093 -0.00000 234 2PY -0.00652 0.00975 0.00715 -0.02351 0.00000 235 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00434 236 3S -0.00900 0.01613 0.00890 -0.04787 0.00000 237 3PX 0.00797 -0.01801 -0.00802 0.04662 -0.00000 238 3PY 0.00447 -0.00648 -0.00367 0.02431 -0.00000 239 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00922 240 4XX -0.00026 0.00043 0.00021 -0.00069 0.00000 241 4YY -0.00018 0.00030 0.00027 -0.00078 0.00000 242 4ZZ 0.00003 -0.00010 -0.00013 0.00027 -0.00000 243 4XY 0.00041 -0.00073 -0.00037 0.00144 -0.00000 244 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00005 245 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00060 246 26 C 1S -0.00059 0.00061 0.00073 -0.00216 0.00000 247 2S 0.00061 -0.00054 -0.00076 0.00147 -0.00000 248 2PX 0.00073 -0.00076 -0.00042 0.00318 -0.00000 249 2PY 0.00216 -0.00147 -0.00318 0.00710 -0.00000 250 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00583 251 3S 0.01170 -0.02013 -0.01147 0.05903 -0.00000 252 3PX 0.00386 -0.00590 -0.00366 0.01864 -0.00000 253 3PY 0.00439 -0.00751 -0.00523 0.02456 -0.00000 254 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00672 255 4XX 0.00020 -0.00035 -0.00018 0.00075 -0.00000 256 4YY -0.00013 0.00024 0.00010 -0.00036 -0.00000 257 4ZZ -0.00013 0.00017 0.00016 -0.00056 -0.00000 258 4XY 0.00021 -0.00026 -0.00030 0.00080 -0.00000 259 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00011 260 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00036 261 27 C 1S 0.00036 -0.00039 -0.00039 0.00134 -0.00000 262 2S -0.00050 0.00051 0.00069 -0.00146 0.00000 263 2PX 0.00069 -0.00021 -0.00103 0.00259 -0.00000 264 2PY -0.00119 0.00136 0.00185 -0.00384 0.00000 265 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00819 266 3S -0.00468 0.00779 0.00218 -0.02095 0.00000 267 3PX -0.00172 0.00356 0.00099 -0.01074 0.00000 268 3PY -0.00266 0.00440 0.00218 -0.01241 0.00000 269 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00576 270 4XX -0.00005 0.00009 -0.00001 -0.00023 0.00000 271 4YY 0.00008 -0.00013 -0.00006 0.00030 -0.00000 272 4ZZ 0.00005 -0.00009 -0.00005 0.00026 0.00000 273 4XY 0.00006 -0.00009 -0.00009 0.00024 -0.00000 274 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00017 275 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00014 276 28 C 1S 0.00002 -0.00011 -0.00003 -0.00004 0.00000 277 2S -0.00025 0.00046 -0.00006 -0.00086 0.00000 278 2PX 0.00005 -0.00078 0.00014 0.00054 -0.00000 279 2PY -0.00014 -0.00022 0.00006 0.00023 -0.00000 280 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00145 281 3S 0.00250 -0.00375 -0.00025 0.01414 -0.00000 282 3PX -0.00207 0.00384 -0.00011 -0.01093 0.00000 283 3PY 0.00113 -0.00189 0.00096 0.00614 -0.00000 284 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00087 285 4XX 0.00003 -0.00006 -0.00005 0.00016 -0.00000 286 4YY 0.00001 -0.00003 0.00010 0.00007 -0.00000 287 4ZZ -0.00003 0.00004 -0.00002 -0.00013 -0.00000 288 4XY 0.00002 -0.00003 -0.00004 0.00006 -0.00000 289 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00052 290 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00036 291 29 C 1S 0.00020 -0.00042 -0.00027 0.00100 -0.00000 292 2S -0.00029 0.00051 0.00094 -0.00113 0.00000 293 2PX 0.00026 -0.00041 -0.00086 0.00083 -0.00000 294 2PY -0.00056 0.00189 0.00087 -0.00300 -0.00000 295 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00938 296 3S -0.00580 0.01075 -0.00278 -0.02976 0.00000 297 3PX 0.00284 -0.00465 0.00209 0.01579 -0.00000 298 3PY -0.00300 0.00682 -0.00080 -0.01601 0.00000 299 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00720 300 4XX 0.00004 -0.00010 -0.00008 0.00007 -0.00000 301 4YY -0.00004 0.00012 -0.00015 -0.00017 0.00000 302 4ZZ 0.00001 -0.00005 0.00005 0.00013 -0.00000 303 4XY -0.00000 0.00001 0.00000 0.00010 -0.00000 304 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00003 305 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00004 306 30 H 1S 0.00012 -0.00026 -0.00018 0.00018 -0.00000 307 2S -0.00103 0.00168 -0.00142 -0.00773 0.00000 308 31 H 1S -0.00002 0.00003 0.00030 -0.00020 0.00000 309 2S 0.00047 -0.00088 0.00092 0.00244 -0.00000 310 32 H 1S 0.00033 -0.00058 -0.00053 0.00109 -0.00000 311 2S -0.00001 0.00019 -0.00019 -0.00134 0.00000 312 33 H 1S 0.00054 -0.00107 -0.00073 0.00194 -0.00000 313 2S 0.00122 -0.00208 -0.00127 0.00513 -0.00000 314 34 H 1S -0.00185 0.00205 0.00531 -0.00530 0.00000 315 2S -0.00056 -0.00258 0.00166 0.01185 -0.00000 181 182 183 184 185 181 3S 0.24394 182 3PX -0.01891 0.05299 183 3PY -0.00764 -0.00267 0.04519 184 3PZ 0.00000 0.00000 -0.00000 0.13913 185 4XX 0.00636 -0.00662 -0.00126 0.00000 0.00186 186 4YY -0.00558 0.00423 0.00046 0.00000 -0.00104 187 4ZZ -0.01126 0.00159 0.00043 0.00000 -0.00010 188 4XY 0.00054 -0.00084 0.00410 -0.00000 0.00013 189 4XZ -0.00000 0.00000 -0.00000 0.00538 -0.00000 190 4YZ 0.00000 -0.00000 -0.00000 -0.00079 0.00000 191 18 C 1S 0.00747 -0.00216 0.01376 -0.00000 0.00099 192 2S 0.01774 0.02170 -0.03468 0.00000 -0.00305 193 2PX -0.03610 -0.01078 0.05819 -0.00000 0.01099 194 2PY 0.13361 0.04009 -0.06214 -0.00000 0.00060 195 2PZ -0.00000 -0.00000 -0.00000 0.14787 0.00000 196 3S -0.03733 0.02238 0.00224 -0.00000 -0.00565 197 3PX 0.01270 0.00747 0.01558 -0.00000 0.00286 198 3PY 0.02612 0.00382 -0.01268 -0.00000 0.00047 199 3PZ -0.00000 -0.00000 -0.00000 0.09987 -0.00000 200 4XX -0.00250 -0.00456 0.00135 -0.00000 0.00077 201 4YY 0.00453 0.00254 0.00025 -0.00000 -0.00069 202 4ZZ -0.00184 -0.00075 0.00124 -0.00000 0.00011 203 4XY -0.01097 0.00083 0.00246 0.00000 -0.00074 204 4XZ 0.00000 -0.00000 0.00000 -0.00537 0.00000 205 4YZ -0.00000 -0.00000 -0.00000 0.00698 0.00000 206 19 H 1S -0.04522 -0.00047 -0.00084 0.00000 -0.00671 207 2S -0.03340 -0.00098 0.00598 -0.00000 -0.00534 208 20 H 1S 0.11028 -0.09701 -0.00658 0.00000 0.01633 209 2S 0.03753 -0.06904 -0.00721 0.00000 0.01341 210 21 H 1S -0.05397 -0.00115 -0.01061 0.00000 -0.00522 211 2S -0.04446 -0.00220 -0.02055 0.00000 -0.00390 212 22 H 1S 0.03285 0.00240 0.02681 -0.00000 -0.00323 213 2S 0.03145 0.00845 0.03062 -0.00000 -0.00459 214 23 H 1S 0.02612 0.00860 0.00169 -0.00000 0.00120 215 2S 0.03122 0.01315 0.00564 -0.00000 0.00282 216 24 C 1S -0.00082 -0.00115 -0.00083 0.00000 0.00014 217 2S -0.00087 0.00121 0.00243 -0.00000 -0.00035 218 2PX -0.02692 -0.00861 0.00932 -0.00000 0.00028 219 2PY 0.00287 0.00231 0.00442 -0.00000 -0.00037 220 2PZ -0.00000 -0.00000 -0.00000 -0.00418 0.00000 221 3S 0.00871 0.00512 -0.00560 0.00000 -0.00010 222 3PX -0.00356 0.00265 0.00202 -0.00000 -0.00049 223 3PY 0.01951 0.00190 -0.01218 0.00000 0.00053 224 3PZ -0.00000 -0.00000 0.00000 -0.00039 -0.00000 225 4XX 0.00062 -0.00004 -0.00007 0.00000 0.00006 226 4YY -0.00010 0.00013 -0.00038 0.00000 -0.00005 227 4ZZ -0.00017 -0.00006 0.00010 0.00000 -0.00000 228 4XY -0.00274 -0.00084 0.00113 -0.00000 -0.00008 229 4XZ 0.00000 0.00000 -0.00000 -0.00013 0.00000 230 4YZ 0.00000 -0.00000 0.00000 -0.00091 0.00000 231 25 C 1S -0.00818 -0.00077 0.00229 -0.00000 -0.00042 232 2S 0.01810 0.00252 -0.00565 0.00000 0.00093 233 2PX 0.00170 0.00328 0.00137 -0.00000 -0.00120 234 2PY 0.09110 0.02521 -0.03696 0.00000 0.00232 235 2PZ -0.00000 -0.00000 0.00000 -0.00243 -0.00000 236 3S 0.03960 0.00766 -0.01954 0.00000 0.00182 237 3PX -0.01421 -0.00026 0.01083 -0.00000 -0.00145 238 3PY 0.02140 0.00658 -0.00334 0.00000 0.00074 239 3PZ -0.00000 -0.00000 0.00000 0.00221 -0.00000 240 4XX 0.00140 0.00035 -0.00042 0.00000 0.00005 241 4YY 0.00072 0.00018 -0.00045 -0.00000 0.00005 242 4ZZ -0.00094 -0.00024 0.00042 -0.00000 -0.00002 243 4XY -0.00461 -0.00110 0.00206 -0.00000 -0.00015 244 4XZ 0.00000 0.00000 -0.00000 -0.00004 0.00000 245 4YZ -0.00000 -0.00000 0.00000 0.00042 -0.00000 246 26 C 1S 0.01170 0.00386 -0.00439 0.00000 0.00020 247 2S -0.02013 -0.00590 0.00751 -0.00000 -0.00035 248 2PX -0.01147 -0.00366 0.00523 -0.00000 -0.00018 249 2PY -0.05903 -0.01864 0.02456 -0.00000 -0.00075 250 2PZ 0.00000 0.00000 -0.00000 -0.00672 0.00000 251 3S -0.04291 -0.00941 0.02448 -0.00000 -0.00139 252 3PX -0.00941 -0.00209 0.00658 -0.00000 -0.00028 253 3PY -0.02448 -0.00658 0.01293 -0.00000 -0.00057 254 3PZ 0.00000 0.00000 -0.00000 -0.00611 0.00000 255 4XX -0.00139 -0.00028 0.00057 -0.00000 -0.00007 256 4YY 0.00216 0.00049 -0.00081 0.00000 0.00008 257 4ZZ 0.00090 0.00026 -0.00040 0.00000 0.00001 258 4XY -0.00249 -0.00079 0.00111 -0.00000 -0.00005 259 4XZ 0.00000 0.00000 -0.00000 -0.00014 0.00000 260 4YZ -0.00000 -0.00000 0.00000 0.00004 -0.00000 261 27 C 1S -0.00637 -0.00209 0.00227 -0.00000 -0.00011 262 2S 0.01131 0.00376 -0.00422 0.00000 0.00023 263 2PX -0.02492 -0.00698 0.01068 -0.00000 -0.00022 264 2PY 0.02524 0.00802 -0.01093 0.00000 0.00048 265 2PZ -0.00000 -0.00000 0.00000 -0.00410 -0.00000 266 3S 0.02041 0.00430 -0.00966 0.00000 0.00067 267 3PX -0.01009 -0.00352 0.00294 -0.00000 -0.00007 268 3PY 0.01363 0.00344 -0.00712 0.00000 0.00039 269 3PZ -0.00000 -0.00000 0.00000 -0.00288 -0.00000 270 4XX 0.00004 0.00001 -0.00004 0.00000 0.00001 271 4YY -0.00113 -0.00035 0.00045 -0.00000 -0.00004 272 4ZZ -0.00023 -0.00007 0.00012 0.00000 -0.00001 273 4XY -0.00082 -0.00027 0.00035 -0.00000 -0.00002 274 4XZ 0.00000 0.00000 -0.00000 0.00030 0.00000 275 4YZ 0.00000 0.00000 -0.00000 -0.00019 0.00000 276 28 C 1S -0.00021 -0.00015 0.00005 -0.00000 -0.00004 277 2S 0.00144 0.00070 -0.00044 0.00000 0.00011 278 2PX 0.01408 0.00387 -0.00562 0.00000 0.00001 279 2PY 0.01052 0.00292 -0.00511 0.00000 0.00010 280 2PZ -0.00000 -0.00000 0.00000 0.00455 -0.00000 281 3S -0.00015 0.00058 0.00161 -0.00000 0.00018 282 3PX 0.00708 0.00052 -0.00385 0.00000 0.00021 283 3PY 0.00118 0.00077 -0.00012 -0.00000 0.00002 284 3PZ -0.00000 -0.00000 -0.00000 0.00310 -0.00000 285 4XX -0.00006 0.00001 0.00017 -0.00000 -0.00000 286 4YY 0.00028 0.00009 -0.00026 -0.00000 0.00000 287 4ZZ 0.00000 -0.00004 -0.00000 -0.00000 0.00000 288 4XY -0.00034 -0.00013 0.00017 -0.00000 -0.00001 289 4XZ 0.00000 0.00000 -0.00000 0.00034 0.00000 290 4YZ -0.00000 -0.00000 0.00000 0.00028 -0.00000 291 29 C 1S -0.00210 -0.00064 0.00157 -0.00000 -0.00007 292 2S 0.00449 0.00141 -0.00366 0.00000 0.00014 293 2PX -0.00556 -0.00156 0.00600 -0.00000 -0.00021 294 2PY -0.01136 -0.00353 0.00179 -0.00000 0.00022 295 2PZ 0.00000 0.00000 -0.00000 0.00782 -0.00000 296 3S 0.01469 0.00071 -0.01063 0.00000 0.00073 297 3PX -0.00797 -0.00057 0.00670 -0.00000 -0.00016 298 3PY 0.00338 -0.00205 -0.00466 0.00000 0.00060 299 3PZ -0.00000 0.00000 0.00000 0.00628 -0.00000 300 4XX -0.00038 -0.00007 0.00029 -0.00000 -0.00003 301 4YY -0.00000 -0.00008 0.00001 0.00000 0.00003 302 4ZZ 0.00004 0.00004 0.00006 0.00000 -0.00000 303 4XY 0.00003 -0.00001 0.00002 -0.00000 0.00002 304 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 305 4YZ -0.00000 0.00000 0.00000 -0.00028 -0.00000 306 30 H 1S -0.00136 -0.00036 0.00196 -0.00000 -0.00018 307 2S 0.00040 -0.00080 -0.00051 0.00000 -0.00020 308 31 H 1S 0.00128 0.00057 -0.00038 0.00000 0.00003 309 2S 0.00133 0.00092 -0.00060 0.00000 0.00001 310 32 H 1S -0.00451 -0.00163 0.00208 -0.00000 -0.00017 311 2S -0.00865 -0.00296 0.00309 -0.00000 -0.00025 312 33 H 1S -0.00576 -0.00118 0.00200 -0.00000 -0.00023 313 2S -0.00362 -0.00041 0.00168 -0.00000 -0.00027 314 34 H 1S 0.04474 0.01297 -0.02060 0.00000 0.00081 315 2S 0.02744 0.00876 -0.00904 0.00000 0.00042 186 187 188 189 190 186 4YY 0.00139 187 4ZZ 0.00031 0.00091 188 4XY 0.00000 -0.00003 0.00117 189 4XZ -0.00000 0.00000 -0.00000 0.00028 190 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00057 191 18 C 1S -0.00455 0.00189 0.00500 -0.00000 0.00000 192 2S 0.00740 -0.00436 -0.01008 0.00000 -0.00000 193 2PX -0.01015 0.00319 -0.00043 0.00000 0.00000 194 2PY -0.00697 -0.00593 -0.01362 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00662 -0.00940 196 3S 0.00788 -0.00168 -0.00808 0.00000 -0.00000 197 3PX -0.00290 0.00017 0.00113 -0.00000 0.00000 198 3PY -0.00311 -0.00168 -0.00431 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00420 -0.00662 200 4XX -0.00039 0.00007 0.00007 -0.00000 0.00000 201 4YY 0.00052 -0.00030 0.00029 -0.00000 -0.00000 202 4ZZ -0.00033 0.00029 0.00037 -0.00000 0.00000 203 4XY 0.00092 0.00037 0.00053 -0.00000 -0.00000 204 4XZ -0.00000 0.00000 -0.00000 -0.00009 -0.00025 205 4YZ -0.00000 0.00000 -0.00000 0.00030 0.00005 206 19 H 1S 0.01085 0.00020 0.00382 -0.00000 -0.00000 207 2S 0.00725 0.00042 0.00589 -0.00000 -0.00000 208 20 H 1S -0.01066 -0.00592 0.00180 -0.00000 0.00000 209 2S -0.00867 -0.00178 0.00153 -0.00000 0.00000 210 21 H 1S 0.00774 0.00080 -0.00486 0.00000 -0.00000 211 2S 0.00435 0.00104 -0.00670 0.00000 -0.00000 212 22 H 1S 0.00055 0.00003 -0.00115 0.00000 -0.00000 213 2S 0.00155 -0.00023 -0.00051 0.00000 -0.00000 214 23 H 1S -0.00084 0.00004 0.00001 0.00000 0.00000 215 2S -0.00235 -0.00039 -0.00015 0.00000 0.00000 216 24 C 1S -0.00012 0.00005 -0.00004 0.00000 0.00000 217 2S 0.00034 -0.00005 0.00017 -0.00000 -0.00000 218 2PX -0.00056 0.00018 0.00005 -0.00000 0.00000 219 2PY 0.00048 -0.00012 0.00015 0.00000 -0.00000 220 2PZ -0.00000 -0.00000 0.00000 -0.00051 0.00260 221 3S -0.00009 -0.00067 -0.00096 0.00000 0.00000 222 3PX 0.00106 0.00005 0.00043 -0.00000 -0.00000 223 3PY -0.00063 -0.00069 -0.00114 0.00000 -0.00000 224 3PZ -0.00000 -0.00000 0.00000 -0.00031 0.00195 225 4XX -0.00004 -0.00001 -0.00004 0.00000 0.00000 226 4YY 0.00001 -0.00000 0.00002 -0.00000 0.00000 227 4ZZ 0.00001 0.00001 0.00002 0.00000 0.00000 228 4XY 0.00010 0.00002 0.00005 -0.00000 -0.00000 229 4XZ -0.00000 0.00000 -0.00000 -0.00001 -0.00006 230 4YZ 0.00000 0.00000 -0.00000 -0.00001 -0.00016 231 25 C 1S 0.00058 0.00003 0.00028 -0.00000 -0.00000 232 2S -0.00125 -0.00015 -0.00068 0.00000 0.00000 233 2PX 0.00185 0.00002 0.00077 -0.00000 -0.00000 234 2PY -0.00235 -0.00091 -0.00203 0.00000 0.00000 235 2PZ 0.00000 -0.00000 0.00000 -0.00024 0.00196 236 3S -0.00235 -0.00074 -0.00241 0.00000 0.00000 237 3PX 0.00256 0.00053 0.00194 -0.00000 -0.00000 238 3PY -0.00041 0.00006 0.00028 -0.00000 -0.00000 239 3PZ -0.00000 -0.00000 -0.00000 0.00002 0.00087 240 4XX -0.00008 -0.00002 -0.00006 0.00000 0.00000 241 4YY -0.00006 -0.00001 -0.00004 0.00000 0.00000 242 4ZZ 0.00002 0.00001 0.00001 -0.00000 0.00000 243 4XY 0.00018 0.00004 0.00011 -0.00000 -0.00000 244 4XZ -0.00000 -0.00000 -0.00000 -0.00002 0.00010 245 4YZ 0.00000 0.00000 0.00000 0.00001 -0.00002 246 26 C 1S -0.00013 -0.00013 -0.00021 0.00000 0.00000 247 2S 0.00024 0.00017 0.00026 -0.00000 -0.00000 248 2PX 0.00010 0.00016 0.00030 -0.00000 -0.00000 249 2PY 0.00036 0.00056 0.00080 -0.00000 -0.00000 250 2PZ 0.00000 0.00000 -0.00000 -0.00011 -0.00036 251 3S 0.00216 0.00090 0.00249 -0.00000 -0.00000 252 3PX 0.00049 0.00026 0.00079 -0.00000 -0.00000 253 3PY 0.00081 0.00040 0.00111 -0.00000 -0.00000 254 3PZ -0.00000 -0.00000 -0.00000 -0.00014 -0.00004 255 4XX 0.00008 0.00001 0.00005 -0.00000 -0.00000 256 4YY -0.00009 -0.00001 -0.00005 0.00000 -0.00000 257 4ZZ -0.00001 -0.00001 -0.00003 0.00000 -0.00000 258 4XY 0.00005 0.00003 0.00006 -0.00000 -0.00000 259 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00001 260 4YZ -0.00000 -0.00000 0.00000 -0.00001 0.00014 261 27 C 1S 0.00007 0.00008 0.00011 -0.00000 -0.00000 262 2S -0.00019 -0.00012 -0.00020 0.00000 0.00000 263 2PX -0.00002 0.00020 0.00027 -0.00000 -0.00000 264 2PY -0.00043 -0.00022 -0.00042 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00008 -0.00206 266 3S -0.00089 -0.00038 -0.00093 0.00000 0.00000 267 3PX -0.00019 -0.00002 -0.00024 0.00000 0.00000 268 3PY -0.00051 -0.00023 -0.00056 0.00000 0.00000 269 3PZ 0.00000 0.00000 0.00000 0.00006 -0.00156 270 4XX -0.00002 -0.00000 -0.00001 0.00000 0.00000 271 4YY 0.00004 0.00001 0.00003 -0.00000 -0.00000 272 4ZZ 0.00001 0.00001 0.00001 -0.00000 0.00000 273 4XY 0.00002 0.00001 0.00002 -0.00000 -0.00000 274 4XZ 0.00000 0.00000 -0.00000 0.00001 -0.00003 275 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00001 276 28 C 1S 0.00007 -0.00001 0.00003 -0.00000 -0.00000 277 2S -0.00014 -0.00002 -0.00009 0.00000 0.00000 278 2PX 0.00022 -0.00008 -0.00004 0.00000 -0.00000 279 2PY -0.00002 -0.00009 -0.00011 -0.00000 0.00000 280 2PZ 0.00000 0.00000 -0.00000 0.00022 -0.00108 281 3S -0.00015 0.00014 0.00017 -0.00000 0.00000 282 3PX -0.00032 -0.00014 -0.00039 0.00000 0.00000 283 3PY 0.00000 0.00005 0.00005 -0.00000 0.00000 284 3PZ 0.00000 0.00000 -0.00000 0.00017 -0.00091 285 4XX 0.00001 0.00000 0.00001 -0.00000 -0.00000 286 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 287 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 288 4XY 0.00001 0.00000 0.00001 -0.00000 -0.00000 289 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00010 290 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00005 291 29 C 1S 0.00013 0.00000 0.00005 -0.00000 -0.00000 292 2S -0.00023 -0.00002 -0.00010 0.00000 0.00000 293 2PX 0.00028 0.00003 0.00018 -0.00000 -0.00000 294 2PY -0.00055 0.00008 -0.00009 0.00000 -0.00000 295 2PZ -0.00000 -0.00000 0.00000 0.00003 0.00156 296 3S -0.00115 -0.00033 -0.00083 0.00000 0.00000 297 3PX 0.00014 0.00021 0.00029 -0.00000 -0.00000 298 3PY -0.00104 -0.00013 -0.00061 0.00000 0.00000 299 3PZ -0.00000 -0.00000 0.00000 0.00003 0.00134 300 4XX 0.00004 0.00000 0.00002 -0.00000 -0.00000 301 4YY -0.00003 -0.00000 -0.00001 0.00000 -0.00000 302 4ZZ 0.00001 0.00000 0.00000 0.00000 -0.00000 303 4XY -0.00002 -0.00000 -0.00000 0.00000 0.00000 304 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00002 305 4YZ -0.00000 -0.00000 0.00000 -0.00003 0.00013 306 30 H 1S 0.00021 0.00001 0.00012 -0.00000 -0.00000 307 2S 0.00032 -0.00010 0.00005 -0.00000 -0.00000 308 31 H 1S -0.00002 0.00001 -0.00002 0.00000 0.00000 309 2S 0.00002 0.00003 0.00004 -0.00000 -0.00000 310 32 H 1S 0.00022 0.00004 0.00013 -0.00000 -0.00000 311 2S 0.00023 0.00005 0.00012 -0.00000 -0.00000 312 33 H 1S 0.00029 0.00003 0.00013 -0.00000 -0.00000 313 2S 0.00040 0.00004 0.00029 -0.00000 -0.00000 314 34 H 1S -0.00062 -0.00035 -0.00056 0.00000 0.00000 315 2S -0.00029 0.00002 -0.00019 0.00000 0.00000 191 192 193 194 195 191 18 C 1S 2.05345 192 2S -0.06555 0.33572 193 2PX 0.00450 -0.00990 0.41820 194 2PY 0.00214 0.00160 0.01176 0.45152 195 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.31455 196 3S -0.17800 0.27937 0.05843 -0.03634 0.00000 197 3PX -0.00182 -0.00344 0.12592 0.00374 0.00000 198 3PY 0.00661 -0.02450 0.01259 0.15811 -0.00000 199 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.21196 200 4XX -0.01877 0.00021 0.00980 -0.00741 0.00000 201 4YY -0.01888 -0.00018 -0.01335 -0.00000 -0.00000 202 4ZZ -0.01124 -0.01627 0.00037 0.00088 -0.00000 203 4XY -0.00198 0.00326 -0.00925 -0.02045 0.00000 204 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00119 205 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00646 206 19 H 1S -0.06214 0.11951 -0.16780 -0.23089 0.00000 207 2S -0.00435 0.01667 -0.15265 -0.16879 0.00000 208 20 H 1S 0.01500 -0.03230 0.03471 -0.02314 0.00000 209 2S 0.01779 -0.03390 0.06497 -0.04104 0.00000 210 21 H 1S -0.00767 0.01793 -0.01357 0.03485 -0.00000 211 2S -0.01140 0.02354 -0.01959 0.06376 -0.00000 212 22 H 1S -0.00117 0.00253 0.00007 0.00510 -0.00000 213 2S 0.00133 -0.00120 -0.00554 0.00388 -0.00000 214 23 H 1S -0.00811 0.02016 0.03398 0.00274 -0.00000 215 2S -0.01643 0.03541 0.08686 0.01645 -0.00000 216 24 C 1S -0.00092 0.00179 0.00513 -0.00130 0.00000 217 2S 0.00163 -0.00324 -0.00960 -0.00138 0.00000 218 2PX 0.00241 -0.00597 0.00443 0.00569 -0.00000 219 2PY 0.00357 -0.00674 -0.01573 0.00342 0.00000 220 2PZ -0.00000 0.00000 0.00000 0.00000 -0.03939 221 3S 0.00483 -0.00897 -0.04218 0.04827 -0.00000 222 3PX -0.00396 0.00806 -0.01005 -0.01982 0.00000 223 3PY 0.00339 -0.00941 -0.03892 0.04755 -0.00000 224 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.02922 225 4XX -0.00017 0.00032 0.00159 0.00081 -0.00000 226 4YY 0.00011 -0.00040 -0.00178 0.00005 -0.00000 227 4ZZ -0.00014 0.00024 0.00043 -0.00073 -0.00000 228 4XY -0.00045 0.00100 -0.00219 -0.00212 0.00000 229 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00065 230 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00241 231 25 C 1S -0.00318 0.00679 -0.00904 -0.01631 0.00000 232 2S 0.00679 -0.01483 0.02005 0.03403 -0.00000 233 2PX -0.00904 0.02005 -0.02428 -0.04117 0.00000 234 2PY 0.01631 -0.03403 0.04117 0.07975 -0.00000 235 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.02648 236 3S 0.00790 -0.01412 0.02045 0.08586 -0.00000 237 3PX -0.01113 0.02119 -0.01069 -0.08126 0.00000 238 3PY 0.00612 -0.00870 0.03506 -0.00640 0.00000 239 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00618 240 4XX 0.00059 -0.00115 0.00115 0.00258 -0.00000 241 4YY 0.00003 -0.00034 0.00066 0.00157 -0.00000 242 4ZZ -0.00024 0.00040 -0.00018 -0.00077 -0.00000 243 4XY -0.00120 0.00241 -0.00285 -0.00509 0.00000 244 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00163 245 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00072 246 26 C 1S 0.00122 -0.00252 0.00284 0.00652 -0.00000 247 2S -0.00263 0.00514 -0.00697 -0.00975 0.00000 248 2PX -0.00091 0.00153 -0.00321 -0.00715 0.00000 249 2PY -0.00499 0.00942 -0.01093 -0.02351 0.00000 250 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00434 251 3S -0.00818 0.01810 0.00170 -0.09110 0.00000 252 3PX -0.00077 0.00252 0.00328 -0.02521 0.00000 253 3PY -0.00229 0.00565 -0.00136 -0.03696 0.00000 254 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00243 255 4XX -0.00042 0.00093 -0.00120 -0.00232 0.00000 256 4YY 0.00058 -0.00125 0.00185 0.00235 -0.00000 257 4ZZ 0.00003 -0.00015 0.00002 0.00091 0.00000 258 4XY -0.00028 0.00068 -0.00077 -0.00203 0.00000 259 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00024 260 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00196 261 27 C 1S -0.00079 0.00150 -0.00157 -0.00393 0.00000 262 2S 0.00164 -0.00336 0.00443 0.00706 -0.00000 263 2PX -0.00149 0.00239 -0.00337 -0.00786 0.00000 264 2PY 0.00315 -0.00649 0.00724 0.01409 -0.00000 265 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.02803 266 3S 0.00475 -0.00961 0.00078 0.03493 -0.00000 267 3PX -0.00105 0.00136 -0.00779 0.00807 -0.00000 268 3PY 0.00272 -0.00540 -0.00030 0.02054 -0.00000 269 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.02161 270 4XX 0.00006 -0.00012 0.00013 0.00043 -0.00000 271 4YY -0.00020 0.00045 -0.00070 -0.00107 0.00000 272 4ZZ -0.00006 0.00008 0.00007 -0.00038 0.00000 273 4XY -0.00011 0.00019 -0.00027 -0.00058 0.00000 274 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00047 275 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00018 276 28 C 1S -0.00025 0.00057 -0.00054 -0.00091 0.00000 277 2S 0.00063 -0.00149 0.00042 0.00295 -0.00000 278 2PX 0.00010 0.00035 -0.00070 -0.00006 0.00000 279 2PY 0.00091 -0.00216 0.00046 0.00306 -0.00000 280 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.01558 281 3S 0.00104 -0.00184 0.01712 -0.00646 0.00000 282 3PX 0.00103 -0.00232 -0.00283 0.01348 -0.00000 283 3PY -0.00002 -0.00004 0.00729 -0.00247 -0.00000 284 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.01345 285 4XX -0.00001 0.00004 -0.00006 -0.00026 0.00000 286 4YY -0.00003 0.00006 0.00030 -0.00001 0.00000 287 4ZZ 0.00001 -0.00004 -0.00008 0.00012 0.00000 288 4XY -0.00008 0.00016 -0.00023 -0.00026 0.00000 289 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00136 290 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00073 291 29 C 1S -0.00029 0.00070 -0.00170 -0.00186 0.00000 292 2S 0.00053 -0.00151 0.00448 0.00355 -0.00000 293 2PX -0.00073 0.00205 -0.00441 -0.00446 0.00000 294 2PY 0.00071 -0.00212 0.00717 0.00555 0.00000 295 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.02224 296 3S 0.00445 -0.01044 -0.00771 0.03354 -0.00000 297 3PX -0.00047 0.00137 0.01422 -0.01063 0.00000 298 3PY 0.00283 -0.00669 0.00625 0.02352 -0.00000 299 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.01956 300 4XX -0.00024 0.00054 -0.00070 -0.00094 0.00000 301 4YY 0.00021 -0.00045 0.00019 0.00071 0.00000 302 4ZZ -0.00001 -0.00002 0.00002 -0.00004 0.00000 303 4XY 0.00016 -0.00037 0.00026 0.00044 -0.00000 304 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00033 305 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00200 306 30 H 1S -0.00085 0.00198 -0.00331 -0.00380 0.00000 307 2S -0.00196 0.00397 -0.01357 -0.00185 0.00000 308 31 H 1S -0.00000 0.00023 0.00102 0.00030 -0.00000 309 2S -0.00012 0.00048 0.00345 -0.00179 0.00000 310 32 H 1S -0.00100 0.00217 -0.00301 -0.00433 0.00000 311 2S -0.00147 0.00306 -0.00706 -0.00393 0.00000 312 33 H 1S -0.00176 0.00373 -0.00395 -0.00751 0.00000 313 2S -0.00139 0.00357 -0.00455 -0.01184 0.00000 314 34 H 1S 0.00757 -0.01770 0.01118 0.02713 -0.00000 315 2S 0.00166 -0.01192 0.02225 0.00623 -0.00000 196 197 198 199 200 196 3S 0.29448 197 3PX 0.01488 0.06189 198 3PY -0.02535 -0.00501 0.07007 199 3PZ 0.00000 0.00000 -0.00000 0.14447 200 4XX 0.00143 0.00146 -0.00125 0.00000 0.00104 201 4YY -0.00002 -0.00268 -0.00063 -0.00000 -0.00043 202 4ZZ -0.01235 -0.00021 0.00133 -0.00000 0.00006 203 4XY 0.00476 -0.00237 -0.00634 0.00000 0.00009 204 4XZ -0.00000 0.00000 0.00000 0.00045 -0.00000 205 4YZ 0.00000 0.00000 -0.00000 0.00422 0.00000 206 19 H 1S 0.09383 -0.04003 -0.09309 0.00000 -0.00017 207 2S 0.00090 -0.03194 -0.05976 0.00000 -0.00067 208 20 H 1S -0.06327 -0.00016 -0.00195 0.00000 0.00786 209 2S -0.05138 0.01030 -0.00977 0.00000 0.00705 210 21 H 1S 0.03261 -0.02655 0.02015 -0.00000 -0.00027 211 2S 0.02937 -0.02521 0.02913 -0.00000 -0.00061 212 22 H 1S 0.02139 -0.00014 0.00253 -0.00000 -0.00009 213 2S 0.01692 0.00007 0.00450 -0.00000 -0.00057 214 23 H 1S 0.02612 0.01089 -0.01544 0.00000 -0.00170 215 2S 0.04487 0.02887 -0.01168 0.00000 -0.00126 216 24 C 1S 0.00492 0.00341 -0.00009 0.00000 0.00004 217 2S -0.00679 -0.00618 -0.00064 0.00000 -0.00007 218 2PX 0.00093 -0.01199 0.02969 -0.00000 -0.00010 219 2PY -0.02425 -0.01190 0.00053 0.00000 -0.00031 220 2PZ 0.00000 0.00000 0.00000 -0.01848 0.00000 221 3S -0.03321 -0.02843 0.02030 -0.00000 -0.00058 222 3PX 0.00035 0.00150 -0.00750 0.00000 -0.00021 223 3PY -0.03282 -0.02216 0.01684 -0.00000 -0.00049 224 3PZ 0.00000 0.00000 -0.00000 -0.01413 0.00000 225 4XX 0.00100 0.00175 -0.00015 0.00000 -0.00003 226 4YY -0.00138 -0.00153 0.00035 -0.00000 0.00001 227 4ZZ 0.00047 0.00031 -0.00022 -0.00000 0.00002 228 4XY 0.00242 -0.00263 0.00007 -0.00000 0.00006 229 4XZ -0.00000 0.00000 -0.00000 -0.00004 -0.00000 230 4YZ 0.00000 0.00000 -0.00000 0.00159 -0.00000 231 25 C 1S 0.00790 -0.01113 -0.00612 0.00000 0.00059 232 2S -0.01412 0.02118 0.00870 -0.00000 -0.00115 233 2PX 0.02045 -0.01069 -0.03506 0.00000 0.00115 234 2PY -0.08586 0.08126 -0.00640 0.00000 -0.00258 235 2PZ 0.00000 -0.00000 0.00000 -0.00618 0.00000 236 3S -0.02529 0.02729 0.01825 -0.00000 -0.00149 237 3PX 0.02729 0.00167 -0.03801 0.00000 0.00083 238 3PY -0.01825 0.03801 -0.01381 0.00000 -0.00040 239 3PZ 0.00000 -0.00000 0.00000 0.00397 0.00000 240 4XX -0.00149 0.00083 0.00040 -0.00000 -0.00002 241 4YY -0.00104 0.00079 0.00074 -0.00000 -0.00004 242 4ZZ 0.00070 -0.00102 0.00009 -0.00000 0.00006 243 4XY 0.00438 -0.00472 -0.00050 0.00000 0.00015 244 4XZ -0.00000 0.00000 0.00000 -0.00097 -0.00000 245 4YZ 0.00000 -0.00000 -0.00000 0.00033 0.00000 246 26 C 1S -0.00900 0.00797 -0.00447 0.00000 -0.00026 247 2S 0.01613 -0.01801 0.00648 -0.00000 0.00043 248 2PX 0.00890 -0.00802 0.00367 -0.00000 0.00021 249 2PY 0.04787 -0.04662 0.02431 -0.00000 0.00069 250 2PZ -0.00000 0.00000 -0.00000 0.00922 -0.00000 251 3S 0.03960 -0.01421 -0.02140 0.00000 0.00140 252 3PX 0.00766 -0.00026 -0.00658 0.00000 0.00035 253 3PY 0.01954 -0.01083 -0.00334 0.00000 0.00042 254 3PZ -0.00000 0.00000 0.00000 0.00221 -0.00000 255 4XX 0.00182 -0.00145 -0.00074 0.00000 0.00005 256 4YY -0.00235 0.00256 0.00041 0.00000 -0.00008 257 4ZZ -0.00074 0.00053 -0.00006 0.00000 -0.00002 258 4XY 0.00241 -0.00194 0.00028 -0.00000 0.00006 259 4XZ -0.00000 0.00000 -0.00000 0.00002 -0.00000 260 4YZ 0.00000 -0.00000 0.00000 -0.00087 0.00000 261 27 C 1S 0.00609 -0.00480 0.00114 -0.00000 0.00010 262 2S -0.01102 0.00955 -0.00195 0.00000 -0.00026 263 2PX 0.02013 -0.02114 0.01185 -0.00000 -0.00010 264 2PY -0.02197 0.02039 -0.00806 -0.00000 -0.00042 265 2PZ 0.00000 -0.00000 -0.00000 0.01658 0.00000 266 3S -0.02231 0.00811 0.00807 -0.00000 -0.00068 267 3PX 0.00820 -0.01576 0.00997 -0.00000 -0.00002 268 3PY -0.01379 0.00567 0.00225 -0.00000 -0.00037 269 3PZ 0.00000 -0.00000 -0.00000 0.01265 0.00000 270 4XX -0.00004 -0.00016 0.00012 -0.00000 -0.00001 271 4YY 0.00102 -0.00095 0.00003 -0.00000 0.00005 272 4ZZ 0.00024 -0.00001 -0.00004 -0.00000 0.00001 273 4XY 0.00089 -0.00064 0.00005 -0.00000 0.00002 274 4XZ -0.00000 0.00000 -0.00000 -0.00001 -0.00000 275 4YZ -0.00000 0.00000 -0.00000 0.00034 -0.00000 276 28 C 1S 0.00041 0.00099 0.00087 -0.00000 0.00005 277 2S -0.00193 -0.00245 -0.00187 0.00000 -0.00011 278 2PX -0.01087 0.01028 -0.01141 0.00000 0.00027 279 2PY -0.00320 0.00741 -0.01001 0.00000 0.00009 280 2PZ 0.00000 -0.00000 0.00000 0.00450 -0.00000 281 3S 0.00134 0.01224 -0.00377 0.00000 -0.00005 282 3PX -0.00673 -0.00045 0.00236 -0.00000 -0.00001 283 3PY 0.00226 0.00759 -0.00326 0.00000 0.00006 284 3PZ -0.00000 -0.00000 0.00000 0.00465 -0.00000 285 4XX -0.00005 -0.00005 0.00008 -0.00000 -0.00001 286 4YY 0.00002 0.00050 -0.00029 0.00000 0.00001 287 4ZZ -0.00011 0.00003 0.00021 0.00000 0.00000 288 4XY 0.00062 -0.00034 -0.00009 0.00000 0.00001 289 4XZ -0.00000 0.00000 0.00000 -0.00088 -0.00000 290 4YZ 0.00000 -0.00000 0.00000 -0.00050 -0.00000 291 29 C 1S 0.00007 -0.00174 0.00075 -0.00000 0.00001 292 2S 0.00005 0.00589 -0.00129 0.00000 -0.00001 293 2PX 0.00046 -0.00702 0.00503 -0.00000 -0.00014 294 2PY 0.00540 -0.00151 0.01747 -0.00000 -0.00019 295 2PZ -0.00000 0.00000 -0.00000 -0.01629 0.00000 296 3S -0.01765 -0.00680 0.01208 -0.00000 -0.00030 297 3PX 0.00681 0.00581 0.00033 -0.00000 -0.00003 298 3PY -0.00434 0.00161 0.01505 -0.00000 -0.00024 299 3PZ 0.00000 -0.00000 -0.00000 -0.01466 0.00000 300 4XX 0.00096 -0.00073 -0.00046 0.00000 0.00001 301 4YY -0.00070 -0.00004 0.00052 0.00000 -0.00000 302 4ZZ -0.00030 0.00006 0.00000 0.00000 -0.00001 303 4XY -0.00052 0.00009 0.00023 -0.00000 -0.00001 304 4XZ 0.00000 -0.00000 -0.00000 0.00015 0.00000 305 4YZ 0.00000 0.00000 -0.00000 -0.00088 0.00000 306 30 H 1S 0.00302 -0.00255 -0.00016 0.00000 -0.00004 307 2S 0.00322 -0.00720 -0.00126 0.00000 0.00006 308 31 H 1S -0.00372 0.00083 0.00029 -0.00000 -0.00002 309 2S -0.00246 0.00425 -0.00056 0.00000 -0.00001 310 32 H 1S 0.00415 -0.00372 0.00026 -0.00000 0.00023 311 2S 0.00779 -0.00958 0.00207 -0.00000 0.00029 312 33 H 1S 0.00670 -0.00633 -0.00176 0.00000 0.00018 313 2S 0.00573 -0.00374 -0.00547 0.00000 0.00018 314 34 H 1S -0.04657 0.04942 -0.00347 0.00000 -0.00221 315 2S -0.02646 0.03769 -0.00608 0.00000 -0.00122 201 202 203 204 205 201 4YY 0.00099 202 4ZZ 0.00010 0.00094 203 4XY 0.00035 -0.00022 0.00176 204 4XZ -0.00000 0.00000 -0.00000 0.00060 205 4YZ -0.00000 -0.00000 0.00000 -0.00028 0.00038 206 19 H 1S 0.00598 -0.00634 0.01625 -0.00000 -0.00000 207 2S 0.00570 -0.00182 0.01372 -0.00000 -0.00000 208 20 H 1S -0.00471 0.00082 -0.00647 0.00000 0.00000 209 2S -0.00594 0.00133 -0.00416 0.00000 0.00000 210 21 H 1S -0.00215 -0.00013 -0.00067 0.00000 0.00000 211 2S -0.00194 -0.00044 -0.00189 0.00000 0.00000 212 22 H 1S 0.00066 0.00001 0.00058 -0.00000 -0.00000 213 2S 0.00160 -0.00002 0.00170 -0.00000 -0.00000 214 23 H 1S -0.00087 0.00015 -0.00374 0.00000 0.00000 215 2S -0.00185 -0.00059 -0.00551 0.00000 0.00000 216 24 C 1S -0.00027 -0.00012 -0.00047 0.00000 0.00000 217 2S 0.00050 0.00017 0.00121 -0.00000 -0.00000 218 2PX -0.00011 -0.00018 0.00056 -0.00000 0.00000 219 2PY 0.00072 0.00037 0.00184 -0.00000 -0.00000 220 2PZ 0.00000 0.00000 -0.00000 -0.00127 -0.00095 221 3S 0.00067 0.00072 0.00132 -0.00000 -0.00000 222 3PX 0.00036 -0.00064 0.00271 -0.00000 0.00000 223 3PY 0.00034 0.00076 -0.00104 0.00000 -0.00000 224 3PZ 0.00000 -0.00000 0.00000 -0.00126 -0.00045 225 4XX -0.00005 -0.00000 0.00002 -0.00000 0.00000 226 4YY 0.00007 -0.00000 -0.00013 -0.00000 0.00000 227 4ZZ -0.00002 -0.00001 0.00001 -0.00000 0.00000 228 4XY 0.00007 -0.00001 0.00028 -0.00000 -0.00000 229 4XZ -0.00000 0.00000 -0.00000 0.00008 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00020 -0.00008 231 25 C 1S 0.00003 -0.00024 0.00120 -0.00000 0.00000 232 2S -0.00034 0.00040 -0.00241 0.00000 -0.00000 233 2PX 0.00066 -0.00018 0.00285 -0.00000 -0.00000 234 2PY -0.00157 0.00077 -0.00509 0.00000 0.00000 235 2PZ 0.00000 0.00000 0.00000 -0.00163 -0.00072 236 3S -0.00104 0.00070 -0.00438 0.00000 0.00000 237 3PX 0.00079 -0.00102 0.00472 -0.00000 0.00000 238 3PY -0.00074 -0.00009 -0.00050 0.00000 0.00000 239 3PZ 0.00000 0.00000 0.00000 -0.00097 -0.00033 240 4XX -0.00004 0.00006 -0.00015 0.00000 -0.00000 241 4YY -0.00002 -0.00001 -0.00011 0.00000 0.00000 242 4ZZ -0.00001 0.00000 0.00005 -0.00000 -0.00000 243 4XY 0.00011 -0.00005 0.00039 -0.00000 -0.00000 244 4XZ -0.00000 0.00000 -0.00000 -0.00005 -0.00002 245 4YZ 0.00000 -0.00000 0.00000 0.00002 0.00002 246 26 C 1S -0.00018 0.00003 -0.00041 0.00000 0.00000 247 2S 0.00030 -0.00010 0.00073 -0.00000 -0.00000 248 2PX 0.00027 -0.00013 0.00037 -0.00000 -0.00000 249 2PY 0.00078 -0.00027 0.00144 -0.00000 -0.00000 250 2PZ -0.00000 0.00000 -0.00000 0.00005 -0.00060 251 3S 0.00072 -0.00094 0.00461 -0.00000 0.00000 252 3PX 0.00018 -0.00024 0.00110 -0.00000 0.00000 253 3PY 0.00045 -0.00042 0.00206 -0.00000 0.00000 254 3PZ 0.00000 0.00000 -0.00000 -0.00004 -0.00042 255 4XX 0.00005 -0.00002 0.00015 -0.00000 -0.00000 256 4YY -0.00006 0.00002 -0.00018 0.00000 0.00000 257 4ZZ -0.00001 0.00001 -0.00004 0.00000 0.00000 258 4XY 0.00004 -0.00001 0.00011 -0.00000 -0.00000 259 4XZ -0.00000 0.00000 -0.00000 -0.00002 -0.00001 260 4YZ 0.00000 -0.00000 0.00000 -0.00010 -0.00002 261 27 C 1S 0.00012 -0.00005 0.00020 -0.00000 -0.00000 262 2S -0.00018 0.00007 -0.00040 0.00000 0.00000 263 2PX 0.00056 -0.00012 0.00054 -0.00000 -0.00000 264 2PY -0.00025 0.00011 -0.00087 -0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00134 -0.00006 266 3S -0.00031 0.00041 -0.00180 0.00000 -0.00000 267 3PX 0.00025 0.00012 -0.00030 0.00000 -0.00000 268 3PY -0.00015 0.00020 -0.00098 0.00000 0.00000 269 3PZ 0.00000 0.00000 0.00000 0.00106 -0.00006 270 4XX -0.00000 0.00001 -0.00002 0.00000 -0.00000 271 4YY 0.00002 -0.00001 0.00007 -0.00000 0.00000 272 4ZZ 0.00000 -0.00000 0.00001 -0.00000 0.00000 273 4XY 0.00001 -0.00001 0.00004 -0.00000 -0.00000 274 4XZ -0.00000 -0.00000 -0.00000 0.00002 0.00003 275 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00002 276 28 C 1S -0.00003 -0.00001 0.00001 -0.00000 0.00000 277 2S 0.00003 0.00003 -0.00002 0.00000 -0.00000 278 2PX -0.00031 0.00006 0.00008 -0.00000 0.00000 279 2PY -0.00011 -0.00001 0.00009 -0.00000 -0.00000 280 2PZ -0.00000 -0.00000 -0.00000 0.00055 0.00057 281 3S -0.00023 -0.00015 0.00016 -0.00000 0.00000 282 3PX -0.00014 0.00023 -0.00083 0.00000 -0.00000 283 3PY -0.00013 -0.00010 0.00018 -0.00000 -0.00000 284 3PZ -0.00000 -0.00000 -0.00000 0.00050 0.00041 285 4XX 0.00001 0.00000 0.00003 -0.00000 -0.00000 286 4YY -0.00002 -0.00001 -0.00004 0.00000 0.00000 287 4ZZ -0.00000 0.00000 -0.00001 0.00000 -0.00000 288 4XY 0.00001 -0.00000 0.00003 0.00000 -0.00000 289 4XZ -0.00000 -0.00000 0.00000 -0.00007 0.00002 290 4YZ 0.00000 -0.00000 0.00000 -0.00005 0.00002 291 29 C 1S 0.00006 0.00000 0.00044 -0.00000 -0.00000 292 2S -0.00019 -0.00007 -0.00079 0.00000 0.00000 293 2PX 0.00032 0.00011 0.00059 -0.00000 -0.00000 294 2PY -0.00014 -0.00011 -0.00118 0.00000 -0.00000 295 2PZ -0.00000 -0.00000 0.00000 -0.00128 0.00047 296 3S -0.00028 0.00051 -0.00322 0.00000 -0.00000 297 3PX -0.00007 -0.00014 0.00058 -0.00000 0.00000 298 3PY -0.00029 0.00028 -0.00247 0.00000 -0.00000 299 3PZ -0.00000 -0.00000 0.00000 -0.00110 0.00043 300 4XX 0.00004 -0.00000 0.00005 -0.00000 -0.00000 301 4YY -0.00002 0.00001 0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00000 303 4XY -0.00001 0.00000 0.00002 -0.00000 0.00000 304 4XZ 0.00000 -0.00000 -0.00000 0.00002 0.00000 305 4YZ 0.00000 0.00000 0.00000 -0.00007 -0.00005 306 30 H 1S 0.00021 0.00004 0.00015 -0.00000 -0.00000 307 2S 0.00038 0.00007 0.00028 -0.00000 -0.00000 308 31 H 1S -0.00008 0.00002 -0.00017 0.00000 0.00000 309 2S -0.00011 -0.00005 -0.00014 0.00000 0.00000 310 32 H 1S -0.00004 -0.00002 0.00032 -0.00000 0.00000 311 2S 0.00010 -0.00002 0.00041 -0.00000 -0.00000 312 33 H 1S 0.00011 -0.00003 0.00056 -0.00000 -0.00000 313 2S 0.00018 -0.00007 0.00076 -0.00000 -0.00000 314 34 H 1S -0.00017 -0.00017 -0.00177 0.00000 0.00000 315 2S -0.00045 -0.00014 -0.00124 0.00000 0.00000 206 207 208 209 210 206 19 H 1S 0.23200 207 2S 0.16096 0.14120 208 20 H 1S -0.02776 -0.02309 0.21552 209 2S -0.02772 -0.02433 0.15049 0.12096 210 21 H 1S -0.00922 -0.02412 -0.02074 -0.01790 0.21451 211 2S -0.01980 -0.03000 -0.01797 -0.01617 0.14513 212 22 H 1S 0.00243 0.00331 -0.01233 -0.02428 -0.02074 213 2S 0.00718 0.01200 -0.02428 -0.03489 -0.01790 214 23 H 1S -0.01525 -0.03683 0.00243 0.00718 -0.00922 215 2S -0.03683 -0.05898 0.00331 0.01200 -0.02412 216 24 C 1S 0.00037 -0.00350 0.00048 0.00056 0.00018 217 2S 0.00103 0.00759 -0.00135 -0.00153 -0.00048 218 2PX 0.00695 -0.00598 0.00085 0.00116 -0.00012 219 2PY 0.00070 0.01503 -0.00154 -0.00244 -0.00108 220 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 221 3S -0.01562 0.00389 -0.00078 -0.00293 -0.00147 222 3PX 0.02674 0.01981 -0.00460 -0.00210 -0.00186 223 3PY -0.01659 -0.00517 0.00823 0.00335 0.00215 224 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 225 4XX -0.00062 0.00017 0.00028 0.00032 -0.00009 226 4YY 0.00049 -0.00051 -0.00026 -0.00032 0.00007 227 4ZZ 0.00041 0.00012 -0.00004 0.00000 -0.00002 228 4XY 0.00094 0.00102 -0.00022 -0.00043 -0.00015 229 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 230 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 231 25 C 1S 0.00757 0.00166 -0.00176 -0.00139 -0.00100 232 2S -0.01770 -0.01192 0.00373 0.00357 0.00217 233 2PX 0.01118 0.02225 -0.00395 -0.00455 -0.00301 234 2PY -0.02713 -0.00623 0.00751 0.01184 0.00433 235 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 236 3S -0.04657 -0.02646 0.00670 0.00573 0.00415 237 3PX 0.04942 0.03769 -0.00633 -0.00374 -0.00372 238 3PY 0.00347 0.00608 0.00176 0.00547 -0.00026 239 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 240 4XX -0.00221 -0.00122 0.00018 0.00018 0.00023 241 4YY -0.00017 -0.00045 0.00011 0.00018 -0.00004 242 4ZZ -0.00017 -0.00014 -0.00003 -0.00007 -0.00002 243 4XY 0.00177 0.00124 -0.00056 -0.00076 -0.00032 244 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 246 26 C 1S -0.00185 -0.00056 0.00054 0.00122 0.00033 247 2S 0.00205 -0.00258 -0.00107 -0.00208 -0.00058 248 2PX 0.00531 0.00166 -0.00073 -0.00127 -0.00053 249 2PY 0.00530 -0.01185 -0.00194 -0.00513 -0.00109 250 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.04474 0.02744 -0.00576 -0.00362 -0.00451 252 3PX 0.01297 0.00876 -0.00118 -0.00041 -0.00163 253 3PY 0.02060 0.00904 -0.00200 -0.00168 -0.00208 254 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 255 4XX 0.00081 0.00042 -0.00023 -0.00027 -0.00017 256 4YY -0.00062 -0.00029 0.00029 0.00040 0.00022 257 4ZZ -0.00035 0.00002 0.00003 0.00004 0.00004 258 4XY 0.00056 0.00019 -0.00013 -0.00029 -0.00013 259 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 261 27 C 1S 0.00118 -0.00109 -0.00037 -0.00067 -0.00021 262 2S -0.00167 0.00053 0.00067 0.00149 0.00050 263 2PX 0.00220 -0.01235 -0.00054 -0.00114 -0.00027 264 2PY -0.00276 -0.00009 0.00124 0.00313 0.00081 265 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 266 3S -0.01543 -0.00872 0.00376 0.00291 0.00217 267 3PX -0.00694 -0.00947 0.00042 -0.00110 0.00049 268 3PY -0.00806 -0.00571 0.00169 0.00168 0.00098 269 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 270 4XX -0.00033 -0.00061 0.00006 0.00007 0.00004 271 4YY 0.00042 0.00053 -0.00013 -0.00022 -0.00010 272 4ZZ 0.00017 0.00014 -0.00003 -0.00003 -0.00000 273 4XY 0.00023 -0.00007 -0.00005 -0.00011 -0.00004 274 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00023 0.00278 -0.00009 -0.00031 0.00003 277 2S -0.00091 -0.00629 0.00040 0.00084 0.00002 278 2PX 0.00079 0.01057 -0.00018 0.00001 -0.00043 279 2PY -0.00046 -0.00255 0.00016 0.00077 -0.00030 280 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 281 3S 0.00235 -0.00122 -0.00082 0.00112 -0.00062 282 3PX -0.00851 -0.00307 0.00204 0.00079 0.00092 283 3PY 0.00056 0.00096 -0.00112 -0.00021 -0.00051 284 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 285 4XX 0.00013 0.00033 0.00000 -0.00001 -0.00001 286 4YY 0.00004 -0.00003 -0.00006 -0.00001 0.00001 287 4ZZ -0.00007 0.00019 0.00003 -0.00001 0.00002 288 4XY -0.00005 -0.00003 -0.00004 -0.00009 -0.00003 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 291 29 C 1S 0.00062 0.00354 -0.00020 -0.00043 -0.00031 292 2S -0.00074 -0.00605 0.00008 0.00075 0.00055 293 2PX -0.00012 0.00873 -0.00022 -0.00144 -0.00028 294 2PY -0.00090 -0.00961 0.00080 0.00107 0.00125 295 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 296 3S -0.01710 -0.02291 0.00728 0.00475 0.00378 297 3PX 0.00243 0.00373 -0.00325 -0.00173 -0.00094 298 3PY -0.01563 -0.01593 0.00445 0.00284 0.00249 299 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 300 4XX 0.00010 0.00029 -0.00009 -0.00017 -0.00003 301 4YY -0.00019 -0.00019 0.00018 0.00018 0.00002 302 4ZZ 0.00005 0.00031 -0.00005 -0.00004 -0.00001 303 4XY 0.00003 -0.00023 0.00005 0.00009 -0.00004 304 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 305 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 306 30 H 1S -0.00012 0.00396 -0.00044 -0.00117 -0.00009 307 2S -0.00041 0.00615 0.00087 -0.00100 -0.00019 308 31 H 1S 0.00027 0.00200 -0.00001 0.00016 0.00012 309 2S 0.00170 0.00312 -0.00069 -0.00007 -0.00003 310 32 H 1S 0.00109 0.00384 -0.00048 -0.00118 -0.00040 311 2S 0.00075 0.00154 -0.00066 -0.00178 -0.00060 312 33 H 1S 0.00108 -0.00013 -0.00070 -0.00087 -0.00048 313 2S 0.00417 0.00332 -0.00087 -0.00085 -0.00118 314 34 H 1S 0.01395 0.01232 0.00108 0.00417 0.00109 315 2S 0.01232 0.00394 -0.00013 0.00332 0.00383 211 212 213 214 215 211 2S 0.11572 212 22 H 1S -0.01797 0.21552 213 2S -0.01617 0.15049 0.12096 214 23 H 1S -0.01980 -0.02776 -0.02772 0.23200 215 2S -0.03000 -0.02309 -0.02433 0.16096 0.14120 216 24 C 1S 0.00051 -0.00150 -0.00205 0.00002 0.00074 217 2S -0.00119 0.00341 0.00435 -0.00025 -0.00166 218 2PX 0.00262 0.00205 0.00000 0.00264 0.01087 219 2PY -0.00243 0.00523 0.00805 0.00119 -0.00349 220 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 221 3S -0.00105 0.00210 0.00683 0.00208 -0.00401 222 3PX -0.00363 -0.00177 0.00233 -0.00056 -0.00138 223 3PY 0.00143 0.00125 0.00354 0.00742 0.00171 224 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 225 4XX -0.00015 0.00021 0.00028 0.00035 0.00031 226 4YY 0.00020 -0.00053 -0.00060 -0.00030 -0.00018 227 4ZZ -0.00006 -0.00000 -0.00001 -0.00006 -0.00006 228 4XY -0.00022 0.00026 0.00037 0.00002 -0.00031 229 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 230 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S -0.00147 -0.00000 -0.00012 -0.00085 -0.00196 232 2S 0.00306 0.00023 0.00048 0.00198 0.00397 233 2PX -0.00706 0.00102 0.00345 -0.00331 -0.01357 234 2PY 0.00393 -0.00030 0.00179 0.00380 0.00185 235 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 236 3S 0.00779 -0.00372 -0.00246 0.00302 0.00322 237 3PX -0.00958 0.00083 0.00425 -0.00255 -0.00720 238 3PY -0.00207 -0.00029 0.00056 0.00016 0.00126 239 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 240 4XX 0.00029 -0.00002 -0.00001 -0.00004 0.00006 241 4YY 0.00010 -0.00008 -0.00011 0.00021 0.00038 242 4ZZ -0.00002 0.00002 -0.00005 0.00004 0.00007 243 4XY -0.00041 0.00017 0.00014 -0.00015 -0.00028 244 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 245 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 246 26 C 1S -0.00001 -0.00002 0.00047 0.00012 -0.00103 247 2S 0.00019 0.00003 -0.00088 -0.00026 0.00168 248 2PX -0.00019 0.00030 0.00092 -0.00018 -0.00142 249 2PY 0.00134 0.00020 -0.00244 -0.00018 0.00773 250 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 251 3S -0.00865 0.00128 0.00133 -0.00135 0.00040 252 3PX -0.00296 0.00057 0.00092 -0.00036 -0.00080 253 3PY -0.00309 0.00038 0.00060 -0.00196 0.00051 254 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 255 4XX -0.00025 0.00003 0.00001 -0.00018 -0.00020 256 4YY 0.00023 -0.00002 0.00002 0.00021 0.00032 257 4ZZ 0.00005 0.00001 0.00003 0.00001 -0.00010 258 4XY -0.00012 0.00002 -0.00004 -0.00012 -0.00005 259 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 260 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 261 27 C 1S -0.00004 -0.00004 -0.00021 -0.00016 -0.00033 262 2S 0.00021 0.00007 0.00040 0.00043 0.00091 263 2PX 0.00116 0.00020 -0.00114 -0.00031 0.00581 264 2PY 0.00023 0.00006 0.00157 0.00048 -0.00306 265 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 266 3S 0.00337 0.00019 0.00015 0.00069 0.00146 267 3PX 0.00185 0.00037 -0.00076 0.00060 0.00255 268 3PY 0.00166 -0.00022 0.00038 -0.00031 -0.00162 269 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 270 4XX 0.00007 0.00001 -0.00002 0.00003 0.00010 271 4YY -0.00010 0.00001 0.00001 -0.00008 -0.00020 272 4ZZ -0.00002 0.00000 -0.00001 0.00001 0.00002 273 4XY -0.00006 0.00006 0.00010 0.00003 0.00001 274 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 275 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 276 28 C 1S 0.00004 -0.00027 -0.00063 -0.00015 0.00134 277 2S -0.00005 0.00073 0.00143 0.00036 -0.00235 278 2PX -0.00182 0.00051 0.00211 0.00007 -0.00788 279 2PY -0.00140 0.00141 0.00397 0.00087 -0.00426 280 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 281 3S -0.00064 0.00107 0.00106 0.00150 0.00021 282 3PX 0.00122 0.00097 0.00060 0.00174 -0.00096 283 3PY -0.00063 0.00070 0.00126 0.00088 -0.00012 284 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 285 4XX -0.00004 0.00004 0.00003 -0.00001 0.00016 286 4YY 0.00003 -0.00012 -0.00013 -0.00002 -0.00020 287 4ZZ 0.00002 0.00001 -0.00003 -0.00000 0.00014 288 4XY -0.00005 0.00005 0.00009 0.00002 0.00001 289 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 290 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.00046 0.00061 0.00052 0.00007 0.00061 292 2S 0.00093 -0.00148 -0.00142 -0.00029 -0.00028 293 2PX -0.00043 0.00085 0.00025 -0.00048 0.00276 294 2PY 0.00375 -0.00287 -0.00649 -0.00049 0.00970 295 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 296 3S 0.00497 -0.00205 -0.00401 0.00233 0.00429 297 3PX -0.00029 0.00131 0.00042 -0.00186 0.00139 298 3PY 0.00470 -0.00111 -0.00437 0.00401 0.00782 299 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 300 4XX -0.00009 -0.00009 -0.00006 -0.00011 -0.00009 301 4YY 0.00003 0.00027 0.00024 0.00015 0.00004 302 4ZZ -0.00002 0.00002 0.00003 -0.00003 -0.00004 303 4XY -0.00004 0.00015 0.00024 0.00006 -0.00003 304 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 305 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 306 30 H 1S -0.00037 -0.00028 -0.00051 -0.00052 0.00135 307 2S -0.00094 -0.00127 -0.00051 0.00135 -0.00079 308 31 H 1S 0.00027 -0.00063 -0.00118 -0.00028 -0.00127 309 2S 0.00016 -0.00118 -0.00170 -0.00051 -0.00051 310 32 H 1S -0.00060 0.00012 -0.00003 -0.00009 -0.00019 311 2S -0.00044 0.00027 0.00016 -0.00037 -0.00094 312 33 H 1S -0.00066 -0.00001 -0.00069 -0.00044 0.00087 313 2S -0.00178 0.00016 -0.00007 -0.00117 -0.00100 314 34 H 1S 0.00075 0.00027 0.00170 -0.00012 -0.00041 315 2S 0.00154 0.00200 0.00312 0.00396 0.00615 216 217 218 219 220 216 24 C 1S 2.05001 217 2S -0.06214 0.33248 218 2PX 0.00304 -0.00806 0.41741 219 2PY 0.00526 -0.01396 -0.01947 0.39494 220 2PZ -0.00000 0.00000 0.00000 -0.00000 0.35424 221 3S -0.17476 0.27513 0.01911 0.03310 -0.00000 222 3PX -0.00746 0.02022 0.08655 -0.00970 0.00000 223 3PY -0.01292 0.03502 -0.00970 0.07535 -0.00000 224 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.22567 225 4XX -0.01700 -0.00284 -0.01465 0.00306 -0.00000 226 4YY -0.01815 -0.00059 0.01556 -0.00148 0.00000 227 4ZZ -0.01101 -0.01548 0.00029 0.00051 0.00000 228 4XY -0.00115 0.00226 -0.00262 0.01441 -0.00000 229 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00159 230 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00275 231 25 C 1S 0.01605 -0.03312 0.07925 0.00042 0.00000 232 2S -0.03148 0.05800 -0.15895 0.00402 -0.00000 233 2PX -0.07483 0.15682 -0.31577 -0.00078 -0.00000 234 2PY -0.00839 0.01871 -0.03250 0.01658 -0.00000 235 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.18508 236 3S -0.00739 0.03874 -0.20357 -0.01087 -0.00000 237 3PX -0.00729 0.03229 -0.09749 -0.00344 -0.00000 238 3PY 0.00314 -0.00967 -0.02515 0.04240 -0.00000 239 3PZ -0.00000 0.00000 0.00000 -0.00000 0.11622 240 4XX -0.00643 0.01143 -0.00601 -0.00397 0.00000 241 4YY 0.00248 -0.00617 0.01009 0.00160 -0.00000 242 4ZZ 0.00193 -0.00438 0.00671 0.00092 -0.00000 243 4XY -0.00059 0.00116 -0.00483 0.01172 -0.00000 244 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.01265 245 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00195 246 26 C 1S -0.00322 0.00795 -0.01260 -0.00442 0.00000 247 2S 0.00750 -0.01618 0.02934 0.00953 -0.00000 248 2PX 0.01411 -0.03018 0.04371 0.00927 -0.00000 249 2PY 0.01103 -0.02823 0.03004 0.01433 0.00000 250 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.02015 251 3S 0.00307 -0.01588 0.03020 0.04641 -0.00000 252 3PX 0.00085 -0.01011 0.01105 0.01833 -0.00000 253 3PY 0.00973 -0.01873 0.02701 0.02266 -0.00000 254 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.02748 255 4XX -0.00162 0.00367 -0.00897 0.00003 -0.00000 256 4YY 0.00109 -0.00213 0.00466 -0.00086 -0.00000 257 4ZZ -0.00010 0.00045 -0.00052 0.00005 -0.00000 258 4XY -0.00069 0.00123 -0.00482 -0.00052 -0.00000 259 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00195 260 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00926 261 27 C 1S -0.00276 0.00434 -0.00332 -0.00576 0.00000 262 2S 0.00472 -0.00853 0.00714 0.01237 -0.00000 263 2PX 0.00337 -0.00496 -0.01808 0.02319 -0.00000 264 2PY 0.00584 -0.00859 0.02319 0.00870 0.00000 265 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.11499 266 3S 0.01892 -0.02455 0.01243 0.02152 -0.00000 267 3PX 0.00422 -0.00488 -0.01508 0.01160 -0.00000 268 3PY 0.00731 -0.00845 0.01159 -0.00169 0.00000 269 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.08684 270 4XX -0.00030 0.00064 -0.00188 0.00049 -0.00000 271 4YY 0.00032 -0.00093 0.00194 -0.00037 0.00000 272 4ZZ -0.00037 0.00050 -0.00018 -0.00031 0.00000 273 4XY 0.00062 -0.00157 -0.00050 0.00163 -0.00000 274 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00009 275 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00015 276 28 C 1S -0.00322 0.00795 0.00247 -0.01312 0.00000 277 2S 0.00750 -0.01618 -0.00642 0.03018 -0.00000 278 2PX 0.00250 -0.00936 0.00465 0.00749 -0.00000 279 2PY 0.01773 -0.04025 -0.01328 0.05338 -0.00000 280 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.02015 281 3S 0.00307 -0.01588 0.02509 0.04936 -0.00000 282 3PX 0.00800 -0.01117 0.00013 0.02070 -0.00000 283 3PY 0.00560 -0.01812 0.01202 0.03358 -0.00000 284 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.02748 285 4XX 0.00093 -0.00160 -0.00264 0.00409 -0.00000 286 4YY -0.00146 0.00314 0.00408 -0.00824 0.00000 287 4ZZ -0.00010 0.00045 0.00030 -0.00042 -0.00000 288 4XY 0.00101 -0.00229 -0.00282 0.00346 -0.00000 289 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00704 290 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00632 291 29 C 1S 0.01605 -0.03312 -0.03926 0.06885 -0.00000 292 2S -0.03148 0.05800 0.08296 -0.13564 0.00000 293 2PX 0.03015 -0.06221 -0.05210 0.11973 -0.00000 294 2PY -0.06900 0.14517 0.15145 -0.24709 0.00000 295 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.18508 296 3S -0.00739 0.03873 0.09237 -0.18173 0.00000 297 3PX 0.00637 -0.02452 0.01981 0.04257 -0.00000 298 3PY -0.00475 0.02313 0.06429 -0.07490 0.00000 299 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.11622 300 4XX 0.00069 -0.00265 -0.01228 0.00410 -0.00000 301 4YY -0.00465 0.00790 0.00818 -0.00175 -0.00000 302 4ZZ 0.00193 -0.00438 -0.00256 0.00627 -0.00000 303 4XY 0.00416 -0.00822 0.00467 0.00920 -0.00000 304 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00464 305 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.01193 306 30 H 1S 0.01095 -0.02470 -0.03952 0.03869 -0.00000 307 2S 0.01379 -0.02540 -0.10526 0.06557 -0.00000 308 31 H 1S -0.00861 0.01797 0.01684 -0.03049 0.00000 309 2S -0.01127 0.02213 0.02996 -0.04800 0.00000 310 32 H 1S 0.00017 -0.00246 -0.00120 -0.00207 0.00000 311 2S 0.00234 -0.00585 0.00005 0.00009 -0.00000 312 33 H 1S -0.00861 0.01797 -0.03483 -0.00066 -0.00000 313 2S -0.01127 0.02213 -0.05655 0.00194 -0.00000 314 34 H 1S 0.01095 -0.02470 0.05327 -0.01488 0.00000 315 2S 0.01379 -0.02540 0.10942 -0.05838 0.00000 221 222 223 224 225 221 3S 0.32445 222 3PX 0.03672 0.05421 223 3PY 0.06360 -0.00204 0.05185 224 3PZ -0.00000 0.00000 -0.00000 0.14580 225 4XX -0.00342 -0.00274 0.00014 -0.00000 0.00124 226 4YY 0.00045 0.00237 -0.00077 0.00000 -0.00077 227 4ZZ -0.01158 -0.00084 -0.00146 0.00000 0.00023 228 4XY 0.00387 -0.00053 0.00234 -0.00000 0.00005 229 4XZ -0.00000 0.00000 -0.00000 -0.00105 0.00000 230 4YZ 0.00000 -0.00000 0.00000 -0.00182 0.00000 231 25 C 1S 0.01064 0.00750 -0.00182 0.00000 -0.00719 232 2S 0.00232 -0.02934 -0.00925 0.00000 0.01239 233 2PX 0.12850 -0.05197 0.03105 -0.00000 0.00703 234 2PY 0.01091 0.02192 0.00945 -0.00000 0.00205 235 2PZ -0.00000 -0.00000 -0.00000 0.11392 -0.00000 236 3S 0.00310 -0.01893 -0.00655 0.00000 0.01340 237 3PX 0.00775 -0.00030 -0.00262 0.00000 0.00283 238 3PY -0.02477 0.00268 -0.00395 -0.00000 0.00260 239 3PZ 0.00000 -0.00000 -0.00000 0.07216 -0.00000 240 4XX 0.01084 -0.00123 0.00143 -0.00000 0.00001 241 4YY -0.00695 0.00303 -0.00087 -0.00000 -0.00016 242 4ZZ -0.00120 0.00080 0.00052 -0.00000 -0.00048 243 4XY 0.00424 -0.00312 0.00311 -0.00000 0.00007 244 4XZ -0.00000 0.00000 -0.00000 0.00830 -0.00000 245 4YZ 0.00000 -0.00000 -0.00000 0.00172 0.00000 246 26 C 1S -0.00056 0.00629 0.00359 -0.00000 -0.00023 247 2S -0.01405 0.00075 0.00521 -0.00000 0.00043 248 2PX -0.09434 0.03974 -0.02234 0.00000 0.00264 249 2PY -0.01089 -0.04291 -0.00949 0.00000 0.00189 250 2PZ 0.00000 0.00000 0.00000 -0.02636 -0.00000 251 3S -0.01796 -0.00201 -0.00025 0.00000 0.00051 252 3PX -0.03556 0.00887 -0.00754 0.00000 0.00108 253 3PY -0.01985 -0.00718 -0.00431 0.00000 -0.00002 254 3PZ 0.00000 0.00000 0.00000 -0.02558 0.00000 255 4XX 0.00458 -0.00435 0.00256 -0.00000 0.00006 256 4YY -0.00391 0.00259 -0.00208 -0.00000 0.00013 257 4ZZ 0.00120 0.00025 -0.00022 -0.00000 -0.00006 258 4XY 0.00186 -0.00220 -0.00159 0.00000 0.00030 259 4XZ -0.00000 0.00000 0.00000 0.00076 -0.00000 260 4YZ 0.00000 -0.00000 -0.00000 0.00638 -0.00000 261 27 C 1S 0.02110 -0.00784 -0.01358 0.00000 -0.00033 262 2S -0.03399 0.01115 0.01931 -0.00000 0.00080 263 2PX -0.03689 -0.03633 0.03958 -0.00000 0.00202 264 2PY -0.06389 0.03958 0.00937 0.00000 -0.00057 265 2PZ 0.00000 -0.00000 0.00000 -0.09179 0.00000 266 3S -0.04015 0.01035 0.01792 -0.00000 0.00157 267 3PX -0.01047 -0.01751 0.01654 -0.00000 0.00151 268 3PY -0.01813 0.01654 0.00160 0.00000 -0.00074 269 3PZ 0.00000 -0.00000 0.00000 -0.06699 0.00000 270 4XX 0.00178 -0.00152 0.00127 -0.00000 -0.00012 271 4YY -0.00038 0.00109 -0.00201 0.00000 0.00000 272 4ZZ 0.00141 -0.00038 -0.00066 0.00000 -0.00000 273 4XY -0.00216 -0.00189 -0.00068 0.00000 -0.00011 274 4XZ 0.00000 0.00000 0.00000 -0.00037 0.00000 275 4YZ -0.00000 -0.00000 0.00000 -0.00064 -0.00000 276 28 C 1S -0.00056 -0.00003 0.00725 -0.00000 0.00118 277 2S -0.01405 0.00414 0.00326 -0.00000 -0.00229 278 2PX 0.03774 0.03107 -0.04792 0.00000 -0.00216 279 2PY -0.08714 -0.02735 -0.00083 0.00000 -0.00446 280 2PZ 0.00000 0.00000 0.00000 -0.02636 0.00000 281 3S -0.01795 0.00079 -0.00186 0.00000 -0.00331 282 3PX 0.00059 0.00536 -0.00921 0.00000 -0.00016 283 3PY -0.04072 -0.00957 -0.00080 0.00000 -0.00151 284 3PZ 0.00000 0.00000 0.00000 -0.02558 0.00000 285 4XX -0.00318 -0.00102 0.00231 -0.00000 0.00047 286 4YY 0.00385 0.00231 -0.00359 -0.00000 -0.00040 287 4ZZ 0.00120 -0.00031 0.00011 -0.00000 0.00008 288 4XY -0.00331 -0.00388 0.00050 -0.00000 0.00008 289 4XZ 0.00000 0.00000 -0.00000 0.00514 -0.00000 290 4YZ -0.00000 -0.00000 0.00000 0.00385 0.00000 291 29 C 1S 0.01064 -0.00533 0.00559 -0.00000 0.00124 292 2S 0.00232 0.00666 -0.03003 0.00000 -0.00395 293 2PX -0.05480 -0.02884 0.03528 -0.00000 0.01238 294 2PY 0.11673 0.04440 -0.01368 -0.00000 -0.00432 295 2PZ -0.00000 -0.00000 -0.00000 0.11392 0.00000 296 3S 0.00310 0.00380 -0.01967 0.00000 -0.00452 297 3PX -0.02532 -0.00306 0.00109 -0.00000 0.00324 298 3PY -0.00568 -0.00421 -0.00118 -0.00000 -0.00196 299 3PZ 0.00000 0.00000 -0.00000 0.07216 0.00000 300 4XX -0.00568 -0.00442 0.00242 -0.00000 0.00090 301 4YY 0.00957 0.00401 -0.00058 -0.00000 -0.00056 302 4ZZ -0.00120 0.00005 0.00095 -0.00000 0.00012 303 4XY -0.00677 0.00007 0.00069 0.00000 -0.00033 304 4XZ 0.00000 -0.00000 0.00000 -0.00266 0.00000 305 4YZ -0.00000 -0.00000 -0.00000 0.00805 0.00000 306 30 H 1S -0.04895 -0.03206 0.01722 -0.00000 0.00738 307 2S -0.04426 -0.04090 0.02500 -0.00000 0.00823 308 31 H 1S 0.05324 0.03252 -0.01751 0.00000 -0.00006 309 2S 0.04262 0.03226 -0.01898 0.00000 -0.00046 310 32 H 1S 0.02250 -0.00664 -0.01150 0.00000 -0.00030 311 2S 0.01763 -0.00783 -0.01356 0.00000 -0.00083 312 33 H 1S 0.05324 -0.03142 0.01941 -0.00000 -0.00095 313 2S 0.04262 -0.03256 0.01845 -0.00000 -0.00006 314 34 H 1S -0.04895 0.03095 -0.01916 0.00000 0.00237 315 2S -0.04426 0.04210 -0.02292 0.00000 -0.00254 226 227 228 229 230 226 4YY 0.00130 227 4ZZ 0.00010 0.00084 228 4XY 0.00001 -0.00013 0.00134 229 4XZ 0.00000 0.00000 -0.00000 0.00060 230 4YZ -0.00000 -0.00000 0.00000 -0.00013 0.00045 231 25 C 1S 0.00325 0.00174 -0.00080 0.00000 -0.00000 232 2S -0.00765 -0.00398 0.00175 -0.00000 0.00000 233 2PX -0.01168 -0.00610 0.00390 -0.00000 0.00000 234 2PY -0.00277 -0.00028 -0.01351 0.00000 0.00000 235 2PZ 0.00000 -0.00000 0.00000 -0.01186 0.00172 236 3S -0.00969 -0.00305 0.00080 0.00000 0.00000 237 3PX -0.00422 -0.00114 0.00114 -0.00000 0.00000 238 3PY -0.00233 0.00061 -0.00390 0.00000 0.00000 239 3PZ 0.00000 -0.00000 0.00000 -0.00831 0.00170 240 4XX -0.00015 -0.00048 -0.00022 0.00000 0.00000 241 4YY 0.00037 0.00025 -0.00007 -0.00000 -0.00000 242 4ZZ 0.00028 0.00026 -0.00004 -0.00000 -0.00000 243 4XY -0.00016 -0.00004 0.00105 -0.00000 0.00000 244 4XZ 0.00000 0.00000 -0.00000 0.00020 -0.00019 245 4YZ -0.00000 -0.00000 -0.00000 0.00033 0.00000 246 26 C 1S -0.00015 -0.00003 -0.00181 0.00000 0.00000 247 2S 0.00052 0.00035 0.00371 -0.00000 -0.00000 248 2PX 0.00063 0.00063 0.00521 -0.00000 -0.00000 249 2PY 0.00211 -0.00001 0.00821 -0.00000 -0.00000 250 2PZ -0.00000 -0.00000 -0.00000 -0.01126 0.00185 251 3S -0.00089 0.00093 0.00370 -0.00000 0.00000 252 3PX -0.00034 0.00044 0.00166 -0.00000 0.00000 253 3PY 0.00146 0.00046 0.00264 0.00000 -0.00000 254 3PZ -0.00000 -0.00000 0.00000 -0.00747 0.00162 255 4XX -0.00029 -0.00012 0.00005 -0.00000 0.00000 256 4YY 0.00011 0.00005 -0.00027 0.00000 -0.00000 257 4ZZ -0.00001 -0.00000 -0.00013 0.00000 -0.00000 258 4XY -0.00011 -0.00012 0.00051 -0.00000 0.00000 259 4XZ 0.00000 0.00000 -0.00000 -0.00025 -0.00008 260 4YZ -0.00000 -0.00000 0.00000 -0.00033 0.00015 261 27 C 1S 0.00038 -0.00044 0.00072 -0.00000 -0.00000 262 2S -0.00115 0.00069 -0.00195 0.00000 0.00000 263 2PX -0.00261 0.00048 0.00006 0.00000 0.00000 264 2PY -0.00047 0.00084 -0.00261 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 -0.00181 -0.00314 266 3S -0.00046 0.00091 -0.00203 0.00000 -0.00000 267 3PX -0.00143 0.00016 0.00094 -0.00000 0.00000 268 3PY 0.00089 0.00028 -0.00061 0.00000 -0.00000 269 3PZ 0.00000 0.00000 0.00000 -0.00091 -0.00157 270 4XX 0.00004 -0.00001 -0.00007 0.00000 -0.00000 271 4YY 0.00017 -0.00001 0.00040 0.00000 -0.00000 272 4ZZ -0.00002 -0.00002 -0.00002 0.00000 -0.00000 273 4XY 0.00036 0.00000 0.00032 -0.00000 -0.00000 274 4XZ 0.00000 0.00000 -0.00000 0.00046 -0.00038 275 4YZ -0.00000 -0.00000 -0.00000 -0.00038 0.00002 276 28 C 1S -0.00157 -0.00003 -0.00086 0.00000 0.00000 277 2S 0.00324 0.00035 0.00190 -0.00000 -0.00000 278 2PX 0.00399 -0.00032 0.00285 -0.00000 -0.00000 279 2PY 0.00928 0.00054 0.00350 -0.00000 -0.00000 280 2PZ 0.00000 0.00000 -0.00000 0.00723 -0.00882 281 3S 0.00293 0.00093 0.00115 -0.00000 -0.00000 282 3PX 0.00103 0.00018 0.00172 -0.00000 -0.00000 283 3PY 0.00287 0.00061 0.00114 -0.00000 -0.00000 284 3PZ 0.00000 0.00000 -0.00000 0.00514 -0.00566 285 4XX -0.00049 0.00010 -0.00018 0.00000 0.00000 286 4YY 0.00042 -0.00017 -0.00011 -0.00000 0.00000 287 4ZZ -0.00015 -0.00000 -0.00004 -0.00000 0.00000 288 4XY 0.00024 0.00002 0.00003 -0.00000 -0.00000 289 4XZ -0.00000 0.00000 -0.00000 0.00023 -0.00006 290 4YZ 0.00000 0.00000 0.00000 0.00020 -0.00033 291 29 C 1S -0.00517 0.00174 0.00482 -0.00000 0.00000 292 2S 0.00869 -0.00398 -0.00915 0.00000 -0.00000 293 2PX -0.01068 0.00280 -0.00424 0.00000 0.00000 294 2PY -0.00007 -0.00542 -0.01099 0.00000 0.00000 295 2PZ 0.00000 0.00000 0.00000 0.00742 -0.00941 296 3S 0.00822 -0.00305 -0.01115 0.00000 -0.00000 297 3PX -0.00231 0.00110 -0.00234 0.00000 0.00000 298 3PY 0.00089 -0.00068 -0.00477 0.00000 0.00000 299 3PZ 0.00000 0.00000 0.00000 0.00563 -0.00635 300 4XX -0.00071 0.00010 -0.00018 0.00000 0.00000 301 4YY 0.00043 -0.00033 0.00022 0.00000 -0.00000 302 4ZZ -0.00032 0.00026 0.00036 0.00000 -0.00000 303 4XY 0.00046 0.00034 0.00041 -0.00000 -0.00000 304 4XZ -0.00000 -0.00000 -0.00000 -0.00001 0.00021 305 4YZ -0.00000 -0.00000 -0.00000 -0.00031 0.00021 306 30 H 1S -0.00432 0.00063 -0.00503 0.00000 0.00000 307 2S -0.00699 0.00104 -0.00086 0.00000 0.00000 308 31 H 1S -0.00181 -0.00046 -0.00057 0.00000 0.00000 309 2S -0.00138 -0.00058 -0.00145 0.00000 0.00000 310 32 H 1S 0.00150 -0.00027 0.00180 -0.00000 -0.00000 311 2S 0.00235 -0.00028 0.00318 -0.00000 -0.00000 312 33 H 1S -0.00092 -0.00046 -0.00116 0.00000 0.00000 313 2S -0.00178 -0.00058 -0.00119 0.00000 0.00000 314 34 H 1S 0.00069 0.00064 -0.00836 0.00000 -0.00000 315 2S 0.00378 0.00104 -0.00804 0.00000 -0.00000 231 232 233 234 235 231 25 C 1S 2.05345 232 2S -0.06555 0.33572 233 2PX 0.00450 -0.00990 0.41820 234 2PY -0.00214 -0.00160 -0.01176 0.45152 235 2PZ 0.00000 0.00000 0.00000 -0.00000 0.31455 236 3S -0.17800 0.27937 0.05843 0.03634 -0.00000 237 3PX -0.00182 -0.00344 0.12591 -0.00374 0.00000 238 3PY -0.00661 0.02450 -0.01259 0.15811 -0.00000 239 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.21196 240 4XX -0.01877 0.00021 0.00980 0.00741 -0.00000 241 4YY -0.01888 -0.00018 -0.01335 0.00000 0.00000 242 4ZZ -0.01124 -0.01627 0.00037 -0.00088 0.00000 243 4XY 0.00198 -0.00326 0.00925 -0.02045 0.00000 244 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00119 245 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00646 246 26 C 1S 0.01717 -0.03513 0.03273 0.07410 -0.00000 247 2S -0.03496 0.06184 -0.06515 -0.15136 0.00000 248 2PX -0.04559 0.09177 -0.05840 -0.15593 0.00000 249 2PY -0.06700 0.14316 -0.12392 -0.24646 0.00000 250 2PZ 0.00000 -0.00000 0.00000 0.00000 0.23430 251 3S 0.00747 0.01774 -0.03610 -0.13361 0.00000 252 3PX -0.00216 0.02170 -0.01078 -0.04009 0.00000 253 3PY -0.01376 0.03468 -0.05819 -0.06214 -0.00000 254 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.14787 255 4XX 0.00099 -0.00305 0.01099 -0.00059 0.00000 256 4YY -0.00455 0.00740 -0.01015 0.00697 -0.00000 257 4ZZ 0.00189 -0.00436 0.00319 0.00593 -0.00000 258 4XY -0.00500 0.01008 0.00043 -0.01362 0.00000 259 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00662 260 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00940 261 27 C 1S -0.00269 0.00737 -0.00184 -0.01710 0.00000 262 2S 0.00771 -0.01778 0.00606 0.04518 -0.00000 263 2PX -0.00087 0.00615 0.00889 -0.01119 0.00000 264 2PY 0.01315 -0.03611 0.00864 0.06139 -0.00000 265 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.02250 266 3S -0.01214 0.00519 -0.02406 0.04816 -0.00000 267 3PX -0.00644 0.01025 0.01182 -0.04395 0.00000 268 3PY -0.00348 -0.00524 -0.01316 0.02449 -0.00000 269 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00378 270 4XX 0.00134 -0.00255 0.00166 0.00474 -0.00000 271 4YY -0.00206 0.00448 -0.00336 -0.01183 0.00000 272 4ZZ 0.00015 0.00004 0.00012 0.00043 -0.00000 273 4XY -0.00085 0.00199 -0.00222 -0.00367 0.00000 274 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00832 275 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00838 276 28 C 1S -0.00371 0.00732 0.00412 -0.00892 0.00000 277 2S 0.00676 -0.01578 -0.00891 0.01956 -0.00000 278 2PX -0.00527 0.00876 -0.01712 -0.02732 0.00000 279 2PY 0.00745 -0.01913 -0.02467 0.01319 0.00000 280 2PZ -0.00000 0.00000 0.00000 0.00000 -0.12114 281 3S 0.02554 -0.03914 -0.03083 0.06176 -0.00000 282 3PX -0.00734 0.00911 -0.00877 -0.02407 0.00000 283 3PY 0.01087 -0.01589 -0.01811 0.00962 0.00000 284 3PZ -0.00000 0.00000 0.00000 0.00000 -0.09540 285 4XX -0.00029 0.00080 0.00280 0.00134 -0.00000 286 4YY 0.00010 -0.00050 -0.00225 -0.00165 0.00000 287 4ZZ -0.00036 0.00044 -0.00001 -0.00010 0.00000 288 4XY -0.00020 0.00068 -0.00007 -0.00056 0.00000 289 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00273 290 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00087 291 29 C 1S -0.00369 0.00959 0.01435 -0.00449 0.00000 292 2S 0.00959 -0.02337 -0.03584 0.01453 -0.00000 293 2PX -0.01106 0.03050 0.03442 -0.00407 0.00000 294 2PY 0.01018 -0.02377 -0.03509 0.01181 0.00000 295 2PZ -0.00000 0.00000 0.00000 0.00000 -0.05536 296 3S 0.00297 -0.02310 -0.06107 0.01452 -0.00000 297 3PX 0.00573 -0.00170 -0.02084 0.01047 -0.00000 298 3PY 0.00740 -0.01741 -0.03643 0.01300 0.00000 299 3PZ -0.00000 0.00000 0.00000 0.00000 -0.05372 300 4XX -0.00192 0.00459 0.00976 -0.00206 0.00000 301 4YY 0.00083 -0.00190 -0.00327 0.00052 -0.00000 302 4ZZ 0.00013 -0.00004 -0.00023 0.00086 -0.00000 303 4XY 0.00170 -0.00348 -0.00884 0.00136 -0.00000 304 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00233 305 4YZ -0.00000 0.00000 0.00000 -0.00000 0.01025 306 30 H 1S -0.00811 0.02016 0.03398 -0.00274 0.00000 307 2S -0.01643 0.03541 0.08686 -0.01645 0.00000 308 31 H 1S -0.00117 0.00253 0.00007 -0.00510 0.00000 309 2S 0.00133 -0.00120 -0.00554 -0.00388 0.00000 310 32 H 1S -0.00767 0.01793 -0.01357 -0.03485 0.00000 311 2S -0.01140 0.02354 -0.01959 -0.06376 0.00000 312 33 H 1S 0.01500 -0.03230 0.03471 0.02314 -0.00000 313 2S 0.01779 -0.03390 0.06497 0.04104 -0.00000 314 34 H 1S -0.06214 0.11951 -0.16780 0.23089 -0.00000 315 2S -0.00435 0.01667 -0.15265 0.16879 -0.00000 236 237 238 239 240 236 3S 0.29448 237 3PX 0.01488 0.06189 238 3PY 0.02535 0.00501 0.07007 239 3PZ -0.00000 -0.00000 -0.00000 0.14447 240 4XX 0.00143 0.00146 0.00125 -0.00000 0.00104 241 4YY -0.00002 -0.00268 0.00063 0.00000 -0.00043 242 4ZZ -0.01235 -0.00021 -0.00133 0.00000 0.00006 243 4XY -0.00476 0.00237 -0.00634 0.00000 -0.00009 244 4XZ 0.00000 -0.00000 0.00000 0.00045 0.00000 245 4YZ 0.00000 0.00000 0.00000 -0.00422 0.00000 246 26 C 1S 0.01183 0.00581 0.01213 -0.00000 0.00042 247 2S 0.01567 -0.00586 -0.04598 0.00000 -0.00232 248 2PX 0.10758 0.01044 -0.03827 0.00000 -0.01349 249 2PY 0.05264 -0.06094 -0.07437 -0.00000 -0.00226 250 2PZ -0.00000 0.00000 -0.00000 0.15708 0.00000 251 3S -0.03733 0.01270 -0.02612 0.00000 -0.00250 252 3PX 0.02238 0.00748 -0.00382 0.00000 -0.00456 253 3PY -0.00224 -0.01558 -0.01268 -0.00000 -0.00135 254 3PZ 0.00000 0.00000 -0.00000 0.09987 0.00000 255 4XX -0.00565 0.00286 -0.00047 0.00000 0.00077 256 4YY 0.00788 -0.00290 0.00311 -0.00000 -0.00039 257 4ZZ -0.00168 0.00017 0.00168 -0.00000 0.00007 258 4XY 0.00808 -0.00113 -0.00431 0.00000 -0.00007 259 4XZ -0.00000 0.00000 0.00000 0.00420 0.00000 260 4YZ -0.00000 0.00000 -0.00000 0.00662 0.00000 261 27 C 1S -0.00783 -0.00710 -0.00297 0.00000 0.00108 262 2S -0.00475 0.01322 0.01750 -0.00000 -0.00191 263 2PX -0.05838 0.01176 0.00964 -0.00000 0.00244 264 2PY -0.02286 0.04926 0.03090 -0.00000 -0.00399 265 2PZ 0.00000 -0.00000 -0.00000 0.00645 0.00000 266 3S 0.02389 -0.00293 0.01734 -0.00000 -0.00257 267 3PX -0.00842 0.00322 -0.01139 0.00000 0.00013 268 3PY 0.00090 0.00894 0.00836 -0.00000 -0.00102 269 3PZ -0.00000 -0.00000 -0.00000 -0.00232 0.00000 270 4XX -0.00429 0.00002 0.00144 -0.00000 0.00045 271 4YY 0.00542 -0.00132 -0.00426 -0.00000 -0.00045 272 4ZZ -0.00017 -0.00039 0.00015 -0.00000 0.00010 273 4XY 0.00159 -0.00219 -0.00162 0.00000 -0.00010 274 4XZ -0.00000 0.00000 0.00000 -0.00625 0.00000 275 4YZ -0.00000 0.00000 0.00000 0.00553 0.00000 276 28 C 1S 0.01997 0.00019 -0.00955 0.00000 -0.00036 277 2S -0.02598 0.00351 0.01055 -0.00000 0.00092 278 2PX 0.05932 -0.01474 -0.01527 0.00000 -0.00236 279 2PY -0.02950 -0.00341 0.00135 0.00000 -0.00089 280 2PZ 0.00000 0.00000 0.00000 -0.09778 0.00000 281 3S -0.06030 -0.00559 0.03016 -0.00000 0.00093 282 3PX 0.02441 -0.00733 -0.00810 0.00000 -0.00188 283 3PY -0.02136 -0.00333 0.00604 0.00000 -0.00143 284 3PZ 0.00000 0.00000 0.00000 -0.07408 0.00000 285 4XX 0.00094 0.00171 0.00176 -0.00000 -0.00017 286 4YY 0.00083 -0.00132 -0.00190 0.00000 0.00007 287 4ZZ 0.00059 -0.00049 -0.00021 0.00000 0.00001 288 4XY -0.00015 -0.00142 -0.00013 0.00000 0.00009 289 4XZ 0.00000 0.00000 0.00000 -0.00179 -0.00000 290 4YZ -0.00000 0.00000 0.00000 -0.00115 -0.00000 291 29 C 1S 0.00297 0.00354 0.00866 -0.00000 -0.00113 292 2S -0.02310 -0.01423 -0.01018 0.00000 0.00233 293 2PX 0.04311 0.01578 0.03161 -0.00000 -0.00430 294 2PY -0.04563 -0.01528 -0.02362 0.00000 0.00516 295 2PZ 0.00000 0.00000 0.00000 -0.05372 -0.00000 296 3S -0.02686 -0.03012 -0.02064 0.00000 0.00333 297 3PX -0.00281 -0.00265 0.01863 -0.00000 -0.00196 298 3PY -0.03640 -0.01803 -0.00230 0.00000 0.00062 299 3PZ 0.00000 0.00000 0.00000 -0.04731 -0.00000 300 4XX 0.00514 0.00379 0.00102 -0.00000 -0.00005 301 4YY -0.00243 -0.00149 -0.00099 -0.00000 0.00021 302 4ZZ 0.00032 0.00009 0.00095 -0.00000 -0.00014 303 4XY -0.00516 -0.00225 0.00119 -0.00000 -0.00033 304 4XZ 0.00000 0.00000 -0.00000 -0.00116 0.00000 305 4YZ 0.00000 0.00000 -0.00000 0.00717 -0.00000 306 30 H 1S 0.02613 0.01089 0.01544 -0.00000 -0.00170 307 2S 0.04487 0.02888 0.01168 -0.00000 -0.00126 308 31 H 1S 0.02139 -0.00014 -0.00253 0.00000 -0.00009 309 2S 0.01692 0.00007 -0.00450 0.00000 -0.00057 310 32 H 1S 0.03261 -0.02655 -0.02015 0.00000 -0.00027 311 2S 0.02937 -0.02521 -0.02913 0.00000 -0.00061 312 33 H 1S -0.06327 -0.00016 0.00195 -0.00000 0.00786 313 2S -0.05138 0.01030 0.00977 -0.00000 0.00705 314 34 H 1S 0.09384 -0.04003 0.09309 -0.00000 -0.00017 315 2S 0.00090 -0.03194 0.05976 -0.00000 -0.00067 241 242 243 244 245 241 4YY 0.00099 242 4ZZ 0.00010 0.00094 243 4XY -0.00035 0.00022 0.00176 244 4XZ 0.00000 -0.00000 -0.00000 0.00060 245 4YZ -0.00000 -0.00000 0.00000 0.00028 0.00038 246 26 C 1S -0.00410 0.00186 -0.00499 0.00000 0.00000 247 2S 0.00695 -0.00429 0.00971 -0.00000 -0.00000 248 2PX 0.01027 -0.00393 -0.00243 0.00000 -0.00000 249 2PY -0.00358 -0.00475 0.00937 -0.00000 0.00000 250 2PZ 0.00000 0.00000 -0.00000 -0.00743 -0.01078 251 3S 0.00453 -0.00184 0.01097 -0.00000 -0.00000 252 3PX 0.00254 -0.00075 -0.00083 0.00000 -0.00000 253 3PY -0.00025 -0.00124 0.00246 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 -0.00537 -0.00698 255 4XX -0.00069 0.00011 0.00074 -0.00000 0.00000 256 4YY 0.00052 -0.00033 -0.00092 0.00000 -0.00000 257 4ZZ -0.00030 0.00029 -0.00037 -0.00000 -0.00000 258 4XY -0.00029 -0.00037 0.00053 -0.00000 0.00000 259 4XZ 0.00000 0.00000 -0.00000 -0.00009 -0.00030 260 4YZ -0.00000 0.00000 0.00000 0.00025 0.00005 261 27 C 1S -0.00176 0.00010 0.00103 -0.00000 0.00000 262 2S 0.00385 0.00014 -0.00250 0.00000 -0.00000 263 2PX -0.00446 0.00034 0.00219 -0.00000 0.00000 264 2PY 0.01031 -0.00050 -0.00341 0.00000 -0.00000 265 2PZ -0.00000 0.00000 0.00000 -0.00728 -0.00828 266 3S 0.00374 -0.00037 -0.00345 0.00000 -0.00000 267 3PX -0.00155 0.00000 0.00303 -0.00000 0.00000 268 3PY 0.00333 -0.00045 -0.00192 0.00000 -0.00000 269 3PZ 0.00000 0.00000 0.00000 -0.00504 -0.00509 270 4XX -0.00039 0.00011 0.00005 -0.00000 0.00000 271 4YY 0.00034 -0.00020 0.00032 -0.00000 0.00000 272 4ZZ -0.00019 0.00004 0.00001 0.00000 0.00000 273 4XY -0.00025 -0.00002 -0.00005 -0.00000 0.00000 274 4XZ 0.00000 -0.00000 -0.00000 0.00018 0.00011 275 4YZ 0.00000 0.00000 -0.00000 -0.00024 -0.00040 276 28 C 1S 0.00005 -0.00026 0.00018 -0.00000 0.00000 277 2S -0.00040 0.00026 -0.00018 0.00000 0.00000 278 2PX 0.00238 -0.00052 0.00049 -0.00000 -0.00000 279 2PY 0.00164 -0.00031 -0.00078 0.00000 -0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00108 -0.00155 281 3S 0.00063 0.00123 -0.00136 0.00000 -0.00000 282 3PX 0.00158 -0.00029 0.00099 -0.00000 -0.00000 283 3PY 0.00172 0.00035 -0.00040 0.00000 -0.00000 284 3PZ -0.00000 0.00000 0.00000 0.00046 -0.00063 285 4XX 0.00007 0.00001 0.00015 -0.00000 -0.00000 286 4YY 0.00008 -0.00004 -0.00028 -0.00000 -0.00000 287 4ZZ -0.00004 0.00001 0.00002 -0.00000 -0.00000 288 4XY -0.00033 0.00002 0.00021 -0.00000 0.00000 289 4XZ -0.00000 -0.00000 -0.00000 0.00045 0.00039 290 4YZ -0.00000 -0.00000 0.00000 0.00032 0.00006 291 29 C 1S 0.00004 0.00013 0.00223 -0.00000 -0.00000 292 2S 0.00035 -0.00004 -0.00499 0.00000 -0.00000 293 2PX -0.00028 0.00086 0.00717 -0.00000 0.00000 294 2PY -0.00030 0.00023 -0.00848 0.00000 -0.00000 295 2PZ -0.00000 -0.00000 0.00000 0.01004 0.00311 296 3S -0.00062 0.00032 -0.00636 0.00000 0.00000 297 3PX 0.00083 0.00078 0.00153 -0.00000 -0.00000 298 3PY 0.00138 0.00055 -0.00347 -0.00000 -0.00000 299 3PZ -0.00000 -0.00000 -0.00000 0.00679 0.00258 300 4XX -0.00029 -0.00012 0.00051 -0.00000 0.00000 301 4YY 0.00009 0.00000 -0.00020 -0.00000 -0.00000 302 4ZZ 0.00003 0.00006 0.00014 -0.00000 -0.00000 303 4XY 0.00030 0.00016 0.00001 0.00000 -0.00000 304 4XZ -0.00000 -0.00000 0.00000 -0.00015 0.00008 305 4YZ -0.00000 -0.00000 -0.00000 0.00036 0.00010 306 30 H 1S -0.00087 0.00015 0.00374 -0.00000 0.00000 307 2S -0.00185 -0.00059 0.00551 -0.00000 0.00000 308 31 H 1S 0.00066 0.00001 -0.00058 0.00000 -0.00000 309 2S 0.00160 -0.00002 -0.00170 0.00000 -0.00000 310 32 H 1S -0.00215 -0.00013 0.00067 -0.00000 0.00000 311 2S -0.00194 -0.00044 0.00189 -0.00000 0.00000 312 33 H 1S -0.00471 0.00082 0.00647 -0.00000 0.00000 313 2S -0.00594 0.00133 0.00416 -0.00000 0.00000 314 34 H 1S 0.00598 -0.00634 -0.01625 0.00000 -0.00000 315 2S 0.00570 -0.00182 -0.01372 0.00000 -0.00000 246 247 248 249 250 246 26 C 1S 2.05309 247 2S -0.06400 0.33160 248 2PX 0.00307 -0.00025 0.43184 249 2PY 0.00014 -0.00221 -0.00397 0.42134 250 2PZ 0.00000 0.00000 0.00000 -0.00000 0.32817 251 3S -0.16855 0.25548 -0.01995 0.00200 -0.00000 252 3PX 0.00437 -0.03052 0.14067 0.00167 0.00000 253 3PY -0.00085 0.00023 -0.00297 0.12354 -0.00000 254 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.21267 255 4XX -0.02111 0.00376 -0.02081 0.00317 -0.00000 256 4YY -0.01621 -0.00474 0.01250 -0.00252 0.00000 257 4ZZ -0.01136 -0.01600 0.00057 -0.00041 -0.00000 258 4XY 0.00004 -0.00010 0.00330 0.01796 -0.00000 259 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00867 260 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00116 261 27 C 1S 0.01666 -0.03353 -0.03702 0.07059 -0.00000 262 2S -0.03365 0.05814 0.07399 -0.15020 0.00000 263 2PX 0.03901 -0.08561 -0.06270 0.15188 -0.00000 264 2PY -0.07032 0.14268 0.13623 -0.25000 0.00000 265 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.20552 266 3S 0.00492 0.02358 0.07798 -0.09854 0.00000 267 3PX 0.00654 -0.01005 -0.00601 0.07069 -0.00000 268 3PY -0.00812 0.03670 0.03412 -0.06032 -0.00000 269 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.12568 270 4XX 0.00080 -0.00328 -0.01332 0.00388 -0.00000 271 4YY -0.00459 0.00805 0.01131 0.00237 -0.00000 272 4ZZ 0.00192 -0.00439 -0.00347 0.00499 -0.00000 273 4XY 0.00512 -0.00992 0.00245 0.01094 -0.00000 274 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00579 275 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.01188 276 28 C 1S -0.00364 0.00971 0.01246 -0.00767 0.00000 277 2S 0.00971 -0.02301 -0.03289 0.02245 -0.00000 278 2PX -0.01287 0.03589 0.03618 -0.03375 0.00000 279 2PY 0.00696 -0.01726 -0.01051 0.01062 -0.00000 280 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.01355 281 3S -0.00285 -0.01626 -0.05605 -0.01675 0.00000 282 3PX -0.00535 0.01935 0.03955 -0.00791 0.00000 283 3PY -0.00495 0.00064 0.01757 -0.01985 0.00000 284 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.02142 285 4XX -0.00080 0.00174 0.00399 -0.00466 0.00000 286 4YY -0.00016 0.00084 0.00094 -0.00079 0.00000 287 4ZZ 0.00017 -0.00001 -0.00059 0.00034 0.00000 288 4XY 0.00221 -0.00488 -0.00658 0.00837 -0.00000 289 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.01061 290 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00279 291 29 C 1S -0.00371 0.00676 0.00908 -0.00084 0.00000 292 2S 0.00732 -0.01578 -0.02094 -0.00198 0.00000 293 2PX -0.00979 0.02140 0.02812 -0.00120 0.00000 294 2PY -0.00089 0.00207 0.00145 -0.03206 0.00000 295 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.12114 296 3S 0.01997 -0.02598 -0.05521 0.03662 -0.00000 297 3PX -0.00836 0.00739 0.00542 -0.00364 0.00000 298 3PY -0.00461 0.00831 0.00822 -0.01881 0.00000 299 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.09778 300 4XX -0.00018 0.00006 0.00097 0.00151 -0.00000 301 4YY -0.00012 0.00046 -0.00032 -0.00112 0.00000 302 4ZZ -0.00026 0.00026 -0.00001 -0.00061 0.00000 303 4XY 0.00029 -0.00075 -0.00055 0.00270 -0.00000 304 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00188 305 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00016 306 30 H 1S -0.00208 0.00453 0.00680 0.00484 -0.00000 307 2S -0.00439 0.01094 0.01722 -0.00465 0.00000 308 31 H 1S -0.00840 0.02044 0.02000 -0.02876 0.00000 309 2S -0.01208 0.02644 0.04069 -0.04882 0.00000 310 32 H 1S 0.01273 -0.02685 -0.00227 0.04831 -0.00000 311 2S 0.01387 -0.02378 0.00169 0.08706 -0.00000 312 33 H 1S -0.06196 0.11878 -0.26925 0.01498 -0.00000 313 2S -0.01383 0.02689 -0.21388 0.01534 -0.00000 314 34 H 1S 0.01309 -0.03015 -0.00092 -0.04234 0.00000 315 2S 0.01383 -0.02502 -0.00011 -0.06724 0.00000 251 252 253 254 255 251 3S 0.24394 252 3PX -0.01891 0.05299 253 3PY 0.00764 0.00267 0.04519 254 3PZ -0.00000 0.00000 -0.00000 0.13913 255 4XX 0.00636 -0.00662 0.00126 -0.00000 0.00186 256 4YY -0.00558 0.00423 -0.00046 -0.00000 -0.00104 257 4ZZ -0.01126 0.00159 -0.00043 -0.00000 -0.00010 258 4XY -0.00054 0.00084 0.00410 -0.00000 -0.00013 259 4XZ 0.00000 -0.00000 -0.00000 0.00538 0.00000 260 4YZ 0.00000 -0.00000 0.00000 0.00079 0.00000 261 27 C 1S 0.00549 -0.00412 0.00984 -0.00000 0.00092 262 2S 0.02426 0.02642 -0.02880 0.00000 -0.00298 263 2PX -0.03030 0.00291 0.06662 -0.00000 0.01350 264 2PY 0.12943 0.03155 -0.06591 -0.00000 -0.00163 265 2PZ -0.00000 -0.00000 -0.00000 0.12865 0.00000 266 3S -0.01416 0.02529 -0.01686 0.00000 -0.00513 267 3PX 0.00387 0.00305 0.02320 -0.00000 0.00432 268 3PY 0.02576 0.00378 -0.01569 -0.00000 -0.00066 269 3PZ -0.00000 -0.00000 -0.00000 0.07933 0.00000 270 4XX -0.00159 -0.00392 0.00181 -0.00000 0.00092 271 4YY 0.00400 0.00234 -0.00019 -0.00000 -0.00083 272 4ZZ -0.00220 -0.00099 0.00085 -0.00000 0.00011 273 4XY -0.01082 0.00151 0.00399 -0.00000 -0.00033 274 4XZ 0.00000 -0.00000 -0.00000 -0.00427 0.00000 275 4YZ -0.00000 -0.00000 -0.00000 0.00761 0.00000 276 28 C 1S -0.00285 -0.00161 -0.00711 0.00000 -0.00198 277 2S -0.01626 -0.00912 0.01707 -0.00000 0.00473 278 2PX 0.01352 -0.00918 -0.03605 0.00000 -0.01027 279 2PY -0.05692 -0.01057 0.02888 -0.00000 0.00173 280 2PZ 0.00000 0.00000 -0.00000 -0.02142 -0.00000 281 3S 0.00784 -0.01131 0.00541 -0.00000 0.00430 282 3PX 0.01035 0.00662 -0.01153 0.00000 -0.00404 283 3PY -0.00709 0.00610 0.00348 0.00000 -0.00088 284 3PZ 0.00000 -0.00000 0.00000 -0.02147 0.00000 285 4XX 0.00277 0.00219 -0.00077 0.00000 0.00004 286 4YY -0.00082 -0.00085 -0.00157 0.00000 -0.00043 287 4ZZ 0.00010 -0.00012 -0.00028 0.00000 -0.00012 288 4XY -0.00563 -0.00181 0.00343 0.00000 0.00026 289 4XZ 0.00000 0.00000 0.00000 -0.00698 -0.00000 290 4YZ 0.00000 0.00000 0.00000 -0.00239 0.00000 291 29 C 1S 0.02554 0.01309 -0.00092 0.00000 0.00015 292 2S -0.03914 -0.01831 -0.00005 -0.00000 -0.00069 293 2PX 0.06890 0.02328 -0.00556 0.00000 0.00005 294 2PY 0.00418 0.00039 -0.02244 0.00000 -0.00105 295 2PZ -0.00000 0.00000 0.00000 -0.09540 0.00000 296 3S -0.06029 -0.03070 0.01046 -0.00000 0.00097 297 3PX 0.02891 0.00765 0.00055 -0.00000 -0.00102 298 3PY 0.01024 0.00531 -0.00894 0.00000 -0.00001 299 3PZ -0.00000 -0.00000 0.00000 -0.07407 -0.00000 300 4XX 0.00172 0.00108 0.00060 -0.00000 0.00048 301 4YY -0.00017 -0.00068 -0.00071 0.00000 -0.00021 302 4ZZ 0.00123 0.00045 -0.00008 -0.00000 -0.00004 303 4XY -0.00084 0.00008 0.00261 -0.00000 0.00002 304 4XZ 0.00000 -0.00000 -0.00000 -0.00077 0.00000 305 4YZ -0.00000 0.00000 0.00000 0.00008 0.00000 306 30 H 1S 0.02612 0.00860 -0.00169 0.00000 0.00120 307 2S 0.03122 0.01315 -0.00564 0.00000 0.00282 308 31 H 1S 0.03285 0.00240 -0.02681 0.00000 -0.00323 309 2S 0.03145 0.00845 -0.03062 0.00000 -0.00459 310 32 H 1S -0.05397 -0.00115 0.01061 -0.00000 -0.00522 311 2S -0.04446 -0.00220 0.02055 -0.00000 -0.00390 312 33 H 1S 0.11028 -0.09701 0.00658 -0.00000 0.01633 313 2S 0.03753 -0.06904 0.00721 -0.00000 0.01341 314 34 H 1S -0.04522 -0.00047 0.00084 -0.00000 -0.00671 315 2S -0.03340 -0.00098 -0.00598 0.00000 -0.00534 256 257 258 259 260 256 4YY 0.00139 257 4ZZ 0.00031 0.00091 258 4XY -0.00000 0.00003 0.00117 259 4XZ -0.00000 -0.00000 -0.00000 0.00028 260 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00057 261 27 C 1S -0.00483 0.00186 0.00475 -0.00000 0.00000 262 2S 0.00815 -0.00428 -0.00979 0.00000 -0.00000 263 2PX -0.00879 0.00218 -0.00262 0.00000 0.00000 264 2PY -0.00303 -0.00591 -0.01275 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00683 -0.00852 266 3S 0.00880 -0.00243 -0.00658 0.00000 -0.00000 267 3PX -0.00378 0.00017 0.00085 -0.00000 0.00000 268 3PY -0.00120 -0.00150 -0.00315 0.00000 0.00000 269 3PZ 0.00000 0.00000 0.00000 0.00403 -0.00568 270 4XX -0.00055 0.00009 -0.00018 0.00000 0.00000 271 4YY 0.00056 -0.00030 0.00057 -0.00000 -0.00000 272 4ZZ -0.00032 0.00029 0.00034 -0.00000 0.00000 273 4XY 0.00051 0.00037 0.00051 -0.00000 -0.00000 274 4XZ -0.00000 0.00000 -0.00000 -0.00002 -0.00043 275 4YZ -0.00000 0.00000 -0.00000 0.00033 0.00001 276 28 C 1S 0.00102 0.00017 0.00142 -0.00000 -0.00000 277 2S -0.00215 -0.00001 -0.00289 0.00000 0.00000 278 2PX 0.00309 0.00059 0.00771 -0.00000 -0.00000 279 2PY -0.00019 -0.00034 -0.00111 -0.00000 0.00000 280 2PZ 0.00000 0.00000 -0.00000 0.00289 -0.01058 281 3S -0.00235 0.00010 -0.00461 0.00000 0.00000 282 3PX 0.00135 -0.00018 0.00235 -0.00000 -0.00000 283 3PY 0.00086 -0.00025 -0.00144 0.00000 0.00000 284 3PZ 0.00000 0.00000 0.00000 0.00142 -0.00725 285 4XX 0.00015 -0.00013 -0.00041 0.00000 -0.00000 286 4YY 0.00014 0.00003 0.00032 -0.00000 -0.00000 287 4ZZ 0.00003 0.00005 0.00016 -0.00000 0.00000 288 4XY 0.00004 0.00015 0.00032 -0.00000 -0.00000 289 4XZ -0.00000 -0.00000 -0.00000 -0.00027 0.00025 290 4YZ -0.00000 0.00000 -0.00000 0.00006 -0.00009 291 29 C 1S -0.00034 -0.00036 0.00010 -0.00000 0.00000 292 2S 0.00099 0.00044 -0.00031 0.00000 -0.00000 293 2PX -0.00059 -0.00008 -0.00026 0.00000 0.00000 294 2PY 0.00137 -0.00006 -0.00310 0.00000 0.00000 295 2PZ 0.00000 0.00000 0.00000 0.00061 -0.00280 296 3S 0.00080 0.00059 -0.00013 0.00000 -0.00000 297 3PX 0.00070 0.00006 -0.00053 0.00000 -0.00000 298 3PY 0.00028 -0.00053 -0.00288 0.00000 0.00000 299 3PZ 0.00000 0.00000 0.00000 -0.00010 -0.00213 300 4XX -0.00028 -0.00004 0.00000 0.00000 0.00000 301 4YY 0.00007 0.00001 0.00000 0.00000 -0.00000 302 4ZZ 0.00002 0.00001 -0.00001 0.00000 -0.00000 303 4XY 0.00003 -0.00002 -0.00022 0.00000 -0.00000 304 4XZ -0.00000 -0.00000 0.00000 -0.00015 0.00004 305 4YZ -0.00000 -0.00000 0.00000 -0.00003 0.00066 306 30 H 1S -0.00084 0.00004 -0.00001 0.00000 0.00000 307 2S -0.00235 -0.00039 0.00015 0.00000 0.00000 308 31 H 1S 0.00055 0.00003 0.00115 -0.00000 -0.00000 309 2S 0.00155 -0.00023 0.00051 -0.00000 -0.00000 310 32 H 1S 0.00774 0.00080 0.00486 -0.00000 -0.00000 311 2S 0.00435 0.00104 0.00670 -0.00000 -0.00000 312 33 H 1S -0.01066 -0.00592 -0.00180 0.00000 0.00000 313 2S -0.00867 -0.00178 -0.00153 0.00000 0.00000 314 34 H 1S 0.01085 0.00020 -0.00382 0.00000 -0.00000 315 2S 0.00725 0.00042 -0.00589 0.00000 -0.00000 261 262 263 264 265 261 27 C 1S 2.05361 262 2S -0.06703 0.34132 263 2PX 0.00133 0.00154 0.43874 264 2PY 0.00231 0.00266 0.00295 0.44215 265 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.29300 266 3S -0.16892 0.26072 -0.01609 -0.02787 0.00000 267 3PX 0.00329 -0.01746 0.13320 0.00105 0.00000 268 3PY 0.00570 -0.03024 0.00105 0.13441 -0.00000 269 3PZ -0.00000 0.00000 0.00000 -0.00000 0.18401 270 4XX -0.01738 -0.00282 0.01432 -0.00354 0.00000 271 4YY -0.01984 0.00159 -0.01857 -0.00382 -0.00000 272 4ZZ -0.01144 -0.01597 0.00034 0.00058 -0.00000 273 4XY -0.00247 0.00440 -0.00016 -0.01917 0.00000 274 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00473 275 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00819 276 28 C 1S 0.01666 -0.03365 -0.08041 -0.00137 -0.00000 277 2S -0.03353 0.05815 0.16637 -0.00280 0.00000 278 2PX 0.07964 -0.16707 -0.32793 -0.00125 -0.00000 279 2PY 0.00324 -0.01102 -0.01690 0.01523 -0.00000 280 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.20552 281 3S 0.00549 0.02426 0.12724 0.03847 -0.00000 282 3PX 0.01058 -0.03815 -0.09121 0.01228 -0.00000 283 3PY 0.00135 0.00848 -0.02279 0.02821 -0.00000 284 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.12865 285 4XX -0.00695 0.01271 0.00659 0.00236 -0.00000 286 4YY 0.00304 -0.00754 -0.01298 -0.00061 -0.00000 287 4ZZ 0.00186 -0.00428 -0.00620 -0.00107 -0.00000 288 4XY -0.00050 0.00067 0.00010 -0.01433 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 -0.01080 290 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00165 291 29 C 1S -0.00269 0.00771 0.01183 0.00582 -0.00000 292 2S 0.00737 -0.01778 -0.03434 -0.01273 0.00000 293 2PX -0.01389 0.03610 0.04937 0.01218 -0.00000 294 2PY -0.01014 0.02784 0.03201 0.02091 -0.00000 295 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.02250 296 3S -0.00783 -0.00476 0.00939 -0.06199 0.00000 297 3PX 0.00098 0.00854 0.00061 0.00320 -0.00000 298 3PY -0.00763 0.02019 0.04282 0.04205 -0.00000 299 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00645 300 4XX -0.00182 0.00428 0.01024 0.00085 -0.00000 301 4YY 0.00114 -0.00235 -0.00375 0.00055 0.00000 302 4ZZ 0.00010 0.00014 -0.00060 0.00005 0.00000 303 4XY -0.00090 0.00163 0.00589 0.00068 0.00000 304 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00353 305 4YZ -0.00000 0.00000 0.00000 0.00000 -0.01044 306 30 H 1S -0.00831 0.02003 0.03687 0.00094 0.00000 307 2S -0.00950 0.02423 0.05492 0.02310 -0.00000 308 31 H 1S 0.01221 -0.02701 -0.04557 0.02126 -0.00000 309 2S 0.01361 -0.02485 -0.08013 0.04284 -0.00000 310 32 H 1S -0.06236 0.11909 -0.13604 -0.23563 0.00000 311 2S -0.01158 0.02086 -0.10596 -0.18352 0.00000 312 33 H 1S 0.01221 -0.02701 0.04120 -0.02884 0.00000 313 2S 0.01361 -0.02485 0.07717 -0.04797 0.00000 314 34 H 1S -0.00831 0.02003 -0.01762 0.03240 -0.00000 315 2S -0.00950 0.02423 -0.00745 0.05912 -0.00000 266 267 268 269 270 266 3S 0.22415 267 3PX -0.01634 0.04841 268 3PY -0.02830 0.00035 0.04882 269 3PZ 0.00000 0.00000 -0.00000 0.11649 270 4XX -0.00264 0.00363 -0.00030 0.00000 0.00114 271 4YY 0.00364 -0.00461 -0.00140 -0.00000 -0.00071 272 4ZZ -0.01125 0.00083 0.00144 -0.00000 0.00023 273 4XY 0.00628 -0.00063 -0.00548 0.00000 -0.00005 274 4XZ -0.00000 0.00000 0.00000 0.00287 0.00000 275 4YZ 0.00000 0.00000 -0.00000 0.00497 0.00000 276 28 C 1S 0.00492 -0.01030 0.00160 -0.00000 -0.00708 277 2S 0.02358 0.03681 0.00964 -0.00000 0.01266 278 2PX -0.12433 -0.09212 0.02097 -0.00000 -0.00638 279 2PY 0.01826 -0.01560 0.02579 -0.00000 0.00014 280 2PZ -0.00000 0.00000 -0.00000 0.12568 -0.00000 281 3S -0.01416 0.02037 0.01623 -0.00000 0.01072 282 3PX -0.02724 -0.02269 0.00834 -0.00000 -0.00214 283 3PY 0.01347 -0.01108 0.01005 -0.00000 -0.00165 284 3PZ -0.00000 0.00000 -0.00000 0.07933 0.00000 285 4XX 0.01026 0.00232 -0.00142 0.00000 -0.00011 286 4YY -0.00658 -0.00420 0.00096 -0.00000 -0.00013 287 4ZZ -0.00243 -0.00139 -0.00060 -0.00000 -0.00048 288 4XY 0.00368 0.00022 -0.00406 0.00000 0.00002 289 4XZ -0.00000 -0.00000 0.00000 -0.00694 -0.00000 290 4YZ 0.00000 0.00000 -0.00000 0.00065 0.00000 291 29 C 1S -0.01214 0.00021 -0.00732 0.00000 -0.00057 292 2S 0.00519 -0.00966 0.00626 -0.00000 0.00123 293 2PX 0.05374 0.04605 -0.02419 0.00000 -0.00406 294 2PY 0.00325 0.00660 -0.00975 0.00000 -0.00285 295 2PZ -0.00000 -0.00000 0.00000 0.00378 0.00000 296 3S 0.02389 0.00498 -0.00684 0.00000 0.00180 297 3PX 0.01648 0.00814 -0.00855 0.00000 -0.00174 298 3PY 0.00614 0.01178 0.00344 -0.00000 -0.00024 299 3PZ -0.00000 -0.00000 -0.00000 -0.00232 0.00000 300 4XX 0.00475 0.00489 -0.00111 0.00000 0.00000 301 4YY -0.00358 -0.00218 0.00104 0.00000 0.00019 302 4ZZ -0.00037 -0.00039 -0.00022 0.00000 -0.00011 303 4XY 0.00143 0.00072 0.00119 0.00000 0.00039 304 4XZ -0.00000 -0.00000 -0.00000 -0.00189 -0.00000 305 4YZ 0.00000 0.00000 0.00000 -0.00691 -0.00000 306 30 H 1S 0.03692 0.03168 -0.01521 0.00000 -0.00145 307 2S 0.02739 0.03489 -0.00854 0.00000 -0.00093 308 31 H 1S -0.04531 -0.01284 0.00669 -0.00000 0.00202 309 2S -0.03666 -0.02287 0.01081 -0.00000 -0.00164 310 32 H 1S 0.11708 -0.04681 -0.08107 0.00000 -0.00376 311 2S 0.03630 -0.03138 -0.05435 0.00000 -0.00276 312 33 H 1S -0.04531 0.01221 -0.00777 0.00000 0.00796 313 2S -0.03666 0.02080 -0.01439 0.00000 0.00758 314 34 H 1S 0.03692 -0.02901 0.01983 -0.00000 0.00000 315 2S 0.02739 -0.02484 0.02595 -0.00000 0.00035 271 272 273 274 275 271 4YY 0.00146 272 4ZZ -0.00003 0.00089 273 4XY 0.00037 -0.00025 0.00161 274 4XZ -0.00000 0.00000 -0.00000 0.00061 275 4YZ -0.00000 -0.00000 -0.00000 -0.00015 0.00044 276 28 C 1S 0.00329 0.00192 -0.00014 -0.00000 -0.00000 277 2S -0.00789 -0.00439 0.00071 0.00000 0.00000 278 2PX 0.01280 0.00606 -0.00269 0.00000 -0.00000 279 2PY 0.00124 -0.00051 0.01408 -0.00000 -0.00000 280 2PZ -0.00000 0.00000 -0.00000 0.01318 0.00092 281 3S -0.00831 -0.00220 -0.00262 0.00000 0.00000 282 3PX 0.00434 0.00123 -0.00108 0.00000 -0.00000 283 3PY 0.00109 -0.00043 0.00386 -0.00000 -0.00000 284 3PZ -0.00000 0.00000 -0.00000 0.00873 0.00011 285 4XX -0.00015 -0.00047 -0.00013 0.00000 0.00000 286 4YY 0.00050 0.00026 -0.00011 -0.00000 -0.00000 287 4ZZ 0.00027 0.00029 -0.00001 -0.00000 -0.00000 288 4XY 0.00013 -0.00005 0.00124 -0.00000 0.00000 289 4XZ 0.00000 0.00000 -0.00000 0.00005 -0.00039 290 4YZ -0.00000 -0.00000 -0.00000 0.00037 -0.00005 291 29 C 1S -0.00015 0.00015 -0.00212 0.00000 -0.00000 292 2S 0.00070 0.00004 0.00451 -0.00000 -0.00000 293 2PX -0.00123 0.00031 -0.00696 0.00000 0.00000 294 2PY -0.00217 0.00032 -0.00819 0.00000 0.00000 295 2PZ 0.00000 0.00000 0.00000 0.01142 -0.00302 296 3S -0.00067 -0.00017 0.00565 -0.00000 0.00000 297 3PX -0.00006 0.00032 -0.00229 0.00000 -0.00000 298 3PY -0.00229 -0.00026 -0.00335 -0.00000 0.00000 299 3PZ 0.00000 0.00000 -0.00000 0.00791 -0.00264 300 4XX -0.00032 -0.00012 -0.00003 0.00000 0.00000 301 4YY 0.00007 0.00003 -0.00023 0.00000 -0.00000 302 4ZZ 0.00001 0.00004 -0.00017 0.00000 -0.00000 303 4XY -0.00023 -0.00014 0.00043 -0.00000 0.00000 304 4XZ 0.00000 0.00000 -0.00000 -0.00020 -0.00010 305 4YZ -0.00000 -0.00000 0.00000 -0.00046 -0.00002 306 30 H 1S -0.00110 -0.00004 -0.00159 0.00000 0.00000 307 2S -0.00167 -0.00037 -0.00244 0.00000 0.00000 308 31 H 1S 0.00076 0.00062 -0.00918 0.00000 -0.00000 309 2S 0.00252 0.00102 -0.00814 0.00000 -0.00000 310 32 H 1S 0.00961 -0.00601 0.01337 -0.00000 -0.00000 311 2S 0.00790 -0.00181 0.01067 -0.00000 -0.00000 312 33 H 1S -0.00517 0.00062 -0.00522 0.00000 0.00000 313 2S -0.00670 0.00102 -0.00199 0.00000 0.00000 314 34 H 1S -0.00255 -0.00004 -0.00062 0.00000 0.00000 315 2S -0.00294 -0.00037 -0.00159 0.00000 0.00000 276 277 278 279 280 276 28 C 1S 2.05309 277 2S -0.06400 0.33160 278 2PX -0.00142 -0.00179 0.42741 279 2PY 0.00273 -0.00132 -0.00653 0.42578 280 2PZ -0.00000 0.00000 0.00000 -0.00000 0.32817 281 3S -0.16855 0.25548 0.01171 -0.01627 0.00000 282 3PX -0.00292 0.01546 0.12839 -0.01006 0.00000 283 3PY 0.00336 -0.02631 -0.00542 0.13583 -0.00000 284 3PZ -0.00000 0.00000 0.00000 -0.00000 0.21267 285 4XX -0.01746 -0.00255 -0.01347 -0.00582 0.00000 286 4YY -0.01986 0.00156 0.01818 -0.00106 -0.00000 287 4ZZ -0.01136 -0.01600 -0.00064 0.00029 -0.00000 288 4XY 0.00247 -0.00430 -0.00384 0.01892 -0.00000 289 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00333 290 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00809 291 29 C 1S 0.01717 -0.03496 -0.03523 -0.07298 0.00000 292 2S -0.03513 0.06184 0.07810 0.15106 -0.00000 293 2PX 0.04781 -0.09851 -0.07827 -0.16740 0.00000 294 2PY 0.06540 -0.13210 -0.13539 -0.22659 0.00000 295 2PZ -0.00000 0.00000 0.00000 0.00000 0.23430 296 3S 0.01183 0.01567 -0.00820 0.11949 -0.00000 297 3PX 0.00760 -0.03689 -0.01021 -0.05020 0.00000 298 3PY 0.01110 -0.02806 -0.07286 -0.05372 -0.00000 299 3PZ -0.00000 0.00000 0.00000 -0.00000 0.15708 300 4XX 0.00078 -0.00265 -0.01197 0.00019 -0.00000 301 4YY -0.00445 0.00728 0.00853 -0.00590 0.00000 302 4ZZ 0.00186 -0.00429 -0.00215 -0.00578 0.00000 303 4XY -0.00476 0.00949 -0.00185 0.01125 -0.00000 304 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00562 305 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.01182 306 30 H 1S 0.01309 -0.03015 -0.03621 -0.02197 0.00000 307 2S 0.01383 -0.02502 -0.05818 -0.03371 0.00000 308 31 H 1S -0.06196 0.11878 0.14759 -0.22569 0.00000 309 2S -0.01383 0.02689 0.12022 -0.17755 0.00000 310 32 H 1S 0.01273 -0.02685 0.04297 0.02219 -0.00000 311 2S 0.01387 -0.02378 0.07455 0.04499 -0.00000 312 33 H 1S -0.00840 0.02044 -0.03491 0.00294 -0.00000 313 2S -0.01208 0.02644 -0.06262 0.01083 -0.00000 314 34 H 1S -0.00208 0.00453 0.00079 0.00830 -0.00000 315 2S -0.00439 0.01094 -0.01264 0.01259 -0.00000 281 282 283 284 285 281 3S 0.24394 282 3PX 0.01607 0.04483 283 3PY -0.01256 -0.00204 0.05335 284 3PZ 0.00000 0.00000 -0.00000 0.13913 285 4XX -0.00219 -0.00314 -0.00078 0.00000 0.00122 286 4YY 0.00298 0.00502 -0.00089 -0.00000 -0.00065 287 4ZZ -0.01126 -0.00117 0.00116 -0.00000 0.00018 288 4XY -0.00624 -0.00189 0.00566 -0.00000 0.00005 289 4XZ 0.00000 0.00000 -0.00000 -0.00200 0.00000 290 4YZ 0.00000 -0.00000 -0.00000 0.00506 0.00000 291 29 C 1S 0.00747 -0.01083 -0.00875 0.00000 0.00058 292 2S 0.01774 0.01918 0.03613 -0.00000 -0.00277 293 2PX -0.09765 -0.00675 -0.03776 0.00000 0.01584 294 2PY -0.09807 -0.05586 -0.06618 -0.00000 0.00316 295 2PZ 0.00000 0.00000 -0.00000 0.14787 -0.00000 296 3S -0.03733 -0.01313 0.01826 -0.00000 -0.00156 297 3PX -0.02897 0.00076 -0.00770 0.00000 0.00502 298 3PY -0.00206 -0.01946 -0.00597 -0.00000 0.00219 299 3PZ 0.00000 0.00000 -0.00000 0.09987 -0.00000 300 4XX -0.00545 -0.00274 0.00001 -0.00000 0.00099 301 4YY 0.00748 0.00237 -0.00257 0.00000 -0.00060 302 4ZZ -0.00184 -0.00070 -0.00127 0.00000 0.00006 303 4XY 0.00900 -0.00002 0.00360 -0.00000 -0.00021 304 4XZ -0.00000 -0.00000 -0.00000 -0.00336 0.00000 305 4YZ -0.00000 -0.00000 0.00000 -0.00814 0.00000 306 30 H 1S -0.04522 0.00096 0.00001 0.00000 0.00933 307 2S -0.03340 -0.00469 -0.00383 0.00000 0.00852 308 31 H 1S 0.11028 0.05420 -0.08073 0.00000 -0.00256 309 2S 0.03753 0.04076 -0.05619 0.00000 -0.00200 310 32 H 1S -0.05397 0.00976 0.00431 -0.00000 0.00086 311 2S -0.04446 0.01890 0.00837 -0.00000 -0.00274 312 33 H 1S 0.03285 -0.02442 -0.01132 0.00000 -0.00126 313 2S 0.03145 -0.03074 -0.00799 0.00000 -0.00037 314 34 H 1S 0.02612 -0.00577 0.00660 -0.00000 -0.00032 315 2S 0.03122 -0.01145 0.00857 -0.00000 -0.00117 286 287 288 289 290 286 4YY 0.00126 287 4ZZ 0.00002 0.00091 288 4XY -0.00034 0.00022 0.00169 289 4XZ 0.00000 -0.00000 -0.00000 0.00050 290 4YZ -0.00000 -0.00000 0.00000 0.00012 0.00035 291 29 C 1S -0.00414 0.00189 -0.00527 0.00000 0.00000 292 2S 0.00713 -0.00436 0.01027 -0.00000 -0.00000 293 2PX -0.01073 0.00354 0.00256 -0.00000 0.00000 294 2PY 0.00076 0.00573 -0.01048 0.00000 -0.00000 295 2PZ -0.00000 -0.00000 0.00000 0.00483 0.01044 296 3S 0.00379 -0.00168 0.01080 -0.00000 -0.00000 297 3PX -0.00272 0.00137 0.00141 -0.00000 0.00000 298 3PY -0.00091 0.00099 -0.00317 0.00000 -0.00000 299 3PZ -0.00000 -0.00000 0.00000 0.00363 0.00695 300 4XX -0.00089 0.00007 0.00062 -0.00000 0.00000 301 4YY 0.00071 -0.00030 -0.00077 0.00000 -0.00000 302 4ZZ -0.00027 0.00029 -0.00040 -0.00000 0.00000 303 4XY -0.00015 -0.00037 0.00026 -0.00000 0.00000 304 4XZ 0.00000 0.00000 -0.00000 0.00003 -0.00023 305 4YZ -0.00000 0.00000 0.00000 0.00033 -0.00008 306 30 H 1S -0.00519 0.00020 0.00687 -0.00000 0.00000 307 2S -0.00661 0.00042 0.00335 -0.00000 0.00000 308 31 H 1S 0.00823 -0.00592 -0.01440 0.00000 -0.00000 309 2S 0.00674 -0.00178 -0.01181 0.00000 -0.00000 310 32 H 1S 0.00166 0.00080 0.00891 -0.00000 -0.00000 311 2S 0.00319 0.00104 0.00748 -0.00000 -0.00000 312 33 H 1S -0.00142 0.00003 0.00247 -0.00000 0.00000 313 2S -0.00267 -0.00023 0.00332 -0.00000 0.00000 314 34 H 1S 0.00068 0.00004 -0.00103 0.00000 -0.00000 315 2S 0.00164 -0.00039 -0.00251 0.00000 -0.00000 291 292 293 294 295 291 29 C 1S 2.05345 292 2S -0.06555 0.33572 293 2PX -0.00411 0.00357 0.45338 294 2PY 0.00283 -0.00937 0.00855 0.41634 295 2PZ -0.00000 0.00000 0.00000 -0.00000 0.31455 296 3S -0.17800 0.27937 0.00226 0.06877 -0.00000 297 3PX -0.00482 0.02293 0.15713 0.00543 0.00000 298 3PY -0.00488 0.00927 0.01428 0.12689 -0.00000 299 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.21196 300 4XX -0.02034 0.00236 0.02213 -0.00396 0.00000 301 4YY -0.01731 -0.00233 -0.01395 0.00460 -0.00000 302 4ZZ -0.01124 -0.01627 -0.00095 -0.00012 0.00000 303 4XY 0.00093 -0.00183 -0.00858 -0.01298 0.00000 304 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00619 305 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00220 306 30 H 1S -0.06214 0.11951 0.28385 -0.02987 0.00000 307 2S -0.00435 0.01667 0.22250 -0.04780 0.00000 308 31 H 1S 0.01500 -0.03230 0.00269 0.04163 -0.00000 309 2S 0.01779 -0.03390 0.00305 0.07679 -0.00000 310 32 H 1S -0.00767 0.01793 -0.02340 -0.02918 0.00000 311 2S -0.01140 0.02354 -0.04542 -0.04885 0.00000 312 33 H 1S -0.00117 0.00253 -0.00445 -0.00249 0.00000 313 2S 0.00133 -0.00120 -0.00059 -0.00674 0.00000 314 34 H 1S -0.00811 0.02016 -0.01937 0.02806 -0.00000 315 2S -0.01643 0.03541 -0.05768 0.06700 -0.00000 296 297 298 299 300 296 3S 0.29448 297 3PX 0.01451 0.06368 298 3PY 0.02556 0.00605 0.06827 299 3PZ -0.00000 -0.00000 -0.00000 0.14447 300 4XX 0.00391 0.00651 -0.00019 0.00000 0.00188 301 4YY -0.00250 -0.00427 0.00008 0.00000 -0.00097 302 4ZZ -0.01235 -0.00104 -0.00085 0.00000 -0.00008 303 4XY -0.00310 -0.00257 -0.00251 0.00000 -0.00036 304 4XZ 0.00000 0.00000 0.00000 -0.00388 0.00000 305 4YZ 0.00000 0.00000 0.00000 -0.00172 0.00000 306 30 H 1S 0.09383 0.10063 0.01187 -0.00000 0.01663 307 2S 0.00090 0.06772 0.00222 0.00000 0.01440 308 31 H 1S -0.06327 0.00177 0.00084 -0.00000 -0.00642 309 2S -0.05138 0.00331 0.01381 -0.00000 -0.00581 310 32 H 1S 0.03261 -0.00418 -0.03307 0.00000 -0.00219 311 2S 0.02937 -0.01263 -0.03640 0.00000 -0.00302 312 33 H 1S 0.02139 -0.00212 -0.00138 0.00000 0.00091 313 2S 0.01692 -0.00394 -0.00219 0.00000 0.00233 314 34 H 1S 0.02612 0.00793 0.01715 -0.00000 -0.00388 315 2S 0.04487 -0.00432 0.03085 -0.00000 -0.00584 301 302 303 304 305 301 4YY 0.00125 302 4ZZ 0.00024 0.00094 303 4XY 0.00011 0.00013 0.00103 304 4XZ -0.00000 -0.00000 -0.00000 0.00019 305 4YZ -0.00000 -0.00000 -0.00000 0.00004 0.00078 306 30 H 1S -0.01082 -0.00634 -0.00505 0.00000 0.00000 307 2S -0.00937 -0.00182 -0.00367 0.00000 0.00000 308 31 H 1S 0.00957 0.00082 -0.00305 0.00000 -0.00000 309 2S 0.00692 0.00133 -0.00442 0.00000 -0.00000 310 32 H 1S -0.00023 -0.00013 -0.00061 0.00000 0.00000 311 2S 0.00047 -0.00044 0.00028 -0.00000 -0.00000 312 33 H 1S -0.00033 0.00001 0.00009 -0.00000 0.00000 313 2S -0.00130 -0.00002 0.00024 -0.00000 0.00000 314 34 H 1S 0.00131 0.00015 0.00229 -0.00000 -0.00000 315 2S 0.00273 -0.00059 0.00246 -0.00000 -0.00000 306 307 308 309 310 306 30 H 1S 0.23200 307 2S 0.16096 0.14120 308 31 H 1S -0.02776 -0.02309 0.21552 309 2S -0.02772 -0.02433 0.15049 0.12096 310 32 H 1S -0.00922 -0.02412 -0.02074 -0.01790 0.21451 311 2S -0.01980 -0.03000 -0.01797 -0.01617 0.14513 312 33 H 1S 0.00243 0.00331 -0.01233 -0.02428 -0.02074 313 2S 0.00718 0.01200 -0.02428 -0.03489 -0.01790 314 34 H 1S -0.01525 -0.03683 0.00243 0.00718 -0.00922 315 2S -0.03683 -0.05898 0.00331 0.01200 -0.02412 311 312 313 314 315 311 2S 0.11572 312 33 H 1S -0.01797 0.21552 313 2S -0.01617 0.15049 0.12096 314 34 H 1S -0.01980 -0.02776 -0.02772 0.23200 315 2S -0.03000 -0.02309 -0.02433 0.16096 0.14120 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05206 2 2S -0.01582 0.35961 3 2PX 0.00000 0.00000 0.42207 4 2PY 0.00000 0.00000 0.00000 0.42207 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.24692 6 3S -0.03516 0.26595 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.07055 -0.00000 0.00000 8 3PY 0.00000 0.00000 -0.00000 0.07055 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09083 10 4XX -0.00137 -0.00093 0.00000 0.00000 0.00000 11 4YY -0.00137 -0.00093 0.00000 0.00000 0.00000 12 4ZZ -0.00080 -0.01164 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 15 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00022 -0.00136 0.00000 -0.00000 17 2S -0.00020 0.00645 0.02763 -0.00000 0.00000 18 2PX -0.00129 0.02754 0.07903 -0.00000 0.00000 19 2PY -0.00000 -0.00000 -0.00000 0.00055 0.00000 20 2PZ -0.00000 0.00000 0.00000 0.00000 0.00967 21 3S 0.00002 0.00523 0.04119 0.00000 0.00000 22 3PX -0.00039 0.00968 0.01688 -0.00000 0.00000 23 3PY 0.00000 -0.00000 -0.00000 0.00892 0.00000 24 3PZ -0.00000 0.00000 0.00000 0.00000 0.01601 25 4XX -0.00012 0.00266 0.00303 0.00000 0.00000 26 4YY 0.00000 -0.00032 -0.00095 0.00000 -0.00000 27 4ZZ 0.00000 -0.00018 -0.00052 0.00000 0.00000 28 4XY -0.00000 0.00000 -0.00000 0.00102 0.00000 29 4XZ -0.00000 0.00000 0.00000 0.00000 0.00062 30 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 31 3 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00002 -0.00010 -0.00001 -0.00000 33 2PX 0.00000 -0.00010 -0.00034 -0.00004 -0.00000 34 2PY 0.00000 -0.00003 -0.00011 -0.00001 -0.00000 35 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00002 36 3S 0.00003 -0.00070 -0.00332 -0.00084 -0.00000 37 3PX 0.00005 -0.00109 -0.00082 -0.00139 -0.00000 38 3PY 0.00002 -0.00034 -0.00158 -0.00016 0.00000 39 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00053 40 4XX -0.00000 0.00001 0.00004 0.00000 0.00000 41 4YY 0.00000 -0.00000 -0.00001 0.00000 -0.00000 42 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY -0.00000 0.00000 0.00001 -0.00000 -0.00000 44 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 45 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 46 4 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 47 2S -0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 50 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 51 3S -0.00000 0.00000 0.00006 0.00000 -0.00000 52 3PX -0.00000 0.00003 0.00017 -0.00000 -0.00000 53 3PY 0.00000 -0.00001 0.00001 0.00000 -0.00000 54 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00001 55 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 56 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 57 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 58 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 59 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 60 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 61 5 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 63 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 64 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 65 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 66 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 67 3PX -0.00000 0.00000 -0.00001 -0.00000 -0.00000 68 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 69 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 70 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 71 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 72 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 73 4XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 74 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 75 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 76 6 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 77 2S -0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 80 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 81 3S -0.00000 0.00000 0.00006 0.00000 0.00000 82 3PX -0.00000 0.00003 0.00017 -0.00000 -0.00000 83 3PY 0.00000 -0.00001 0.00001 0.00000 -0.00000 84 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00001 85 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 86 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 87 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 88 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 89 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 90 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 91 7 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00002 -0.00010 -0.00001 -0.00000 93 2PX 0.00000 -0.00010 -0.00034 -0.00004 -0.00000 94 2PY 0.00000 -0.00003 -0.00011 -0.00001 -0.00000 95 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00002 96 3S 0.00003 -0.00070 -0.00332 -0.00084 -0.00000 97 3PX 0.00005 -0.00109 -0.00082 -0.00139 -0.00000 98 3PY 0.00002 -0.00034 -0.00158 -0.00016 0.00000 99 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00053 100 4XX -0.00000 0.00001 0.00004 0.00000 0.00000 101 4YY 0.00000 -0.00000 -0.00001 0.00000 -0.00000 102 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY -0.00000 0.00000 0.00001 -0.00000 -0.00000 104 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 105 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 106 8 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 2S 0.00001 -0.00015 -0.00039 -0.00003 -0.00000 108 9 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 110 10 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 111 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 112 11 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 113 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 114 12 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 115 2S 0.00001 -0.00015 -0.00039 -0.00003 -0.00000 116 13 C 1S 0.00000 -0.00022 -0.00034 -0.00102 -0.00000 117 2S -0.00020 0.00645 0.00691 0.02072 0.00000 118 2PX -0.00032 0.00688 0.00109 0.01908 0.00000 119 2PY -0.00097 0.02065 0.01908 0.04033 0.00000 120 2PZ -0.00000 0.00000 0.00000 0.00000 0.00967 121 3S 0.00002 0.00523 0.01030 0.03089 0.00000 122 3PX -0.00010 0.00242 0.00144 0.00947 0.00000 123 3PY -0.00029 0.00726 0.00947 0.00542 0.00000 124 3PZ -0.00000 0.00000 0.00000 0.00000 0.01601 125 4XX 0.00000 -0.00018 -0.00024 -0.00024 -0.00000 126 4YY -0.00006 0.00131 0.00148 0.00003 -0.00000 127 4ZZ 0.00000 -0.00018 -0.00013 -0.00039 0.00000 128 4XY -0.00006 0.00120 0.00004 0.00202 0.00000 129 4XZ -0.00000 0.00000 0.00000 0.00000 0.00015 130 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00046 131 14 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 -0.00002 -0.00000 -0.00011 -0.00000 133 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 -0.00012 -0.00001 -0.00049 -0.00000 135 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00002 136 3S 0.00003 -0.00070 -0.00001 -0.00415 -0.00000 137 3PX -0.00000 0.00000 -0.00001 0.00022 0.00000 138 3PY 0.00007 -0.00144 0.00019 -0.00435 -0.00000 139 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00053 140 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 141 4YY -0.00000 0.00001 0.00000 0.00004 -0.00000 142 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 144 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 145 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 147 2S -0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 151 3S -0.00000 0.00000 0.00001 0.00005 0.00000 152 3PX -0.00000 0.00001 -0.00000 0.00001 0.00000 153 3PY -0.00000 0.00002 0.00002 0.00014 0.00000 154 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00001 155 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 156 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 158 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 159 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 160 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 161 16 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 164 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 165 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 166 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 167 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 168 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 169 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 170 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 171 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 173 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 175 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 176 17 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 177 2S -0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 181 3S -0.00000 0.00000 0.00002 0.00004 0.00000 182 3PX 0.00000 -0.00000 0.00004 0.00004 0.00000 183 3PY -0.00000 0.00002 0.00002 0.00006 0.00000 184 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00001 185 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 187 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 188 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 189 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 190 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 191 18 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00002 -0.00007 -0.00005 -0.00000 193 2PX 0.00000 -0.00009 -0.00022 -0.00015 -0.00000 194 2PY 0.00000 -0.00003 -0.00007 -0.00005 -0.00000 195 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00002 196 3S 0.00003 -0.00070 -0.00291 -0.00125 -0.00000 197 3PX 0.00005 -0.00106 -0.00346 -0.00046 -0.00000 198 3PY 0.00001 -0.00037 -0.00025 0.00021 -0.00000 199 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00053 200 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 201 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 202 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY -0.00000 0.00001 0.00002 0.00002 0.00000 204 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 207 2S 0.00001 -0.00015 -0.00031 -0.00011 -0.00000 208 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 209 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 213 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 23 H 1S 0.00000 -0.00000 0.00000 -0.00001 -0.00000 215 2S 0.00001 -0.00015 0.00007 -0.00049 -0.00000 216 24 C 1S 0.00000 -0.00022 -0.00034 -0.00102 -0.00000 217 2S -0.00020 0.00645 0.00691 0.02072 0.00000 218 2PX -0.00032 0.00688 0.00109 0.01908 0.00000 219 2PY -0.00097 0.02065 0.01908 0.04033 0.00000 220 2PZ -0.00000 0.00000 0.00000 0.00000 0.00967 221 3S 0.00002 0.00523 0.01030 0.03089 0.00000 222 3PX -0.00010 0.00242 0.00144 0.00947 0.00000 223 3PY -0.00029 0.00726 0.00947 0.00542 -0.00000 224 3PZ -0.00000 0.00000 0.00000 -0.00000 0.01601 225 4XX 0.00000 -0.00018 -0.00024 -0.00024 -0.00000 226 4YY -0.00006 0.00131 0.00148 0.00003 -0.00000 227 4ZZ 0.00000 -0.00018 -0.00013 -0.00039 0.00000 228 4XY -0.00006 0.00120 0.00004 0.00202 0.00000 229 4XZ -0.00000 0.00000 0.00000 0.00000 0.00015 230 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00046 231 25 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 -0.00002 -0.00007 -0.00005 -0.00000 233 2PX 0.00000 -0.00009 -0.00022 -0.00015 -0.00000 234 2PY 0.00000 -0.00003 -0.00007 -0.00005 -0.00000 235 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00002 236 3S 0.00003 -0.00070 -0.00291 -0.00125 -0.00000 237 3PX 0.00005 -0.00106 -0.00346 -0.00046 -0.00000 238 3PY 0.00001 -0.00037 -0.00025 0.00021 -0.00000 239 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00053 240 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 241 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 242 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 243 4XY -0.00000 0.00001 0.00002 0.00002 0.00000 244 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 247 2S -0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 251 3S -0.00000 0.00000 0.00002 0.00004 0.00000 252 3PX 0.00000 -0.00000 0.00004 0.00004 0.00000 253 3PY -0.00000 0.00002 0.00002 0.00006 0.00000 254 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00001 255 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 256 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 257 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 258 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 259 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 260 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 261 27 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 264 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 265 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 266 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 267 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 268 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 269 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 270 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 271 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 273 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 275 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 276 28 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 2S -0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 281 3S -0.00000 0.00000 0.00001 0.00005 0.00000 282 3PX -0.00000 0.00001 -0.00000 0.00001 0.00000 283 3PY -0.00000 0.00002 0.00002 0.00014 0.00000 284 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00001 285 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 286 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 287 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 288 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 289 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 290 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 291 29 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 -0.00002 -0.00000 -0.00011 -0.00000 293 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 294 2PY 0.00000 -0.00012 -0.00001 -0.00049 -0.00000 295 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00002 296 3S 0.00003 -0.00070 -0.00001 -0.00415 -0.00000 297 3PX -0.00000 0.00000 -0.00001 0.00022 0.00000 298 3PY 0.00007 -0.00144 0.00019 -0.00435 -0.00000 299 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00053 300 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 301 4YY -0.00000 0.00001 0.00000 0.00004 -0.00000 302 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 303 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 304 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 305 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.00000 -0.00000 0.00000 -0.00001 -0.00000 307 2S 0.00001 -0.00015 0.00007 -0.00049 -0.00000 308 31 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 309 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 0.00000 0.00000 0.00000 0.00000 312 33 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 313 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 315 2S 0.00001 -0.00015 -0.00031 -0.00011 -0.00000 6 7 8 9 10 6 3S 0.35954 7 3PX 0.00000 0.10555 8 3PY 0.00000 0.00000 0.10555 9 3PZ 0.00000 0.00000 0.00000 0.10346 10 4XX -0.00108 0.00000 0.00000 0.00000 0.00118 11 4YY -0.00108 0.00000 0.00000 0.00000 -0.00024 12 4ZZ -0.00839 0.00000 0.00000 0.00000 0.00005 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 16 2 C 1S 0.00035 -0.00008 -0.00000 -0.00000 -0.00012 17 2S -0.00213 0.00458 0.00000 0.00000 0.00256 18 2PX 0.03604 0.02226 0.00000 0.00000 0.00292 19 2PY -0.00000 -0.00000 0.01605 0.00000 -0.00000 20 2PZ 0.00000 0.00000 0.00000 0.01775 0.00000 21 3S -0.01731 -0.01609 -0.00000 -0.00000 0.00402 22 3PX 0.00598 -0.00483 0.00000 -0.00000 0.00211 23 3PY 0.00000 0.00000 0.00188 0.00000 -0.00000 24 3PZ 0.00000 -0.00000 0.00000 0.02670 0.00000 25 4XX 0.00374 0.00138 -0.00000 0.00000 0.00012 26 4YY -0.00129 -0.00119 -0.00000 -0.00000 -0.00003 27 4ZZ -0.00026 -0.00013 -0.00000 -0.00000 -0.00004 28 4XY 0.00000 -0.00000 0.00016 0.00000 -0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00055 0.00000 30 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 31 3 C 1S 0.00002 0.00002 -0.00000 -0.00000 -0.00000 32 2S -0.00033 0.00004 0.00018 0.00000 0.00000 33 2PX -0.00289 -0.00408 0.00416 0.00000 0.00001 34 2PY -0.00086 -0.00131 0.00010 -0.00000 0.00000 35 2PZ -0.00000 -0.00000 0.00000 0.00048 0.00000 36 3S -0.00188 -0.00856 0.00207 0.00000 -0.00006 37 3PX -0.00469 0.00274 0.00599 0.00000 -0.00005 38 3PY -0.00169 -0.00315 -0.00010 0.00000 -0.00000 39 3PZ -0.00000 -0.00000 0.00000 0.00169 0.00000 40 4XX 0.00018 0.00028 -0.00003 -0.00000 0.00000 41 4YY -0.00011 -0.00024 0.00002 -0.00000 -0.00000 42 4ZZ 0.00001 0.00001 -0.00002 -0.00000 -0.00000 43 4XY -0.00003 -0.00003 0.00000 0.00000 0.00000 44 4XZ -0.00000 -0.00000 0.00000 0.00007 0.00000 45 4YZ -0.00000 -0.00000 -0.00000 0.00002 -0.00000 46 4 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 47 2S 0.00001 0.00002 -0.00002 -0.00000 0.00000 48 2PX 0.00007 0.00021 -0.00009 -0.00000 -0.00000 49 2PY 0.00001 0.00002 0.00000 -0.00000 -0.00000 50 2PZ 0.00000 0.00000 -0.00000 -0.00001 -0.00000 51 3S 0.00003 0.00098 -0.00013 -0.00000 0.00000 52 3PX 0.00064 0.00213 -0.00040 -0.00000 0.00000 53 3PY -0.00003 0.00021 -0.00002 -0.00000 0.00000 54 3PZ -0.00000 0.00000 -0.00000 -0.00020 0.00000 55 4XX 0.00000 0.00001 -0.00000 -0.00000 -0.00000 56 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 57 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 58 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 59 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 60 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 63 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 64 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 65 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 66 3S 0.00003 -0.00008 0.00000 -0.00000 -0.00000 67 3PX 0.00008 -0.00024 -0.00000 -0.00000 -0.00000 68 3PY 0.00000 0.00000 0.00005 0.00000 -0.00000 69 3PZ 0.00000 -0.00000 0.00000 -0.00006 -0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 71 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 72 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 74 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 75 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 76 6 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 77 2S 0.00001 0.00002 -0.00002 -0.00000 0.00000 78 2PX 0.00007 0.00021 -0.00009 -0.00000 -0.00000 79 2PY 0.00001 0.00002 0.00000 -0.00000 -0.00000 80 2PZ 0.00000 0.00000 -0.00000 -0.00001 -0.00000 81 3S 0.00003 0.00098 -0.00013 -0.00000 0.00000 82 3PX 0.00064 0.00213 -0.00040 -0.00000 0.00000 83 3PY -0.00003 0.00021 -0.00002 -0.00000 0.00000 84 3PZ -0.00000 0.00000 -0.00000 -0.00020 0.00000 85 4XX 0.00000 0.00001 -0.00000 -0.00000 -0.00000 86 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 87 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 88 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 89 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 90 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 91 7 C 1S 0.00002 0.00002 -0.00000 -0.00000 -0.00000 92 2S -0.00033 0.00004 0.00018 0.00000 0.00000 93 2PX -0.00289 -0.00408 0.00416 0.00000 0.00001 94 2PY -0.00086 -0.00132 0.00010 -0.00000 0.00000 95 2PZ -0.00000 -0.00000 -0.00000 0.00048 0.00000 96 3S -0.00188 -0.00856 0.00207 0.00000 -0.00006 97 3PX -0.00469 0.00274 0.00599 0.00000 -0.00005 98 3PY -0.00169 -0.00315 -0.00010 0.00000 -0.00000 99 3PZ -0.00000 -0.00000 0.00000 0.00169 -0.00000 100 4XX 0.00018 0.00028 -0.00003 -0.00000 0.00000 101 4YY -0.00011 -0.00024 0.00002 -0.00000 -0.00000 102 4ZZ 0.00001 0.00001 -0.00002 -0.00000 -0.00000 103 4XY -0.00003 -0.00003 0.00000 0.00000 0.00000 104 4XZ -0.00000 -0.00000 0.00000 0.00007 0.00000 105 4YZ -0.00000 -0.00000 -0.00000 0.00002 -0.00000 106 8 H 1S -0.00003 0.00002 0.00029 0.00000 -0.00000 107 2S -0.00049 -0.00029 0.00019 0.00000 -0.00001 108 9 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 109 2S -0.00003 -0.00006 -0.00001 -0.00000 0.00000 110 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 111 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 112 11 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 113 2S -0.00003 -0.00006 -0.00001 -0.00000 0.00000 114 12 H 1S -0.00003 0.00002 0.00029 0.00000 -0.00000 115 2S -0.00049 -0.00029 0.00019 0.00000 -0.00001 116 13 C 1S 0.00035 -0.00002 -0.00006 -0.00000 0.00000 117 2S -0.00213 0.00114 0.00343 0.00000 -0.00021 118 2PX 0.00901 0.00333 0.01428 0.00000 -0.00025 119 2PY 0.02703 0.01428 0.00643 0.00000 -0.00028 120 2PZ 0.00000 0.00000 0.00000 0.01775 -0.00000 121 3S -0.01731 -0.00402 -0.01206 -0.00000 -0.00098 122 3PX 0.00150 0.00274 -0.00254 -0.00000 -0.00018 123 3PY 0.00449 -0.00254 -0.00061 0.00000 -0.00076 124 3PZ 0.00000 -0.00000 0.00000 0.02670 -0.00000 125 4XX -0.00038 -0.00020 -0.00032 -0.00000 0.00002 126 4YY 0.00213 0.00043 0.00034 -0.00000 -0.00011 127 4ZZ -0.00026 -0.00003 -0.00009 -0.00000 0.00000 128 4XY 0.00070 -0.00006 0.00016 -0.00000 0.00000 129 4XZ 0.00000 -0.00000 0.00000 0.00014 0.00000 130 4YZ 0.00000 0.00000 -0.00000 0.00041 -0.00000 131 14 C 1S 0.00002 0.00000 0.00002 0.00000 0.00000 132 2S -0.00033 -0.00002 0.00025 0.00000 -0.00000 133 2PX 0.00001 0.00043 0.00009 0.00000 -0.00000 134 2PY -0.00376 -0.00084 -0.00082 -0.00000 -0.00000 135 2PZ -0.00000 -0.00000 -0.00000 0.00048 -0.00000 136 3S -0.00188 -0.00060 -0.00590 -0.00000 -0.00005 137 3PX 0.00005 0.00004 0.00073 0.00000 0.00000 138 3PY -0.00643 -0.00083 0.00554 0.00000 -0.00012 139 3PZ -0.00000 -0.00000 0.00000 0.00169 -0.00000 140 4XX -0.00002 -0.00000 -0.00006 -0.00000 0.00000 141 4YY 0.00004 0.00000 0.00008 -0.00000 -0.00000 142 4ZZ 0.00001 0.00000 -0.00001 -0.00000 0.00000 143 4XY 0.00002 -0.00005 0.00002 0.00000 0.00000 144 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 145 4YZ 0.00000 0.00000 -0.00000 0.00009 -0.00000 146 15 C 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 147 2S 0.00001 0.00001 -0.00001 -0.00000 0.00000 148 2PX 0.00001 -0.00001 -0.00002 -0.00000 -0.00000 149 2PY 0.00007 0.00006 0.00011 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 151 3S 0.00003 0.00019 0.00066 0.00000 -0.00000 152 3PX 0.00009 -0.00010 -0.00003 -0.00000 -0.00000 153 3PY 0.00052 0.00042 0.00163 0.00000 -0.00000 154 3PZ 0.00000 0.00000 0.00000 -0.00020 -0.00000 155 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 156 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 157 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 158 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 160 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 162 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 163 2PX -0.00000 -0.00001 0.00001 0.00000 0.00000 164 2PY -0.00000 0.00001 -0.00001 0.00000 -0.00000 165 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 166 3S 0.00003 -0.00002 -0.00006 -0.00000 -0.00000 167 3PX 0.00002 -0.00009 0.00007 0.00000 0.00000 168 3PY 0.00006 0.00007 -0.00024 0.00000 -0.00000 169 3PZ 0.00000 0.00000 0.00000 -0.00006 -0.00000 170 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 172 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 174 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 175 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 176 17 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 177 2S 0.00001 -0.00003 0.00003 0.00000 -0.00000 178 2PX 0.00004 0.00004 0.00008 0.00000 -0.00000 179 2PY 0.00004 -0.00012 0.00014 0.00000 -0.00000 180 2PZ 0.00000 -0.00000 0.00000 -0.00001 -0.00000 181 3S 0.00003 0.00011 0.00075 0.00000 -0.00000 182 3PX 0.00018 0.00046 0.00083 0.00000 -0.00000 183 3PY 0.00043 -0.00024 0.00088 0.00000 -0.00000 184 3PZ 0.00000 -0.00000 0.00000 -0.00020 -0.00000 185 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 187 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 188 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 190 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 191 18 C 1S 0.00002 0.00000 0.00001 0.00000 -0.00000 192 2S -0.00033 0.00031 -0.00009 -0.00000 0.00001 193 2PX -0.00274 0.00180 -0.00410 -0.00000 0.00003 194 2PY -0.00101 0.00230 -0.00114 -0.00000 0.00001 195 2PZ -0.00000 0.00000 -0.00000 0.00048 0.00000 196 3S -0.00188 -0.00058 -0.00591 -0.00000 0.00023 197 3PX -0.00493 0.00274 -0.00401 -0.00000 0.00031 198 3PY -0.00145 0.00668 0.00008 0.00000 0.00013 199 3PZ -0.00000 0.00000 0.00000 0.00169 0.00000 200 4XX -0.00014 -0.00004 -0.00017 -0.00000 0.00000 201 4YY 0.00009 0.00004 0.00006 -0.00000 -0.00000 202 4ZZ 0.00001 -0.00002 0.00001 -0.00000 -0.00000 203 4XY 0.00008 0.00004 0.00006 0.00000 -0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00007 -0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00002 -0.00000 206 19 H 1S -0.00003 0.00035 -0.00004 -0.00000 -0.00000 207 2S -0.00049 0.00001 -0.00011 -0.00000 -0.00003 208 20 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 209 2S -0.00003 -0.00004 -0.00003 -0.00000 0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 211 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 212 22 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 213 2S -0.00003 -0.00000 -0.00007 -0.00000 -0.00000 214 23 H 1S -0.00003 0.00010 0.00021 0.00000 0.00000 215 2S -0.00049 0.00013 -0.00023 -0.00000 0.00003 216 24 C 1S 0.00035 -0.00002 -0.00006 -0.00000 0.00000 217 2S -0.00213 0.00114 0.00343 0.00000 -0.00021 218 2PX 0.00901 0.00333 0.01428 0.00000 -0.00025 219 2PY 0.02703 0.01428 0.00643 -0.00000 -0.00028 220 2PZ 0.00000 0.00000 -0.00000 0.01775 -0.00000 221 3S -0.01731 -0.00402 -0.01206 -0.00000 -0.00098 222 3PX 0.00150 0.00274 -0.00254 -0.00000 -0.00018 223 3PY 0.00449 -0.00254 -0.00061 0.00000 -0.00076 224 3PZ 0.00000 -0.00000 0.00000 0.02670 -0.00000 225 4XX -0.00038 -0.00020 -0.00032 -0.00000 0.00002 226 4YY 0.00213 0.00043 0.00034 -0.00000 -0.00011 227 4ZZ -0.00026 -0.00003 -0.00009 -0.00000 0.00000 228 4XY 0.00070 -0.00006 0.00016 0.00000 0.00000 229 4XZ 0.00000 -0.00000 0.00000 0.00014 0.00000 230 4YZ 0.00000 0.00000 -0.00000 0.00041 -0.00000 231 25 C 1S 0.00002 0.00000 0.00001 0.00000 -0.00000 232 2S -0.00033 0.00031 -0.00009 -0.00000 0.00001 233 2PX -0.00274 0.00180 -0.00410 -0.00000 0.00003 234 2PY -0.00101 0.00230 -0.00114 -0.00000 0.00001 235 2PZ -0.00000 0.00000 -0.00000 0.00048 0.00000 236 3S -0.00188 -0.00058 -0.00591 -0.00000 0.00023 237 3PX -0.00493 0.00274 -0.00401 -0.00000 0.00031 238 3PY -0.00145 0.00668 0.00008 0.00000 0.00013 239 3PZ -0.00000 0.00000 0.00000 0.00169 0.00000 240 4XX -0.00014 -0.00004 -0.00017 -0.00000 0.00000 241 4YY 0.00009 0.00004 0.00006 -0.00000 -0.00000 242 4ZZ 0.00001 -0.00002 0.00001 -0.00000 -0.00000 243 4XY 0.00008 0.00004 0.00006 0.00000 -0.00000 244 4XZ 0.00000 0.00000 0.00000 0.00007 -0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00002 -0.00000 246 26 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 247 2S 0.00001 -0.00003 0.00003 0.00000 -0.00000 248 2PX 0.00004 0.00004 0.00008 0.00000 -0.00000 249 2PY 0.00004 -0.00012 0.00014 0.00000 -0.00000 250 2PZ 0.00000 -0.00000 0.00000 -0.00001 -0.00000 251 3S 0.00003 0.00011 0.00075 0.00000 -0.00000 252 3PX 0.00018 0.00046 0.00083 0.00000 -0.00000 253 3PY 0.00043 -0.00024 0.00088 0.00000 -0.00000 254 3PZ 0.00000 -0.00000 0.00000 -0.00020 -0.00000 255 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 257 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 258 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 260 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 262 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 263 2PX -0.00000 -0.00001 0.00001 0.00000 0.00000 264 2PY -0.00000 0.00001 -0.00001 0.00000 -0.00000 265 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 266 3S 0.00003 -0.00002 -0.00006 -0.00000 -0.00000 267 3PX 0.00002 -0.00009 0.00007 0.00000 0.00000 268 3PY 0.00006 0.00007 -0.00024 0.00000 -0.00000 269 3PZ 0.00000 0.00000 0.00000 -0.00006 -0.00000 270 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 272 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 274 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 275 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 276 28 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 277 2S 0.00001 0.00001 -0.00001 -0.00000 0.00000 278 2PX 0.00001 -0.00001 -0.00002 -0.00000 -0.00000 279 2PY 0.00007 0.00006 0.00011 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 281 3S 0.00003 0.00019 0.00066 0.00000 -0.00000 282 3PX 0.00009 -0.00010 -0.00003 -0.00000 -0.00000 283 3PY 0.00052 0.00042 0.00163 0.00000 -0.00000 284 3PZ 0.00000 0.00000 0.00000 -0.00020 -0.00000 285 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 286 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 287 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 288 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 290 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 291 29 C 1S 0.00002 0.00000 0.00002 0.00000 0.00000 292 2S -0.00033 -0.00002 0.00025 0.00000 -0.00000 293 2PX 0.00001 0.00043 0.00009 0.00000 -0.00000 294 2PY -0.00376 -0.00084 -0.00082 -0.00000 -0.00000 295 2PZ -0.00000 -0.00000 -0.00000 0.00048 -0.00000 296 3S -0.00188 -0.00060 -0.00590 -0.00000 -0.00005 297 3PX 0.00005 0.00004 0.00073 0.00000 0.00000 298 3PY -0.00643 -0.00083 0.00554 0.00000 -0.00012 299 3PZ -0.00000 -0.00000 0.00000 0.00169 -0.00000 300 4XX -0.00002 -0.00000 -0.00006 -0.00000 0.00000 301 4YY 0.00004 0.00000 0.00008 -0.00000 -0.00000 302 4ZZ 0.00001 0.00000 -0.00001 -0.00000 0.00000 303 4XY 0.00002 -0.00005 0.00002 0.00000 0.00000 304 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 305 4YZ 0.00000 0.00000 -0.00000 0.00009 -0.00000 306 30 H 1S -0.00003 0.00010 0.00021 0.00000 0.00000 307 2S -0.00049 0.00013 -0.00023 -0.00000 0.00003 308 31 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 309 2S -0.00003 -0.00000 -0.00007 -0.00000 -0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 311 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 312 33 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 313 2S -0.00003 -0.00004 -0.00003 -0.00000 0.00000 314 34 H 1S -0.00003 0.00035 -0.00004 -0.00000 -0.00000 315 2S -0.00049 0.00001 -0.00011 -0.00000 -0.00003 11 12 13 14 15 11 4YY 0.00118 12 4ZZ 0.00005 0.00085 13 4XY -0.00000 0.00000 0.00126 14 4XZ -0.00000 0.00000 0.00000 0.00074 15 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00074 16 2 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 17 2S -0.00034 -0.00017 -0.00000 0.00000 -0.00000 18 2PX -0.00101 -0.00050 0.00000 0.00000 -0.00000 19 2PY -0.00000 0.00000 0.00109 0.00000 0.00000 20 2PZ -0.00000 0.00000 0.00000 0.00143 -0.00000 21 3S -0.00206 -0.00030 -0.00000 0.00000 -0.00000 22 3PX -0.00190 -0.00038 -0.00000 0.00000 -0.00000 23 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 24 3PZ -0.00000 -0.00000 0.00000 0.00128 -0.00000 25 4XX -0.00004 -0.00004 0.00000 0.00000 -0.00000 26 4YY 0.00002 0.00000 -0.00000 -0.00000 0.00000 27 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 28 4XY -0.00000 0.00000 -0.00017 -0.00000 -0.00000 29 4XZ -0.00000 0.00000 -0.00000 -0.00006 -0.00000 30 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 31 3 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 32 2S 0.00000 0.00000 0.00001 0.00000 0.00000 33 2PX 0.00000 0.00000 0.00002 0.00000 0.00000 34 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 35 2PZ -0.00000 0.00000 0.00000 0.00001 0.00000 36 3S 0.00006 0.00001 0.00011 0.00000 0.00000 37 3PX 0.00011 0.00001 0.00015 0.00000 0.00000 38 3PY 0.00002 0.00001 0.00002 0.00000 0.00000 39 3PZ -0.00000 -0.00000 0.00000 0.00010 0.00001 40 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 41 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 42 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 43 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 44 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 48 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 49 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 50 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 51 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 52 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 53 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 54 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 59 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 60 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 61 5 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 62 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 63 2PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 64 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 65 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 66 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 67 3PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 68 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 69 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 70 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 71 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 73 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 74 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 75 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 78 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 79 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 80 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 81 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 82 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 83 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 84 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 89 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 91 7 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 92 2S 0.00000 0.00000 0.00001 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00002 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 95 2PZ -0.00000 0.00000 0.00000 0.00001 0.00000 96 3S 0.00006 0.00001 0.00011 0.00000 0.00000 97 3PX 0.00011 0.00001 0.00015 0.00000 0.00000 98 3PY 0.00002 0.00001 0.00002 0.00000 0.00000 99 3PZ -0.00000 -0.00000 0.00000 0.00010 0.00001 100 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 101 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 102 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 103 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 106 8 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 107 2S 0.00002 0.00000 -0.00004 -0.00000 0.00000 108 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2S 0.00000 0.00000 0.00000 0.00000 0.00000 110 10 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 111 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 112 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 113 2S 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 115 2S 0.00002 0.00000 -0.00004 -0.00000 0.00000 116 13 C 1S -0.00006 0.00000 -0.00007 -0.00000 -0.00000 117 2S 0.00124 -0.00017 0.00119 0.00000 0.00000 118 2PX 0.00152 -0.00013 0.00003 0.00000 0.00000 119 2PY -0.00009 -0.00038 0.00207 0.00000 -0.00000 120 2PZ -0.00000 0.00000 0.00000 0.00036 0.00107 121 3S 0.00206 -0.00030 0.00088 0.00000 0.00000 122 3PX 0.00038 -0.00010 -0.00012 -0.00000 0.00000 123 3PY 0.00069 -0.00029 0.00024 0.00000 -0.00000 124 3PZ -0.00000 -0.00000 -0.00000 0.00032 0.00096 125 4XX -0.00010 0.00000 0.00000 0.00000 -0.00000 126 4YY 0.00011 -0.00002 -0.00004 -0.00000 0.00000 127 4ZZ -0.00002 0.00001 -0.00002 0.00000 0.00000 128 4XY -0.00004 -0.00002 0.00006 0.00000 -0.00000 129 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00001 130 4YZ 0.00000 0.00000 -0.00000 -0.00001 -0.00004 131 14 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 132 2S 0.00001 0.00000 -0.00000 -0.00000 0.00000 133 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 134 2PY 0.00005 0.00000 -0.00000 -0.00000 0.00000 135 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00001 136 3S 0.00019 0.00001 -0.00002 -0.00000 0.00000 137 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 138 3PY 0.00040 0.00002 -0.00003 -0.00000 0.00000 139 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00011 140 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 141 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 142 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 143 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 144 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 145 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 147 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 148 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 149 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 150 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 151 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 152 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 153 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 155 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 156 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 157 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 158 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 159 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 160 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 164 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 165 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 166 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 167 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 168 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 170 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 171 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 173 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 174 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 175 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 176 17 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 177 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 178 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 179 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 181 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 183 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 185 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 186 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 187 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 188 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 191 18 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 192 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 193 2PX -0.00001 0.00000 0.00002 0.00000 -0.00000 194 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 195 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 196 3S -0.00013 0.00001 0.00002 0.00000 -0.00000 197 3PX -0.00020 0.00001 0.00005 0.00000 -0.00000 198 3PY -0.00005 0.00000 0.00000 -0.00000 -0.00000 199 3PZ -0.00000 -0.00000 -0.00000 0.00007 0.00005 200 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 202 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 203 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 204 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 207 2S 0.00002 0.00000 -0.00001 -0.00000 0.00000 208 20 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 209 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 210 21 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 211 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 212 22 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 213 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 214 23 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 215 2S -0.00006 0.00000 -0.00000 -0.00000 -0.00000 216 24 C 1S -0.00006 0.00000 -0.00007 -0.00000 -0.00000 217 2S 0.00124 -0.00017 0.00119 0.00000 0.00000 218 2PX 0.00152 -0.00013 0.00003 0.00000 0.00000 219 2PY -0.00009 -0.00038 0.00207 0.00000 -0.00000 220 2PZ -0.00000 0.00000 0.00000 0.00036 0.00107 221 3S 0.00205 -0.00030 0.00088 0.00000 0.00000 222 3PX 0.00038 -0.00010 -0.00012 -0.00000 0.00000 223 3PY 0.00069 -0.00029 0.00024 0.00000 -0.00000 224 3PZ -0.00000 -0.00000 0.00000 0.00032 0.00096 225 4XX -0.00010 0.00000 0.00000 0.00000 -0.00000 226 4YY 0.00011 -0.00002 -0.00004 -0.00000 0.00000 227 4ZZ -0.00002 0.00001 -0.00002 0.00000 -0.00000 228 4XY -0.00004 -0.00002 0.00006 0.00000 -0.00000 229 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00001 230 4YZ 0.00000 -0.00000 -0.00000 -0.00001 -0.00004 231 25 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 233 2PX -0.00001 0.00000 0.00002 0.00000 -0.00000 234 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 235 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 236 3S -0.00013 0.00001 0.00002 0.00000 -0.00000 237 3PX -0.00020 0.00001 0.00005 0.00000 -0.00000 238 3PY -0.00005 0.00000 0.00000 -0.00000 -0.00000 239 3PZ -0.00000 -0.00000 -0.00000 0.00007 0.00005 240 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 241 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 242 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 243 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 244 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 246 26 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 247 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 251 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 253 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 255 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 256 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 257 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 258 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 259 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 264 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 265 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 266 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 267 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 268 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 269 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 270 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 271 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 273 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 274 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 275 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 276 28 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 277 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 278 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 279 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 280 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 281 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 282 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 283 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 284 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 285 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 286 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 287 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 288 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 289 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 290 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 291 29 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 292 2S 0.00001 0.00000 -0.00000 -0.00000 0.00000 293 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 294 2PY 0.00005 0.00000 -0.00000 -0.00000 0.00000 295 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00001 296 3S 0.00019 0.00001 -0.00002 -0.00000 0.00000 297 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 298 3PY 0.00040 0.00002 -0.00003 -0.00000 0.00000 299 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00011 300 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 301 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 302 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 303 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 304 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 305 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 307 2S -0.00006 0.00000 -0.00000 -0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 309 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 310 32 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 311 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 312 33 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 313 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 315 2S 0.00002 0.00000 -0.00001 -0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05001 17 2S -0.01361 0.33248 18 2PX 0.00000 0.00000 0.38370 19 2PY 0.00000 0.00000 0.00000 0.42865 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.35424 21 3S -0.03220 0.22348 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.03974 0.00000 0.00000 23 3PY 0.00000 0.00000 -0.00000 0.05250 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.12858 25 4XX -0.00148 0.00038 0.00000 0.00000 0.00000 26 4YY -0.00130 -0.00282 0.00000 0.00000 0.00000 27 4ZZ -0.00087 -0.01100 0.00000 0.00000 0.00000 28 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 -0.00041 -0.00068 -0.00161 -0.00000 32 2S -0.00039 0.00931 0.01041 0.02654 0.00000 33 2PX -0.00076 0.01296 0.00355 0.03073 0.00000 34 2PY -0.00143 0.02403 0.02493 0.03616 0.00000 35 2PZ -0.00000 0.00000 0.00000 0.00000 0.01628 36 3S -0.00041 0.01239 0.01561 0.03326 0.00000 37 3PX -0.00006 0.00243 -0.00036 0.01559 0.00000 38 3PY -0.00076 0.01424 0.01128 0.00302 0.00000 39 3PZ -0.00000 0.00000 0.00000 0.00000 0.02498 40 4XX -0.00000 -0.00013 -0.00048 0.00049 0.00000 41 4YY -0.00008 0.00127 0.00205 -0.00130 -0.00000 42 4ZZ 0.00000 -0.00030 -0.00027 -0.00049 0.00000 43 4XY -0.00012 0.00162 0.00022 0.00209 0.00000 44 4XZ -0.00000 0.00000 0.00000 0.00000 0.00066 45 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00115 46 4 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00004 -0.00013 -0.00006 -0.00000 48 2PX 0.00000 -0.00022 -0.00040 -0.00020 -0.00000 49 2PY 0.00000 -0.00004 -0.00007 -0.00004 -0.00000 50 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 51 3S 0.00001 -0.00073 -0.00276 -0.00008 0.00000 52 3PX 0.00014 -0.00254 -0.00413 -0.00075 -0.00000 53 3PY -0.00003 0.00004 -0.00014 0.00005 -0.00000 54 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00079 55 4XX -0.00000 0.00000 0.00002 0.00001 0.00000 56 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 58 4XY -0.00000 0.00001 0.00003 0.00003 0.00000 59 4XZ -0.00000 0.00000 0.00000 0.00000 0.00001 60 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 63 2PX 0.00000 -0.00001 -0.00004 0.00000 -0.00000 64 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 65 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 66 3S 0.00002 -0.00037 -0.00053 -0.00000 -0.00000 67 3PX 0.00004 -0.00052 -0.00033 0.00000 -0.00000 68 3PY -0.00000 0.00000 0.00000 -0.00020 -0.00000 69 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00081 70 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 71 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 73 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 74 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 75 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 76 6 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00004 -0.00013 -0.00006 -0.00000 78 2PX 0.00000 -0.00022 -0.00040 -0.00020 -0.00000 79 2PY 0.00000 -0.00004 -0.00007 -0.00004 -0.00000 80 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 81 3S 0.00001 -0.00073 -0.00276 -0.00008 -0.00000 82 3PX 0.00014 -0.00254 -0.00413 -0.00075 -0.00000 83 3PY -0.00003 0.00004 -0.00014 0.00005 -0.00000 84 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00079 85 4XX -0.00000 0.00000 0.00002 0.00001 0.00000 86 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 88 4XY -0.00000 0.00001 0.00003 0.00003 0.00000 89 4XZ -0.00000 0.00000 0.00000 0.00000 0.00001 90 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 91 7 C 1S 0.00000 -0.00041 -0.00068 -0.00161 -0.00000 92 2S -0.00039 0.00931 0.01041 0.02654 0.00000 93 2PX -0.00076 0.01296 0.00355 0.03073 0.00000 94 2PY -0.00143 0.02403 0.02493 0.03616 0.00000 95 2PZ -0.00000 0.00000 0.00000 0.00000 0.01628 96 3S -0.00041 0.01239 0.01561 0.03326 0.00000 97 3PX -0.00006 0.00243 -0.00036 0.01559 0.00000 98 3PY -0.00076 0.01424 0.01128 0.00302 0.00000 99 3PZ -0.00000 0.00000 0.00000 0.00000 0.02498 100 4XX -0.00000 -0.00013 -0.00048 0.00049 0.00000 101 4YY -0.00008 0.00127 0.00205 -0.00130 -0.00000 102 4ZZ 0.00000 -0.00030 -0.00027 -0.00049 0.00000 103 4XY -0.00012 0.00162 0.00022 0.00209 0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00066 105 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00115 106 8 H 1S 0.00000 -0.00014 -0.00004 -0.00065 -0.00000 107 2S 0.00016 -0.00242 -0.00009 -0.01230 -0.00000 108 9 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 109 2S -0.00000 0.00009 0.00013 0.00020 0.00000 110 10 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 111 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 112 11 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 113 2S -0.00000 0.00009 0.00013 0.00020 0.00000 114 12 H 1S 0.00000 -0.00014 -0.00004 -0.00065 -0.00000 115 2S 0.00016 -0.00242 -0.00009 -0.01230 -0.00000 116 13 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 -0.00002 -0.00008 -0.00002 -0.00000 118 2PX 0.00000 -0.00007 -0.00023 -0.00005 -0.00000 119 2PY 0.00000 -0.00003 -0.00015 -0.00001 0.00000 120 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00002 121 3S 0.00004 -0.00095 -0.00243 -0.00157 -0.00000 122 3PX 0.00000 0.00001 0.00101 -0.00222 -0.00000 123 3PY 0.00004 -0.00063 -0.00193 -0.00057 0.00000 124 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00062 125 4XX -0.00000 0.00001 0.00003 0.00000 0.00000 126 4YY 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 127 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 128 4XY -0.00000 0.00000 0.00001 -0.00000 -0.00000 129 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 130 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 132 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 133 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 135 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 136 3S 0.00000 -0.00006 -0.00015 -0.00014 -0.00000 137 3PX -0.00000 0.00007 -0.00005 0.00046 0.00000 138 3PY 0.00001 -0.00014 -0.00050 0.00050 0.00000 139 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00010 140 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 142 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 143 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 144 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 145 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 146 15 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 147 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 148 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 149 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 150 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 151 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 152 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 153 3PY -0.00000 -0.00000 -0.00000 0.00001 0.00000 154 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 155 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 157 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 158 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 160 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 165 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 166 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 167 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 168 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 169 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 171 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 172 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 173 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 174 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 175 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 178 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 179 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 181 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 182 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 183 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 184 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 190 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 191 18 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 192 2S -0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 195 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 196 3S -0.00000 0.00001 0.00005 -0.00000 -0.00000 197 3PX -0.00000 0.00003 0.00013 0.00000 0.00000 198 3PY -0.00000 0.00000 0.00001 0.00001 0.00000 199 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00001 200 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 201 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 202 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 203 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 204 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 205 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 206 19 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 207 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S -0.00000 0.00000 0.00000 0.00000 0.00000 210 21 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 211 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 212 22 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 213 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 23 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 215 2S -0.00001 0.00015 0.00006 0.00034 0.00000 216 24 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 -0.00002 -0.00008 -0.00002 -0.00000 218 2PX 0.00000 -0.00007 -0.00023 -0.00005 -0.00000 219 2PY 0.00000 -0.00003 -0.00015 -0.00001 0.00000 220 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00002 221 3S 0.00004 -0.00095 -0.00243 -0.00157 -0.00000 222 3PX 0.00000 0.00001 0.00101 -0.00222 -0.00000 223 3PY 0.00004 -0.00063 -0.00193 -0.00057 0.00000 224 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00062 225 4XX -0.00000 0.00001 0.00003 0.00000 0.00000 226 4YY 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 227 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 228 4XY -0.00000 0.00000 0.00001 -0.00000 -0.00000 229 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 230 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 231 25 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 2S -0.00000 0.00000 0.00000 0.00000 0.00000 233 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 234 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 235 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 236 3S -0.00000 0.00001 0.00005 -0.00000 -0.00000 237 3PX -0.00000 0.00003 0.00013 0.00000 0.00000 238 3PY -0.00000 0.00000 0.00001 0.00001 -0.00000 239 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00001 240 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 241 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 242 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 243 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 244 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 245 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 248 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 250 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 251 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 252 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 253 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 254 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 260 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 265 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 266 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 267 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 268 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 269 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 271 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 272 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 273 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 274 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 275 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 276 28 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 277 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 278 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 279 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 280 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 281 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 282 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 283 3PY -0.00000 -0.00000 -0.00000 0.00001 0.00000 284 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 285 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 287 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 288 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 290 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 291 29 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 292 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 293 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 294 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 295 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 296 3S 0.00000 -0.00006 -0.00015 -0.00014 -0.00000 297 3PX -0.00000 0.00007 -0.00005 0.00046 0.00000 298 3PY 0.00001 -0.00014 -0.00050 0.00050 0.00000 299 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00010 300 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 301 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 302 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 303 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 304 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 305 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 306 30 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 307 2S -0.00001 0.00015 0.00006 0.00034 0.00000 308 31 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 309 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 310 32 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 311 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 0.00000 0.00000 0.00000 0.00000 314 34 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 315 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 21 22 23 24 25 21 3S 0.32445 22 3PX 0.00000 0.05067 23 3PY 0.00000 -0.00000 0.05539 24 3PZ 0.00000 0.00000 0.00000 0.14580 25 4XX 0.00150 0.00000 0.00000 0.00000 0.00131 26 4YY -0.00337 0.00000 0.00000 0.00000 -0.00025 27 4ZZ -0.00730 0.00000 0.00000 0.00000 0.00001 28 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 31 3 C 1S 0.00059 -0.00015 -0.00072 -0.00000 0.00000 32 2S 0.00074 0.00710 0.00902 0.00000 -0.00019 33 2PX 0.01034 0.00123 0.00355 0.00000 -0.00065 34 2PY 0.02060 0.00174 0.00359 0.00000 0.00048 35 2PZ 0.00000 0.00000 0.00000 0.02449 0.00000 36 3S 0.00166 0.00530 0.00637 0.00000 -0.00086 37 3PX -0.00615 -0.00092 -0.00135 -0.00000 -0.00076 38 3PY 0.00927 0.00033 -0.00012 0.00000 0.00024 39 3PZ 0.00000 0.00000 0.00000 0.03870 0.00000 40 4XX 0.00018 -0.00028 0.00052 0.00000 0.00003 41 4YY 0.00093 0.00006 -0.00076 -0.00000 -0.00017 42 4ZZ -0.00027 -0.00021 -0.00014 -0.00000 0.00000 43 4XY 0.00088 0.00002 0.00014 -0.00000 0.00001 44 4XZ 0.00000 0.00000 -0.00000 0.00050 0.00000 45 4YZ 0.00000 -0.00000 -0.00000 0.00078 -0.00000 46 4 C 1S -0.00000 -0.00010 -0.00003 -0.00000 -0.00000 47 2S -0.00064 -0.00058 0.00012 0.00000 0.00001 48 2PX -0.00282 0.00267 0.00037 0.00000 0.00009 49 2PY -0.00201 -0.00108 -0.00048 0.00000 0.00000 50 2PZ -0.00000 -0.00000 0.00000 -0.00076 -0.00000 51 3S -0.00265 0.00031 0.00022 0.00000 0.00012 52 3PX -0.00891 0.00217 -0.00052 -0.00000 0.00041 53 3PY -0.00281 -0.00043 0.00029 -0.00000 -0.00004 54 3PZ -0.00000 -0.00000 -0.00000 -0.00377 -0.00000 55 4XX -0.00002 0.00027 -0.00003 -0.00000 0.00000 56 4YY 0.00004 -0.00017 0.00007 0.00000 -0.00000 57 4ZZ 0.00003 0.00000 -0.00001 0.00000 -0.00000 58 4XY 0.00013 0.00006 0.00005 -0.00000 0.00000 59 4XZ 0.00000 0.00000 -0.00000 0.00016 0.00000 60 4YZ 0.00000 -0.00000 0.00000 -0.00004 -0.00000 61 5 C 1S 0.00002 0.00008 0.00000 0.00000 0.00000 62 2S -0.00052 -0.00118 -0.00000 -0.00000 -0.00000 63 2PX -0.00158 -0.00215 0.00000 -0.00000 -0.00000 64 2PY 0.00000 -0.00000 -0.00055 -0.00000 -0.00000 65 2PZ -0.00000 -0.00000 -0.00000 -0.00085 -0.00000 66 3S -0.00285 -0.00338 0.00000 -0.00000 -0.00003 67 3PX -0.00342 -0.00339 -0.00000 -0.00000 0.00000 68 3PY -0.00000 0.00000 -0.00192 -0.00000 -0.00000 69 3PZ -0.00000 -0.00000 -0.00000 -0.00475 0.00000 70 4XX -0.00003 0.00014 -0.00000 0.00000 0.00000 71 4YY 0.00002 -0.00003 0.00000 -0.00000 -0.00000 72 4ZZ 0.00001 0.00002 -0.00000 0.00000 -0.00000 73 4XY 0.00000 0.00000 -0.00003 -0.00000 0.00000 74 4XZ -0.00000 0.00000 -0.00000 -0.00001 0.00000 75 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 76 6 C 1S -0.00000 -0.00010 -0.00003 -0.00000 -0.00000 77 2S -0.00064 -0.00058 0.00012 0.00000 0.00001 78 2PX -0.00282 0.00267 0.00037 0.00000 0.00009 79 2PY -0.00201 -0.00108 -0.00048 0.00000 0.00000 80 2PZ -0.00000 -0.00000 0.00000 -0.00076 0.00000 81 3S -0.00265 0.00031 0.00022 0.00000 0.00012 82 3PX -0.00892 0.00217 -0.00052 -0.00000 0.00041 83 3PY -0.00281 -0.00043 0.00029 -0.00000 -0.00004 84 3PZ -0.00000 -0.00000 -0.00000 -0.00377 -0.00000 85 4XX -0.00002 0.00027 -0.00003 -0.00000 0.00000 86 4YY 0.00004 -0.00017 0.00007 0.00000 -0.00000 87 4ZZ 0.00003 0.00000 -0.00001 0.00000 -0.00000 88 4XY 0.00013 0.00006 0.00005 -0.00000 0.00000 89 4XZ 0.00000 0.00000 -0.00000 0.00016 0.00000 90 4YZ 0.00000 -0.00000 0.00000 -0.00004 -0.00000 91 7 C 1S 0.00059 -0.00015 -0.00072 -0.00000 0.00000 92 2S 0.00074 0.00710 0.00902 0.00000 -0.00019 93 2PX 0.01034 0.00123 0.00355 0.00000 -0.00065 94 2PY 0.02060 0.00174 0.00359 0.00000 0.00048 95 2PZ 0.00000 0.00000 0.00000 0.02449 0.00000 96 3S 0.00166 0.00530 0.00637 0.00000 -0.00086 97 3PX -0.00615 -0.00093 -0.00135 -0.00000 -0.00076 98 3PY 0.00927 0.00033 -0.00012 0.00000 0.00024 99 3PZ 0.00000 0.00000 0.00000 0.03870 0.00000 100 4XX 0.00018 -0.00028 0.00052 0.00000 0.00003 101 4YY 0.00093 0.00006 -0.00076 -0.00000 -0.00017 102 4ZZ -0.00027 -0.00021 -0.00014 -0.00000 0.00000 103 4XY 0.00088 0.00002 0.00014 -0.00000 0.00001 104 4XZ 0.00000 0.00000 -0.00000 0.00050 0.00000 105 4YZ 0.00000 -0.00000 -0.00000 0.00078 -0.00000 106 8 H 1S -0.00310 0.00004 -0.00619 -0.00000 -0.00001 107 2S -0.01055 -0.00010 -0.01869 -0.00000 -0.00024 108 9 H 1S 0.00011 -0.00001 0.00020 0.00000 -0.00000 109 2S 0.00123 0.00002 0.00176 0.00000 -0.00001 110 10 H 1S 0.00001 0.00002 0.00000 0.00000 0.00000 111 2S 0.00014 0.00039 0.00000 0.00000 0.00000 112 11 H 1S 0.00011 -0.00001 0.00020 0.00000 -0.00000 113 2S 0.00123 0.00002 0.00176 0.00000 -0.00001 114 12 H 1S -0.00310 0.00004 -0.00619 -0.00000 -0.00001 115 2S -0.01055 -0.00010 -0.01869 -0.00000 -0.00024 116 13 C 1S 0.00004 0.00006 -0.00002 -0.00000 -0.00000 117 2S -0.00095 -0.00095 0.00032 0.00000 0.00000 118 2PX -0.00358 -0.00482 0.00022 0.00000 -0.00000 119 2PY -0.00043 0.00051 0.00039 0.00000 0.00000 120 2PZ -0.00000 0.00000 0.00000 -0.00062 0.00000 121 3S -0.00676 -0.00682 0.00240 0.00000 -0.00005 122 3PX 0.00019 -0.00064 0.00241 0.00000 0.00007 123 3PY -0.00461 -0.00475 0.00003 -0.00000 -0.00007 124 3PZ -0.00000 -0.00000 -0.00000 -0.00314 -0.00000 125 4XX 0.00021 0.00025 -0.00003 -0.00000 0.00000 126 4YY -0.00012 -0.00017 0.00001 -0.00000 -0.00000 127 4ZZ 0.00002 0.00002 -0.00001 -0.00000 -0.00000 128 4XY 0.00002 0.00004 0.00002 -0.00000 0.00000 129 4XZ 0.00000 0.00000 -0.00000 0.00005 0.00000 130 4YZ -0.00000 -0.00000 -0.00000 0.00003 -0.00000 131 14 C 1S 0.00000 0.00000 0.00001 0.00000 -0.00000 132 2S -0.00008 -0.00007 -0.00033 -0.00000 0.00000 133 2PX -0.00015 -0.00007 -0.00069 -0.00000 0.00000 134 2PY -0.00068 -0.00113 -0.00089 -0.00000 -0.00000 135 2PZ -0.00000 -0.00000 -0.00000 -0.00016 -0.00000 136 3S -0.00167 -0.00189 -0.00172 -0.00000 0.00001 137 3PX -0.00023 -0.00001 -0.00092 -0.00000 0.00001 138 3PY -0.00358 -0.00293 -0.00293 -0.00000 -0.00006 139 3PZ -0.00000 -0.00000 -0.00000 -0.00071 -0.00000 140 4XX 0.00001 0.00001 -0.00006 -0.00000 0.00000 141 4YY -0.00001 -0.00002 0.00006 0.00000 -0.00000 142 4ZZ 0.00000 0.00000 0.00001 0.00000 -0.00000 143 4XY -0.00000 0.00000 0.00003 0.00000 -0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 145 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 146 15 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00001 0.00001 0.00000 0.00000 149 2PY 0.00000 0.00001 0.00001 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00002 0.00006 0.00008 0.00000 -0.00000 152 3PX 0.00001 0.00003 0.00008 0.00000 -0.00000 153 3PY 0.00004 0.00008 0.00004 0.00000 -0.00000 154 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 155 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 157 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 163 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 164 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 165 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 166 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 167 3PX -0.00001 -0.00001 -0.00001 -0.00000 0.00000 168 3PY 0.00000 0.00000 0.00001 -0.00000 0.00000 169 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 171 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 172 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 173 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 174 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 175 4YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 178 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 179 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 181 3S -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 182 3PX -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 183 3PY -0.00001 -0.00002 -0.00001 -0.00000 0.00000 184 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 186 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 189 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 190 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 191 18 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 192 2S 0.00001 0.00002 -0.00001 -0.00000 0.00000 193 2PX 0.00006 0.00017 0.00000 0.00000 0.00000 194 2PY 0.00001 0.00006 0.00001 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 196 3S 0.00044 0.00058 0.00002 0.00000 0.00000 197 3PX 0.00098 0.00159 0.00003 0.00000 0.00000 198 3PY 0.00019 0.00058 0.00002 -0.00000 0.00000 199 3PZ 0.00000 0.00000 -0.00000 -0.00018 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 201 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 202 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 203 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 204 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 205 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 206 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 207 2S -0.00001 0.00001 0.00000 0.00000 -0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 210 21 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 212 22 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 213 2S -0.00000 0.00000 0.00001 0.00000 -0.00000 214 23 H 1S -0.00018 -0.00001 -0.00128 -0.00000 0.00000 215 2S 0.00033 0.00024 -0.00358 -0.00000 0.00001 216 24 C 1S 0.00004 0.00006 -0.00002 -0.00000 -0.00000 217 2S -0.00095 -0.00095 0.00032 0.00000 0.00000 218 2PX -0.00358 -0.00482 0.00022 0.00000 -0.00000 219 2PY -0.00043 0.00051 0.00039 0.00000 0.00000 220 2PZ -0.00000 0.00000 0.00000 -0.00062 0.00000 221 3S -0.00676 -0.00682 0.00240 0.00000 -0.00005 222 3PX 0.00019 -0.00064 0.00241 0.00000 0.00007 223 3PY -0.00461 -0.00475 0.00003 -0.00000 -0.00007 224 3PZ -0.00000 -0.00000 -0.00000 -0.00314 -0.00000 225 4XX 0.00021 0.00025 -0.00003 -0.00000 0.00000 226 4YY -0.00012 -0.00017 0.00001 -0.00000 -0.00000 227 4ZZ 0.00002 0.00002 -0.00001 -0.00000 -0.00000 228 4XY 0.00002 0.00004 0.00002 -0.00000 0.00000 229 4XZ 0.00000 0.00000 -0.00000 0.00005 0.00000 230 4YZ -0.00000 -0.00000 -0.00000 0.00003 -0.00000 231 25 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 232 2S 0.00001 0.00002 -0.00001 -0.00000 0.00000 233 2PX 0.00006 0.00017 0.00000 -0.00000 0.00000 234 2PY 0.00001 0.00006 0.00001 0.00000 0.00000 235 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 236 3S 0.00044 0.00058 0.00002 0.00000 0.00000 237 3PX 0.00098 0.00159 0.00003 -0.00000 0.00000 238 3PY 0.00019 0.00058 0.00002 -0.00000 0.00000 239 3PZ 0.00000 0.00000 -0.00000 -0.00018 0.00000 240 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 241 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 242 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 243 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 244 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 245 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 248 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 250 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 251 3S -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 252 3PX -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 253 3PY -0.00001 -0.00002 -0.00001 -0.00000 0.00000 254 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 256 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 259 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 260 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 263 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 264 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 265 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 266 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 267 3PX -0.00001 -0.00001 -0.00001 -0.00000 0.00000 268 3PY 0.00000 0.00000 0.00001 -0.00000 0.00000 269 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 271 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 272 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 273 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 274 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 275 4YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 276 28 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00001 0.00001 0.00000 0.00000 279 2PY 0.00000 0.00001 0.00001 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.00002 0.00006 0.00008 0.00000 -0.00000 282 3PX 0.00001 0.00003 0.00008 0.00000 -0.00000 283 3PY 0.00004 0.00008 0.00004 0.00000 -0.00000 284 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 285 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 287 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 291 29 C 1S 0.00000 0.00000 0.00001 0.00000 -0.00000 292 2S -0.00008 -0.00007 -0.00033 -0.00000 0.00000 293 2PX -0.00015 -0.00007 -0.00069 -0.00000 0.00000 294 2PY -0.00068 -0.00113 -0.00089 -0.00000 -0.00000 295 2PZ -0.00000 -0.00000 -0.00000 -0.00016 -0.00000 296 3S -0.00167 -0.00189 -0.00172 -0.00000 0.00001 297 3PX -0.00023 -0.00001 -0.00092 -0.00000 0.00001 298 3PY -0.00358 -0.00293 -0.00293 -0.00000 -0.00006 299 3PZ -0.00000 -0.00000 -0.00000 -0.00071 -0.00000 300 4XX 0.00001 0.00001 -0.00006 -0.00000 0.00000 301 4YY -0.00001 -0.00002 0.00006 0.00000 -0.00000 302 4ZZ 0.00000 0.00000 0.00001 0.00000 -0.00000 303 4XY -0.00000 0.00000 0.00003 0.00000 -0.00000 304 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 305 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 306 30 H 1S -0.00018 -0.00001 -0.00128 -0.00000 0.00000 307 2S 0.00033 0.00024 -0.00358 -0.00000 0.00001 308 31 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 309 2S -0.00000 0.00000 0.00001 0.00000 -0.00000 310 32 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 315 2S -0.00001 0.00001 0.00000 0.00000 -0.00000 26 27 28 29 30 26 4YY 0.00119 27 4ZZ 0.00010 0.00084 28 4XY -0.00000 -0.00000 0.00137 29 4XZ -0.00000 0.00000 0.00000 0.00038 30 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00068 31 3 C 1S -0.00009 0.00000 -0.00015 -0.00000 -0.00000 32 2S 0.00126 -0.00027 0.00188 0.00000 0.00000 33 2PX 0.00210 -0.00022 0.00016 0.00000 0.00000 34 2PY -0.00109 -0.00047 0.00236 0.00000 -0.00000 35 2PZ -0.00000 0.00000 0.00000 0.00037 0.00128 36 3S 0.00203 -0.00069 0.00096 0.00000 0.00000 37 3PX 0.00119 -0.00001 -0.00009 -0.00000 0.00000 38 3PY -0.00057 -0.00044 0.00010 -0.00000 -0.00000 39 3PZ -0.00000 -0.00000 -0.00000 0.00024 0.00099 40 4XX -0.00014 0.00000 0.00002 0.00000 -0.00000 41 4YY 0.00012 -0.00002 -0.00014 -0.00000 0.00000 42 4ZZ -0.00002 0.00001 -0.00003 0.00000 0.00000 43 4XY -0.00008 -0.00003 0.00007 0.00000 -0.00000 44 4XZ 0.00000 -0.00000 0.00000 -0.00001 -0.00006 45 4YZ 0.00000 0.00000 -0.00000 0.00002 -0.00001 46 4 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 47 2S -0.00000 0.00000 0.00001 0.00000 -0.00000 48 2PX -0.00002 0.00000 0.00004 0.00000 -0.00000 49 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 50 2PZ -0.00000 0.00000 -0.00000 0.00001 0.00001 51 3S -0.00009 0.00002 0.00006 0.00000 -0.00000 52 3PX -0.00017 0.00005 0.00007 0.00000 -0.00000 53 3PY 0.00001 0.00001 0.00001 0.00000 -0.00000 54 3PZ -0.00000 -0.00000 0.00000 0.00006 0.00011 55 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 57 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 58 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 59 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 61 5 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 62 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 64 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 65 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 66 3S 0.00002 0.00001 -0.00000 -0.00000 0.00000 67 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 68 3PY 0.00000 0.00000 -0.00002 -0.00000 -0.00000 69 3PZ 0.00000 -0.00000 -0.00000 0.00002 0.00000 70 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 71 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 72 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 74 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 76 6 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 77 2S -0.00000 0.00000 0.00001 0.00000 -0.00000 78 2PX -0.00002 0.00000 0.00004 0.00000 -0.00000 79 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 80 2PZ -0.00000 0.00000 -0.00000 0.00001 0.00001 81 3S -0.00009 0.00002 0.00006 0.00000 -0.00000 82 3PX -0.00017 0.00005 0.00007 0.00000 -0.00000 83 3PY 0.00001 0.00001 0.00001 0.00000 -0.00000 84 3PZ -0.00000 -0.00000 0.00000 0.00006 0.00011 85 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 87 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 88 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 89 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 91 7 C 1S -0.00009 0.00000 -0.00015 -0.00000 -0.00000 92 2S 0.00126 -0.00027 0.00188 0.00000 0.00000 93 2PX 0.00210 -0.00022 0.00016 0.00000 0.00000 94 2PY -0.00109 -0.00047 0.00236 0.00000 -0.00000 95 2PZ -0.00000 0.00000 0.00000 0.00037 0.00128 96 3S 0.00203 -0.00069 0.00096 0.00000 0.00000 97 3PX 0.00119 -0.00001 -0.00009 -0.00000 0.00000 98 3PY -0.00057 -0.00044 0.00010 -0.00000 -0.00000 99 3PZ -0.00000 -0.00000 -0.00000 0.00024 0.00099 100 4XX -0.00014 0.00000 0.00002 0.00000 -0.00000 101 4YY 0.00012 -0.00002 -0.00014 -0.00000 0.00000 102 4ZZ -0.00002 0.00001 -0.00003 0.00000 0.00000 103 4XY -0.00008 -0.00003 0.00007 0.00000 -0.00000 104 4XZ 0.00000 -0.00000 0.00000 -0.00001 -0.00006 105 4YZ 0.00000 0.00000 -0.00000 0.00002 -0.00001 106 8 H 1S 0.00009 0.00000 -0.00001 -0.00000 0.00000 107 2S 0.00058 0.00006 -0.00015 -0.00000 0.00000 108 9 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 110 10 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 111 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 112 11 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 113 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 114 12 H 1S 0.00009 0.00000 -0.00001 -0.00000 0.00000 115 2S 0.00058 0.00006 -0.00015 -0.00000 0.00000 116 13 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 117 2S 0.00000 0.00000 0.00001 0.00000 0.00000 118 2PX 0.00000 0.00000 0.00002 0.00000 0.00000 119 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 120 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 121 3S 0.00005 0.00002 0.00011 0.00000 0.00000 122 3PX -0.00006 -0.00001 0.00009 0.00000 -0.00000 123 3PY 0.00004 0.00002 0.00003 -0.00000 0.00000 124 3PZ 0.00000 -0.00000 -0.00000 0.00007 0.00001 125 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 126 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 127 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 128 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 129 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 131 14 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 132 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 133 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 134 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 135 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 136 3S -0.00002 0.00000 -0.00002 -0.00000 -0.00000 137 3PX -0.00003 0.00000 -0.00000 0.00000 -0.00000 138 3PY 0.00008 0.00001 -0.00001 -0.00000 0.00000 139 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 140 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 141 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 142 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 147 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 151 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 155 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 156 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 157 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 158 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 159 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 163 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 164 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 166 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 167 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 168 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 169 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 170 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 171 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 173 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 175 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 184 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 185 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 187 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 188 4XY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 189 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 190 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 193 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 195 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 196 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 199 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 203 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 204 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 207 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 213 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 214 23 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 215 2S -0.00002 0.00000 -0.00001 -0.00000 -0.00000 216 24 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 217 2S 0.00000 0.00000 0.00001 0.00000 0.00000 218 2PX 0.00000 0.00000 0.00002 0.00000 0.00000 219 2PY 0.00000 0.00000 0.00001 0.00000 -0.00000 220 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 221 3S 0.00005 0.00002 0.00011 0.00000 0.00000 222 3PX -0.00006 -0.00001 0.00009 0.00000 -0.00000 223 3PY 0.00004 0.00002 0.00003 0.00000 0.00000 224 3PZ 0.00000 -0.00000 0.00000 0.00007 0.00001 225 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 227 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 228 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 229 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 235 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 236 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 237 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 238 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 239 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 240 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 241 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 242 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 243 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 244 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 254 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 255 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 256 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 257 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 258 4XY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 259 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 260 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 263 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 264 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 266 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 267 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 268 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 269 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 270 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 271 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 273 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 276 28 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 277 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 281 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 282 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 283 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 284 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 285 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 286 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 287 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 288 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 289 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 291 29 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 292 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 293 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 294 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 295 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 296 3S -0.00002 0.00000 -0.00002 -0.00000 -0.00000 297 3PX -0.00003 0.00000 -0.00000 -0.00000 -0.00000 298 3PY 0.00008 0.00001 -0.00001 -0.00000 0.00000 299 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 300 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 301 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 302 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 303 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 304 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 307 2S -0.00002 0.00000 -0.00001 -0.00000 -0.00000 308 31 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 309 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 315 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.05345 32 2S -0.01436 0.33572 33 2PX 0.00000 0.00000 0.43300 34 2PY 0.00000 0.00000 -0.00000 0.43672 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.31455 36 3S -0.03280 0.22693 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.08147 0.00000 0.00000 38 3PY 0.00000 0.00000 -0.00000 0.08036 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.12076 40 4XX -0.00137 -0.00180 0.00000 0.00000 0.00000 41 4YY -0.00160 0.00182 0.00000 0.00000 0.00000 42 4ZZ -0.00089 -0.01155 0.00000 0.00000 0.00000 43 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 44 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00056 -0.00290 0.00000 -0.00000 47 2S -0.00056 0.01132 0.04254 -0.00004 0.00000 48 2PX -0.00291 0.04415 0.10189 -0.00010 0.00000 49 2PY -0.00000 0.00002 0.00002 0.00161 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.02398 51 3S 0.00045 0.00605 0.03312 -0.00008 0.00000 52 3PX -0.00162 0.02251 0.01714 0.00004 -0.00000 53 3PY 0.00001 0.00001 -0.00002 0.00435 0.00000 54 3PZ -0.00000 0.00000 0.00000 0.00000 0.03399 55 4XX -0.00029 0.00381 0.00265 0.00001 -0.00000 56 4YY 0.00000 -0.00065 -0.00162 -0.00000 -0.00000 57 4ZZ 0.00000 -0.00035 -0.00086 0.00000 -0.00000 58 4XY 0.00000 -0.00000 0.00002 0.00239 0.00000 59 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00187 60 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 61 5 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00008 -0.00036 -0.00008 -0.00000 63 2PX 0.00000 -0.00024 -0.00070 -0.00012 -0.00000 64 2PY 0.00000 -0.00011 -0.00031 -0.00007 -0.00000 65 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00004 66 3S -0.00007 0.00030 -0.00177 -0.00147 -0.00000 67 3PX -0.00012 0.00008 0.00040 -0.00037 -0.00000 68 3PY 0.00004 -0.00090 -0.00295 -0.00039 0.00000 69 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00014 70 4XX -0.00000 0.00003 0.00015 0.00002 0.00000 71 4YY 0.00000 -0.00001 -0.00002 0.00000 -0.00000 72 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 73 4XY -0.00000 0.00001 0.00008 0.00001 0.00000 74 4XZ -0.00000 0.00000 0.00000 0.00000 0.00001 75 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00001 76 6 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00002 -0.00002 -0.00004 -0.00000 78 2PX 0.00000 -0.00001 0.00002 -0.00006 -0.00000 79 2PY 0.00000 -0.00004 -0.00007 -0.00005 0.00000 80 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00005 81 3S 0.00006 -0.00110 -0.00072 -0.00183 -0.00000 82 3PX 0.00003 -0.00042 0.00018 -0.00082 -0.00000 83 3PY 0.00010 -0.00123 -0.00114 -0.00102 0.00000 84 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00167 85 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 86 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 87 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 89 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 90 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 91 7 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 92 2S 0.00000 -0.00015 0.00000 -0.00054 -0.00000 93 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 94 2PY 0.00000 -0.00054 0.00000 -0.00128 -0.00000 95 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00016 96 3S 0.00002 -0.00160 0.00000 -0.00481 -0.00000 97 3PX 0.00000 -0.00000 -0.00030 -0.00000 0.00000 98 3PY -0.00003 -0.00137 0.00000 0.00021 0.00000 99 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00237 100 4XX 0.00000 -0.00000 -0.00000 -0.00002 -0.00000 101 4YY -0.00000 0.00007 -0.00000 0.00037 0.00000 102 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 103 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 104 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 105 4YZ -0.00000 0.00000 0.00000 0.00000 0.00003 106 8 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 107 2S -0.00001 0.00021 0.00003 0.00074 0.00000 108 9 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 109 2S 0.00000 -0.00000 0.00001 -0.00001 -0.00000 110 10 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 111 2S -0.00000 0.00011 0.00045 0.00004 0.00000 112 11 H 1S 0.00000 -0.00026 -0.00058 -0.00015 -0.00000 113 2S 0.00026 -0.00377 -0.00693 -0.00188 -0.00000 114 12 H 1S -0.00235 0.03525 0.01597 0.09525 0.00000 115 2S -0.00042 0.00818 0.00655 0.05395 0.00000 116 13 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 117 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 118 2PX 0.00000 -0.00000 -0.00001 0.00000 0.00000 119 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 120 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 121 3S 0.00000 -0.00008 -0.00084 0.00001 0.00000 122 3PX 0.00001 -0.00040 -0.00262 -0.00000 -0.00000 123 3PY -0.00000 0.00000 -0.00005 -0.00011 -0.00000 124 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00016 125 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 126 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 127 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 128 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 129 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 130 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 133 2PX 0.00000 -0.00003 -0.00007 -0.00007 -0.00000 134 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 135 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 136 3S 0.00001 -0.00022 -0.00122 -0.00067 -0.00000 137 3PX 0.00005 -0.00085 -0.00061 -0.00163 -0.00000 138 3PY -0.00002 0.00038 0.00229 0.00029 0.00000 139 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00006 140 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 141 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 143 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 146 15 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 147 2S -0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.00000 0.00000 0.00003 0.00001 0.00000 152 3PX -0.00000 0.00000 0.00002 0.00001 0.00000 153 3PY -0.00000 0.00000 0.00004 0.00002 0.00000 154 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 155 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 156 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 158 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 159 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 160 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 164 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 165 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 166 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 167 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 169 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 178 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 179 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 181 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 182 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 183 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 184 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 185 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 188 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 189 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 193 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 195 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 196 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 3PX 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 198 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 200 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 201 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 202 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 203 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 204 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 205 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 206 19 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 207 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 208 20 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 209 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 212 22 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 -0.00009 -0.00013 -0.00019 -0.00000 215 2S 0.00002 -0.00107 0.00037 -0.00159 -0.00000 216 24 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 217 2S -0.00000 0.00000 0.00000 0.00000 0.00000 218 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 219 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 220 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 221 3S -0.00000 0.00001 0.00005 0.00003 0.00000 222 3PX 0.00000 -0.00001 0.00011 0.00001 0.00000 223 3PY -0.00000 0.00002 0.00009 0.00003 0.00000 224 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00001 225 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 227 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 228 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 229 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 230 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 235 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 236 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 237 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 238 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 239 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 240 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 241 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 242 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 243 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 244 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 250 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 251 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 252 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 253 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 254 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 265 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 266 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 267 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 268 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 269 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 280 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 281 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 282 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 283 3PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 284 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 285 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 286 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 287 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 288 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 289 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 293 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 294 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 295 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 296 3S 0.00000 0.00000 0.00000 0.00000 0.00000 297 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 298 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 299 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 300 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 301 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 302 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 303 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 304 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 306 30 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 307 2S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 0.00000 0.00000 0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 0.00000 0.00000 0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 315 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 3S 0.29448 37 3PX 0.00000 0.07236 38 3PY 0.00000 -0.00000 0.05959 39 3PZ 0.00000 0.00000 0.00000 0.14447 40 4XX -0.00203 0.00000 0.00000 0.00000 0.00103 41 4YY 0.00292 0.00000 0.00000 0.00000 -0.00026 42 4ZZ -0.00778 0.00000 0.00000 0.00000 0.00008 43 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 45 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 46 4 C 1S 0.00071 -0.00168 0.00000 -0.00000 -0.00028 47 2S 0.00535 0.02354 -0.00009 0.00000 0.00368 48 2PX 0.02461 0.01794 -0.00000 0.00000 0.00179 49 2PY 0.00014 -0.00008 0.00740 0.00000 0.00000 50 2PZ -0.00000 0.00000 0.00000 0.03611 -0.00000 51 3S -0.02090 0.00981 -0.00013 0.00000 0.00373 52 3PX 0.00558 0.00144 0.00001 0.00000 0.00051 53 3PY 0.00011 -0.00006 0.00607 0.00000 -0.00000 54 3PZ -0.00000 -0.00000 0.00000 0.05591 0.00000 55 4XX 0.00358 0.00086 0.00001 -0.00000 -0.00005 56 4YY -0.00201 -0.00185 -0.00000 0.00000 -0.00001 57 4ZZ -0.00041 -0.00066 0.00000 -0.00000 -0.00007 58 4XY -0.00000 0.00000 0.00062 0.00000 0.00000 59 4XZ 0.00000 -0.00000 0.00000 0.00123 -0.00000 60 4YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 61 5 C 1S -0.00005 0.00012 -0.00005 -0.00000 -0.00000 62 2S -0.00027 -0.00309 0.00021 0.00000 0.00000 63 2PX -0.00293 -0.00601 0.00220 0.00000 0.00004 64 2PY 0.00128 -0.00112 0.00009 -0.00000 0.00003 65 2PZ 0.00000 -0.00000 -0.00000 0.00023 0.00000 66 3S 0.00408 -0.00381 -0.00173 -0.00000 -0.00003 67 3PX -0.00097 -0.00176 0.00187 0.00000 0.00018 68 3PY 0.00120 -0.00331 0.00017 0.00000 -0.00006 69 3PZ 0.00000 -0.00000 0.00000 -0.00040 -0.00000 70 4XX 0.00028 0.00068 -0.00002 0.00000 0.00000 71 4YY -0.00013 -0.00021 0.00002 -0.00000 0.00000 72 4ZZ -0.00001 0.00001 -0.00002 -0.00000 -0.00000 73 4XY 0.00012 0.00010 0.00002 -0.00000 0.00000 74 4XZ 0.00000 0.00000 -0.00000 0.00006 0.00000 75 4YZ -0.00000 -0.00000 -0.00000 0.00015 0.00000 76 6 C 1S 0.00005 0.00004 0.00004 0.00000 0.00000 77 2S -0.00073 -0.00050 -0.00017 -0.00000 -0.00000 78 2PX 0.00008 0.00015 -0.00030 -0.00000 0.00000 79 2PY -0.00211 -0.00093 0.00019 0.00000 -0.00000 80 2PZ -0.00000 -0.00000 0.00000 -0.00171 -0.00000 81 3S -0.00644 -0.00268 -0.00387 -0.00000 -0.00001 82 3PX -0.00072 0.00004 -0.00131 -0.00000 0.00003 83 3PY -0.00618 -0.00231 -0.00024 0.00000 -0.00006 84 3PZ -0.00000 -0.00000 0.00000 -0.00791 -0.00000 85 4XX 0.00002 0.00005 -0.00006 -0.00000 -0.00000 86 4YY 0.00003 -0.00011 0.00010 0.00000 0.00000 87 4ZZ 0.00001 0.00001 -0.00001 -0.00000 -0.00000 88 4XY 0.00000 0.00003 0.00001 0.00000 -0.00000 89 4XZ 0.00000 0.00000 0.00000 -0.00002 -0.00000 90 4YZ 0.00000 -0.00000 0.00000 0.00002 0.00000 91 7 C 1S 0.00002 -0.00000 -0.00003 -0.00000 0.00000 92 2S -0.00160 0.00000 -0.00137 -0.00000 -0.00000 93 2PX -0.00000 -0.00030 -0.00000 0.00000 0.00000 94 2PY -0.00481 0.00000 0.00021 0.00000 -0.00002 95 2PZ -0.00000 -0.00000 0.00000 -0.00237 -0.00000 96 3S -0.00521 0.00000 -0.00554 -0.00000 -0.00018 97 3PX -0.00000 -0.00041 -0.00000 0.00000 -0.00000 98 3PY -0.00554 0.00000 0.00125 0.00000 -0.00023 99 3PZ -0.00000 -0.00000 0.00000 -0.00917 -0.00000 100 4XX -0.00018 0.00000 -0.00023 -0.00000 0.00000 101 4YY 0.00064 -0.00000 0.00082 -0.00000 -0.00000 102 4ZZ 0.00001 -0.00000 -0.00005 -0.00000 0.00000 103 4XY -0.00000 -0.00010 -0.00000 0.00000 0.00000 104 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00021 0.00000 106 8 H 1S 0.00008 0.00003 0.00002 0.00000 0.00000 107 2S 0.00167 0.00026 0.00180 0.00000 0.00001 108 9 H 1S 0.00001 0.00000 0.00000 0.00000 0.00000 109 2S 0.00024 0.00008 0.00008 0.00000 -0.00000 110 10 H 1S 0.00008 0.00029 -0.00004 -0.00000 -0.00000 111 2S 0.00095 0.00298 -0.00021 -0.00000 -0.00000 112 11 H 1S -0.00475 -0.00028 0.00010 0.00000 0.00005 113 2S -0.01359 -0.00516 -0.00079 -0.00000 0.00005 114 12 H 1S 0.03662 0.01104 0.03929 0.00000 -0.00134 115 2S 0.00065 0.00728 0.03106 0.00000 -0.00231 116 13 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 117 2S -0.00006 -0.00008 0.00001 0.00000 -0.00000 118 2PX -0.00029 0.00046 0.00003 0.00000 -0.00000 119 2PY -0.00001 -0.00008 -0.00001 -0.00000 -0.00000 120 2PZ -0.00000 -0.00000 -0.00000 -0.00010 -0.00000 121 3S -0.00167 -0.00390 0.00009 0.00000 -0.00001 122 3PX -0.00351 -0.00644 0.00013 0.00000 0.00008 123 3PY -0.00010 -0.00010 -0.00037 -0.00000 -0.00000 124 3PZ -0.00000 -0.00000 -0.00000 -0.00071 -0.00000 125 4XX -0.00004 0.00002 -0.00000 -0.00000 0.00000 126 4YY 0.00001 -0.00001 0.00000 -0.00000 -0.00000 127 4ZZ 0.00000 0.00001 -0.00000 -0.00000 -0.00000 128 4XY 0.00000 -0.00001 -0.00002 -0.00000 0.00000 129 4XZ -0.00000 -0.00000 -0.00000 0.00001 0.00000 130 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 131 14 C 1S 0.00001 -0.00000 0.00003 0.00000 -0.00000 132 2S -0.00022 0.00014 -0.00061 -0.00000 0.00000 133 2PX -0.00161 0.00134 -0.00241 -0.00000 0.00000 134 2PY -0.00028 0.00151 -0.00010 -0.00000 -0.00000 135 2PZ -0.00000 0.00000 -0.00000 -0.00006 -0.00000 136 3S -0.00183 -0.00031 -0.00271 -0.00000 0.00004 137 3PX -0.00423 0.00211 -0.00515 -0.00000 0.00006 138 3PY 0.00120 0.00736 0.00005 -0.00000 -0.00009 139 3PZ 0.00000 0.00000 0.00000 0.00029 -0.00000 140 4XX -0.00009 0.00007 -0.00016 -0.00000 0.00000 141 4YY 0.00002 -0.00006 0.00004 0.00000 -0.00000 142 4ZZ 0.00001 -0.00002 0.00001 0.00000 -0.00000 143 4XY 0.00003 -0.00004 0.00002 0.00000 -0.00000 144 4XZ 0.00000 -0.00000 0.00000 0.00001 -0.00000 145 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 146 15 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 147 2S 0.00000 -0.00001 0.00001 0.00000 -0.00000 148 2PX 0.00001 -0.00004 0.00003 0.00000 -0.00000 149 2PY 0.00001 -0.00003 0.00002 0.00000 -0.00000 150 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 151 3S 0.00019 0.00014 0.00023 0.00000 -0.00000 152 3PX 0.00016 -0.00013 0.00020 0.00000 -0.00000 153 3PY 0.00016 0.00009 0.00014 0.00000 -0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00001 -0.00000 155 4XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 156 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 157 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 158 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 159 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 160 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 161 16 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 162 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 163 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 164 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 165 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 166 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 167 3PX -0.00001 0.00002 -0.00001 -0.00000 0.00000 168 3PY 0.00000 -0.00002 0.00000 -0.00000 0.00000 169 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 170 4XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 171 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 172 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 173 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 174 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 175 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 176 17 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 177 2S -0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 179 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 180 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 181 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 182 3PX 0.00000 0.00001 -0.00000 -0.00000 -0.00000 183 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 184 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 186 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 187 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 190 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 191 18 C 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 192 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 193 2PX 0.00000 -0.00001 -0.00000 -0.00000 0.00000 194 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 195 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 196 3S -0.00003 -0.00009 -0.00000 -0.00000 0.00000 197 3PX -0.00004 -0.00024 -0.00001 -0.00000 0.00000 198 3PY 0.00000 -0.00001 0.00001 -0.00000 0.00000 199 3PZ 0.00000 -0.00000 -0.00000 -0.00003 0.00000 200 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 202 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 203 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 204 4XZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 205 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 206 19 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 207 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 208 20 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 209 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 210 21 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 212 22 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 213 2S 0.00002 0.00002 0.00005 0.00000 -0.00000 214 23 H 1S -0.00275 0.00309 -0.00498 -0.00000 0.00000 215 2S -0.00605 0.00633 -0.00846 -0.00000 0.00002 216 24 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 217 2S 0.00001 0.00001 0.00002 0.00000 -0.00000 218 2PX 0.00002 0.00006 0.00002 0.00000 -0.00000 219 2PY 0.00003 0.00002 0.00004 0.00000 -0.00000 220 2PZ 0.00000 0.00000 0.00000 -0.00001 -0.00000 221 3S 0.00044 0.00077 0.00040 0.00000 -0.00000 222 3PX 0.00027 0.00084 0.00017 0.00000 -0.00000 223 3PY 0.00032 0.00095 0.00026 0.00000 -0.00000 224 3PZ 0.00000 0.00000 0.00000 -0.00018 -0.00000 225 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 226 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 227 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 228 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 233 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 234 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 235 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 236 3S -0.00001 -0.00000 -0.00000 -0.00000 0.00000 237 3PX -0.00001 -0.00002 -0.00001 -0.00000 0.00000 238 3PY 0.00000 -0.00002 0.00000 0.00000 0.00000 239 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 240 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 241 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 242 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 243 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 244 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 245 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 246 26 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 247 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 248 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 250 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 251 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 252 3PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 253 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 254 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 255 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 258 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 259 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 263 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 264 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 265 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 266 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 267 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 269 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 272 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 281 3S 0.00000 -0.00000 0.00000 0.00000 -0.00000 282 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 283 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 284 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 285 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 288 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 289 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 293 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 294 2PY -0.00000 0.00000 -0.00001 -0.00000 -0.00000 295 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 296 3S -0.00003 -0.00000 -0.00004 -0.00000 -0.00000 297 3PX -0.00002 -0.00007 -0.00004 -0.00000 -0.00000 298 3PY -0.00006 -0.00003 -0.00010 0.00000 -0.00000 299 3PZ -0.00000 -0.00000 0.00000 -0.00003 -0.00000 300 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 301 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 302 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 303 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 304 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 305 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 306 30 H 1S -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 307 2S -0.00011 -0.00007 -0.00016 -0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 0.00000 0.00000 0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 312 33 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 313 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 314 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 315 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 41 42 43 44 45 41 4YY 0.00171 42 4ZZ -0.00003 0.00094 43 4XY -0.00000 0.00000 0.00129 44 4XZ 0.00000 -0.00000 0.00000 0.00067 45 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00030 46 4 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 47 2S -0.00059 -0.00035 0.00000 0.00000 -0.00000 48 2PX -0.00143 -0.00078 -0.00001 0.00000 -0.00000 49 2PY 0.00000 -0.00000 0.00229 0.00000 -0.00000 50 2PZ 0.00000 -0.00000 0.00000 0.00213 0.00000 51 3S -0.00217 -0.00044 0.00000 -0.00000 -0.00000 52 3PX -0.00155 -0.00062 -0.00000 0.00000 -0.00000 53 3PY -0.00000 -0.00000 0.00059 0.00000 -0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00137 0.00000 55 4XX -0.00000 -0.00007 -0.00000 0.00000 -0.00000 56 4YY 0.00003 0.00001 -0.00000 0.00000 0.00000 57 4ZZ 0.00001 0.00002 -0.00000 -0.00000 0.00000 58 4XY 0.00000 0.00000 -0.00034 -0.00000 -0.00000 59 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 61 5 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 62 2S 0.00000 0.00000 0.00002 0.00000 0.00000 63 2PX 0.00001 -0.00000 0.00007 0.00000 0.00000 64 2PY 0.00000 -0.00000 0.00004 0.00000 0.00000 65 2PZ 0.00000 -0.00000 0.00000 0.00003 -0.00000 66 3S 0.00007 -0.00001 0.00015 0.00000 0.00000 67 3PX 0.00000 -0.00004 0.00010 0.00000 -0.00000 68 3PY 0.00013 -0.00001 0.00004 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00023 -0.00003 70 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 71 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 72 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 73 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 74 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 76 6 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 77 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 78 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 79 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 80 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 81 3S 0.00006 0.00002 0.00001 0.00000 0.00000 82 3PX -0.00007 0.00000 0.00003 0.00000 -0.00000 83 3PY 0.00011 0.00002 -0.00001 -0.00000 0.00000 84 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00001 85 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 86 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 87 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 88 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 89 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 90 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 91 7 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 92 2S 0.00007 -0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 94 2PY 0.00037 -0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00003 96 3S 0.00064 0.00001 0.00000 0.00000 0.00000 97 3PX 0.00000 0.00000 -0.00010 -0.00000 -0.00000 98 3PY 0.00082 -0.00005 0.00000 0.00000 0.00000 99 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00021 100 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 101 4YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 102 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 104 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 105 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 106 8 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 107 2S -0.00005 -0.00000 0.00000 0.00000 -0.00000 108 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 110 10 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 111 2S -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 112 11 H 1S -0.00000 0.00000 0.00010 0.00000 -0.00000 113 2S 0.00006 0.00009 0.00038 0.00000 0.00000 114 12 H 1S 0.00594 -0.00082 0.00226 0.00000 0.00000 115 2S 0.00484 -0.00066 0.00045 0.00000 0.00000 116 13 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 117 2S 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 120 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 121 3S 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PX -0.00003 0.00002 -0.00000 -0.00000 -0.00000 123 3PY 0.00000 -0.00000 -0.00001 -0.00000 0.00000 124 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 125 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 126 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 127 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 128 4XY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 129 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 130 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 131 14 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 132 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 133 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 134 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 135 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 136 3S -0.00006 0.00001 -0.00002 -0.00000 -0.00000 137 3PX -0.00012 0.00001 -0.00005 -0.00000 -0.00000 138 3PY 0.00005 -0.00001 0.00002 0.00000 0.00000 139 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00001 140 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 143 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 145 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 146 15 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 147 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 155 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 156 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 157 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 158 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 159 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 163 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 164 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 165 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 166 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 167 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 168 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 169 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 173 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 178 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 179 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 180 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 182 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 183 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 184 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 185 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 187 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 188 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 189 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 190 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 193 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 195 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 196 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 197 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 198 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 199 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 200 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 201 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 206 19 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 207 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 214 23 H 1S -0.00002 -0.00000 0.00000 0.00000 -0.00000 215 2S -0.00017 -0.00001 -0.00001 -0.00000 -0.00000 216 24 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 217 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 218 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 219 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 220 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 221 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 222 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 224 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 225 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 226 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 227 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 228 4XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 229 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 230 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 233 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 234 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 235 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 236 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 237 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 238 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 239 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 240 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 241 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 242 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 243 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 244 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 245 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 252 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 253 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 254 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 267 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 269 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 278 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 279 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 280 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 281 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 282 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 283 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 284 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 292 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 293 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 294 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 295 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 296 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 297 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 298 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 299 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 300 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 301 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 303 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 304 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 305 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 306 30 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 307 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 314 34 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 315 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 46 47 48 49 50 46 4 C 1S 2.05309 47 2S -0.01402 0.33160 48 2PX 0.00000 0.00000 0.42053 49 2PY 0.00000 0.00000 0.00000 0.43266 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.32817 51 3S -0.03106 0.20752 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.07251 -0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.07803 0.00000 54 3PZ 0.00000 0.00000 -0.00000 0.00000 0.12117 55 4XX -0.00138 -0.00191 0.00000 0.00000 0.00000 56 4YY -0.00158 0.00121 0.00000 0.00000 0.00000 57 4ZZ -0.00090 -0.01136 0.00000 0.00000 0.00000 58 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 60 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00053 -0.00081 -0.00204 -0.00000 62 2S -0.00053 0.01061 0.01276 0.03062 0.00000 63 2PX -0.00078 0.01107 0.00120 0.02735 0.00000 64 2PY -0.00209 0.03200 0.03029 0.04686 0.00000 65 2PZ -0.00000 0.00000 0.00000 0.00000 0.02095 66 3S 0.00030 0.00803 0.00607 0.02453 0.00000 67 3PX -0.00025 0.00779 -0.00015 0.00588 0.00000 68 3PY -0.00103 0.01263 0.01272 0.00458 0.00000 69 3PZ -0.00000 0.00000 0.00000 0.00000 0.02884 70 4XX 0.00001 -0.00032 -0.00046 0.00013 -0.00000 71 4YY -0.00013 0.00171 0.00206 -0.00123 -0.00000 72 4ZZ 0.00000 -0.00036 -0.00017 -0.00059 0.00000 73 4XY -0.00017 0.00188 -0.00001 0.00272 0.00000 74 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00064 75 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00152 76 6 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00013 -0.00000 -0.00050 -0.00000 78 2PX -0.00000 0.00000 -0.00001 0.00000 -0.00000 79 2PY 0.00000 -0.00050 -0.00000 -0.00125 -0.00000 80 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00003 81 3S -0.00002 -0.00107 0.00000 -0.00308 -0.00000 82 3PX -0.00000 0.00000 -0.00003 0.00000 -0.00000 83 3PY 0.00006 -0.00298 0.00000 -0.00361 -0.00000 84 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00090 85 4XX 0.00000 -0.00000 0.00000 -0.00002 -0.00000 86 4YY -0.00000 0.00006 0.00000 0.00032 0.00000 87 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 88 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 89 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 90 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00003 91 7 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00002 -0.00001 -0.00004 -0.00000 93 2PX 0.00000 -0.00002 0.00002 -0.00007 -0.00000 94 2PY 0.00000 -0.00004 -0.00006 -0.00005 0.00000 95 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00005 96 3S 0.00005 -0.00073 0.00008 -0.00211 -0.00000 97 3PX 0.00004 -0.00050 0.00015 -0.00093 -0.00000 98 3PY 0.00004 -0.00017 -0.00030 0.00019 0.00000 99 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00171 100 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 101 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 102 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 103 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 104 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 105 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 106 8 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 107 2S -0.00000 0.00002 0.00001 0.00004 0.00000 108 9 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 109 2S -0.00000 0.00015 0.00003 0.00051 0.00000 110 10 H 1S 0.00000 -0.00018 -0.00050 -0.00021 -0.00000 111 2S 0.00018 -0.00244 -0.00688 -0.00246 -0.00000 112 11 H 1S -0.00207 0.03285 0.02086 0.07951 0.00000 113 2S -0.00128 0.01286 0.01147 0.04551 0.00000 114 12 H 1S 0.00000 -0.00040 -0.00088 -0.00027 -0.00000 115 2S 0.00026 -0.00341 -0.00682 -0.00218 -0.00000 116 13 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 117 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 118 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 119 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 120 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 121 3S -0.00000 0.00000 0.00001 0.00000 0.00000 122 3PX -0.00000 0.00001 0.00003 0.00000 0.00000 123 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 124 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 125 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 126 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 127 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 128 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 129 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 130 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 131 14 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 132 2S -0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 135 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 136 3S -0.00000 0.00000 0.00002 0.00000 0.00000 137 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 138 3PY 0.00000 -0.00001 -0.00004 -0.00000 -0.00000 139 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 140 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 142 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 143 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 144 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 145 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 148 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 149 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 150 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 151 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 152 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 153 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 154 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 159 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 160 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 166 3S -0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 181 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 182 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 183 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 199 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 202 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 204 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 205 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 206 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 213 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 23 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 215 2S -0.00000 -0.00002 -0.00008 -0.00003 -0.00000 216 24 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 218 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 219 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 220 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 221 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 222 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 223 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 224 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 225 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 226 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 227 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 228 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 229 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 230 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 0.00000 0.00000 0.00000 233 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 234 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 235 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 236 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 237 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 238 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 239 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 240 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 241 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 242 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 243 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 252 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 253 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 254 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 267 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 268 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 269 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 280 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 281 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 282 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 283 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 284 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 293 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 294 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 295 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 296 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 297 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 298 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 299 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 300 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 301 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 302 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 303 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 304 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 305 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 306 30 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 307 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 0.00000 0.00000 0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 315 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 51 52 53 54 55 51 3S 0.24394 52 3PX 0.00000 0.04945 53 3PY 0.00000 0.00000 0.04873 54 3PZ 0.00000 -0.00000 0.00000 0.13913 55 4XX -0.00189 0.00000 0.00000 0.00000 0.00112 56 4YY 0.00238 0.00000 0.00000 0.00000 -0.00025 57 4ZZ -0.00710 0.00000 0.00000 0.00000 0.00008 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 61 5 C 1S 0.00033 -0.00043 -0.00090 -0.00000 0.00000 62 2S 0.00826 0.00342 0.01741 0.00000 -0.00029 63 2PX 0.01269 -0.00070 0.00688 0.00000 -0.00046 64 2PY 0.01910 0.01344 0.00401 0.00000 -0.00035 65 2PZ 0.00000 0.00000 0.00000 0.02952 -0.00000 66 3S -0.00792 0.00062 0.01552 0.00000 0.00010 67 3PX 0.00773 0.00026 0.00150 0.00000 -0.00055 68 3PY 0.00488 0.00717 -0.00121 0.00000 -0.00030 69 3PZ 0.00000 0.00000 0.00000 0.04436 -0.00000 70 4XX -0.00148 -0.00060 0.00000 -0.00000 0.00004 71 4YY 0.00247 0.00094 -0.00069 -0.00000 -0.00016 72 4ZZ -0.00053 -0.00006 -0.00047 -0.00000 0.00000 73 4XY 0.00062 -0.00009 0.00011 -0.00000 0.00001 74 4XZ 0.00000 -0.00000 -0.00000 0.00037 0.00000 75 4YZ 0.00000 0.00000 -0.00000 0.00100 -0.00000 76 6 C 1S -0.00002 0.00000 0.00006 0.00000 0.00000 77 2S -0.00107 -0.00000 -0.00298 -0.00000 -0.00000 78 2PX -0.00000 -0.00003 -0.00000 0.00000 -0.00000 79 2PY -0.00308 -0.00000 -0.00361 -0.00000 -0.00002 80 2PZ -0.00000 0.00000 -0.00000 -0.00090 -0.00000 81 3S 0.00147 0.00000 -0.00429 -0.00000 -0.00016 82 3PX -0.00000 0.00036 0.00000 -0.00000 0.00000 83 3PY -0.00429 -0.00000 -0.00360 0.00000 -0.00022 84 3PZ -0.00000 0.00000 0.00000 -0.00402 -0.00000 85 4XX -0.00016 -0.00000 -0.00022 -0.00000 0.00000 86 4YY 0.00052 0.00000 0.00087 -0.00000 -0.00000 87 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 88 4XY 0.00000 -0.00009 0.00000 -0.00000 -0.00000 89 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 90 4YZ 0.00000 -0.00000 0.00000 0.00021 -0.00000 91 7 C 1S 0.00006 0.00003 0.00010 0.00000 -0.00000 92 2S -0.00110 -0.00042 -0.00123 -0.00000 0.00000 93 2PX -0.00072 0.00018 -0.00114 -0.00000 0.00000 94 2PY -0.00183 -0.00082 -0.00102 0.00000 -0.00000 95 2PZ -0.00000 -0.00000 0.00000 -0.00167 -0.00000 96 3S -0.00644 -0.00072 -0.00618 -0.00000 0.00002 97 3PX -0.00268 0.00004 -0.00231 -0.00000 0.00005 98 3PY -0.00387 -0.00131 -0.00024 0.00000 -0.00006 99 3PZ -0.00000 -0.00000 0.00000 -0.00791 -0.00000 100 4XX -0.00001 0.00003 -0.00006 -0.00000 -0.00000 101 4YY 0.00006 -0.00007 0.00011 0.00000 0.00000 102 4ZZ 0.00002 0.00000 0.00002 -0.00000 -0.00000 103 4XY 0.00001 0.00003 -0.00001 -0.00000 -0.00000 104 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 105 4YZ 0.00000 -0.00000 0.00000 0.00001 0.00000 106 8 H 1S 0.00002 0.00000 0.00002 0.00000 -0.00000 107 2S 0.00047 0.00003 0.00055 0.00000 -0.00000 108 9 H 1S 0.00009 0.00004 0.00018 0.00000 0.00000 109 2S 0.00114 0.00031 0.00206 0.00000 0.00000 110 10 H 1S -0.00370 -0.00134 -0.00063 -0.00000 0.00008 111 2S -0.01113 -0.00577 -0.00273 -0.00000 0.00078 112 11 H 1S 0.04178 0.01016 0.03993 0.00000 -0.00101 113 2S 0.02652 0.00758 0.03274 0.00000 -0.00159 114 12 H 1S -0.00425 0.00010 0.00009 0.00000 0.00008 115 2S -0.01012 -0.00229 -0.00048 -0.00000 -0.00004 116 13 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 117 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 118 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 119 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 120 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 121 3S 0.00002 0.00005 -0.00000 -0.00000 0.00000 122 3PX 0.00013 0.00023 0.00000 0.00000 0.00000 123 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 125 4XX 0.00000 0.00000 -0.00000 0.00000 -0.00000 126 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 127 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 128 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 129 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 130 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 131 14 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 132 2S 0.00000 0.00001 0.00000 0.00000 -0.00000 133 2PX 0.00004 0.00008 -0.00000 0.00000 0.00000 134 2PY 0.00001 0.00002 -0.00000 -0.00000 0.00000 135 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 136 3S 0.00019 0.00031 0.00002 0.00000 0.00000 137 3PX 0.00038 0.00041 -0.00002 -0.00000 -0.00000 138 3PY -0.00001 -0.00009 -0.00001 0.00000 -0.00000 139 3PZ -0.00000 -0.00000 0.00000 0.00001 -0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 141 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 142 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 143 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 144 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 145 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 147 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 148 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 149 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 150 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 151 3S -0.00001 -0.00002 -0.00000 -0.00000 -0.00000 152 3PX -0.00001 -0.00002 0.00000 -0.00000 -0.00000 153 3PY -0.00001 -0.00002 -0.00000 0.00000 -0.00000 154 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 155 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 156 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 157 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 160 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 161 16 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 163 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 164 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 165 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 168 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 170 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 171 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 172 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 173 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 174 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 175 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 176 17 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 180 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 181 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 182 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 183 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 184 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 186 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 187 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 191 18 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 193 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 194 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 195 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 198 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 199 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 200 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 201 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 202 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 204 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 205 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 206 19 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 208 20 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 209 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 210 21 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 212 22 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 213 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 214 23 H 1S 0.00014 0.00027 -0.00001 0.00000 0.00000 215 2S 0.00104 0.00102 -0.00014 -0.00000 0.00000 216 24 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 219 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 220 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 221 3S -0.00000 -0.00001 0.00000 0.00000 0.00000 222 3PX -0.00001 -0.00004 0.00000 0.00000 -0.00000 223 3PY -0.00000 -0.00001 0.00000 -0.00000 0.00000 224 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 225 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 226 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 227 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 228 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 229 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 230 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 231 25 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 2S 0.00000 0.00000 0.00000 0.00000 0.00000 233 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 234 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 235 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 236 3S 0.00000 -0.00000 0.00000 0.00000 -0.00000 237 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 238 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 239 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 240 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 241 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 242 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 243 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 244 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 245 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 246 26 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 247 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 248 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 251 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 252 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 253 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 254 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 257 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 261 27 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 262 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 265 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 266 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 267 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 268 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 269 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 270 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 271 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 272 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 273 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 274 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 275 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 276 28 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 277 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 278 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 279 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 280 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 281 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 282 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 283 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 284 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 285 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 286 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 287 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 288 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 289 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 292 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 293 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 294 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 297 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 298 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 301 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 302 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 303 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 304 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 305 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 306 30 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 307 2S -0.00000 -0.00000 0.00001 0.00000 0.00000 308 31 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 309 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 310 32 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 311 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 312 33 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 313 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 315 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 56 57 58 59 60 56 4YY 0.00155 57 4ZZ -0.00001 0.00091 58 4XY 0.00000 -0.00000 0.00156 59 4XZ -0.00000 0.00000 0.00000 0.00050 60 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00036 61 5 C 1S -0.00012 0.00000 -0.00017 -0.00000 -0.00000 62 2S 0.00175 -0.00035 0.00185 0.00000 0.00000 63 2PX 0.00277 -0.00027 -0.00000 -0.00000 0.00000 64 2PY -0.00108 -0.00052 0.00243 0.00000 -0.00000 65 2PZ -0.00000 0.00000 0.00000 0.00034 0.00141 66 3S 0.00102 -0.00059 0.00078 0.00000 0.00000 67 3PX 0.00064 -0.00028 0.00007 0.00000 0.00000 68 3PY -0.00021 -0.00033 0.00014 -0.00000 -0.00000 69 3PZ -0.00000 -0.00000 -0.00000 0.00024 0.00084 70 4XX -0.00024 0.00000 0.00001 0.00000 -0.00000 71 4YY 0.00015 -0.00003 -0.00014 -0.00000 0.00000 72 4ZZ -0.00003 0.00002 -0.00004 -0.00000 -0.00000 73 4XY -0.00015 -0.00003 0.00005 0.00000 -0.00000 74 4XZ -0.00000 0.00000 0.00000 0.00000 0.00005 75 4YZ 0.00000 -0.00000 -0.00000 -0.00007 -0.00001 76 6 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 77 2S 0.00006 -0.00000 -0.00000 -0.00000 0.00000 78 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 79 2PY 0.00032 -0.00000 -0.00000 -0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00003 81 3S 0.00052 0.00000 -0.00000 -0.00000 0.00000 82 3PX -0.00000 -0.00000 -0.00009 -0.00000 0.00000 83 3PY 0.00087 0.00000 -0.00000 -0.00000 0.00000 84 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00021 85 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 86 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 87 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 88 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 89 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 90 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 91 7 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 92 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 93 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 94 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 95 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 96 3S 0.00003 0.00001 0.00000 -0.00000 0.00000 97 3PX -0.00011 0.00001 0.00003 0.00000 -0.00000 98 3PY 0.00010 -0.00001 0.00001 0.00000 0.00000 99 3PZ 0.00000 -0.00000 0.00000 -0.00002 0.00002 100 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 101 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 102 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 103 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 104 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 105 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 106 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 108 9 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 109 2S -0.00003 -0.00000 0.00000 0.00000 -0.00000 110 10 H 1S -0.00003 0.00000 0.00004 0.00000 -0.00000 111 2S -0.00057 0.00007 0.00004 0.00000 -0.00000 112 11 H 1S 0.00423 -0.00071 0.00304 0.00000 0.00000 113 2S 0.00376 -0.00063 0.00058 0.00000 0.00000 114 12 H 1S 0.00000 0.00000 0.00020 0.00000 0.00000 115 2S 0.00023 0.00004 0.00047 0.00000 0.00000 116 13 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 117 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 118 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 119 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 120 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 121 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 122 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 123 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 124 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 125 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 126 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 127 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 128 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 129 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 130 4YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 133 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 134 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 135 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 136 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 137 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 138 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 140 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 141 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 155 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 158 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 159 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 160 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 167 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 169 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 184 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 193 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 194 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 195 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 196 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 199 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 0.00000 0.00000 0.00000 0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 215 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 216 24 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 0.00000 0.00000 0.00000 0.00000 218 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 219 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 220 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 221 3S 0.00000 0.00000 0.00000 0.00000 0.00000 222 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 223 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 225 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 227 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 228 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 229 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 230 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 0.00000 0.00000 0.00000 233 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 234 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 237 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 238 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 239 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 240 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 241 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 242 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 243 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 -0.00000 0.00000 0.00000 -0.00000 252 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 253 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 254 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 267 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 268 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 269 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.00000 0.00000 0.00000 0.00000 0.00000 282 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 283 3PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 284 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 293 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 294 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 295 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 296 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 297 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 298 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 299 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 300 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 301 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 302 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 303 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 304 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 305 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 306 30 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 307 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 0.00000 0.00000 0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 315 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05361 62 2S -0.01468 0.34132 63 2PX 0.00000 0.00000 0.44385 64 2PY 0.00000 0.00000 -0.00000 0.43703 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.29300 66 3S -0.03112 0.21178 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.07693 -0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.07554 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.10484 70 4XX -0.00167 0.00269 0.00000 0.00000 0.00000 71 4YY -0.00128 -0.00357 0.00000 0.00000 0.00000 72 4ZZ -0.00090 -0.01134 0.00000 0.00000 0.00000 73 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 74 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00053 -0.00078 -0.00209 -0.00000 77 2S -0.00053 0.01061 0.01107 0.03200 0.00000 78 2PX -0.00081 0.01276 0.00120 0.03029 0.00000 79 2PY -0.00204 0.03062 0.02735 0.04686 0.00000 80 2PZ -0.00000 0.00000 0.00000 0.00000 0.02095 81 3S 0.00033 0.00826 0.01269 0.01910 0.00000 82 3PX -0.00043 0.00342 -0.00070 0.01344 0.00000 83 3PY -0.00090 0.01741 0.00688 0.00401 0.00000 84 3PZ -0.00000 0.00000 0.00000 0.00000 0.02952 85 4XX 0.00000 -0.00029 -0.00046 -0.00035 -0.00000 86 4YY -0.00012 0.00175 0.00277 -0.00108 -0.00000 87 4ZZ 0.00000 -0.00035 -0.00027 -0.00052 0.00000 88 4XY -0.00017 0.00185 -0.00000 0.00243 0.00000 89 4XZ -0.00000 0.00000 0.00000 0.00000 0.00034 90 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00141 91 7 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00008 -0.00024 -0.00011 -0.00000 93 2PX 0.00000 -0.00036 -0.00070 -0.00031 -0.00000 94 2PY 0.00000 -0.00008 -0.00012 -0.00007 -0.00000 95 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00004 96 3S -0.00005 -0.00027 -0.00293 0.00128 0.00000 97 3PX 0.00012 -0.00309 -0.00601 -0.00112 -0.00000 98 3PY -0.00005 0.00021 0.00220 0.00009 -0.00000 99 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00023 100 4XX -0.00000 0.00000 0.00004 0.00003 0.00000 101 4YY -0.00000 0.00000 0.00001 0.00000 0.00000 102 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 103 4XY -0.00000 0.00002 0.00007 0.00004 0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00003 105 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 106 8 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 107 2S -0.00000 0.00016 0.00036 0.00024 0.00000 108 9 H 1S 0.00000 -0.00019 -0.00001 -0.00077 -0.00000 109 2S 0.00018 -0.00261 -0.00004 -0.00990 -0.00000 110 10 H 1S -0.00208 0.03294 0.10129 0.00000 0.00000 111 2S -0.00107 0.00998 0.05634 -0.00000 0.00000 112 11 H 1S 0.00000 -0.00019 -0.00001 -0.00077 -0.00000 113 2S 0.00018 -0.00261 -0.00004 -0.00990 -0.00000 114 12 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 115 2S -0.00000 0.00016 0.00036 0.00024 0.00000 116 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 118 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 119 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 120 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 121 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 122 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 123 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 124 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 125 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 126 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 127 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 128 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 133 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 134 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 135 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 136 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 137 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 138 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 145 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 151 3S -0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 167 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 169 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 184 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 193 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 195 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 196 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 199 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S -0.00000 0.00000 0.00000 0.00000 0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 215 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 216 24 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 218 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 219 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 220 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 221 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 222 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 223 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 224 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 226 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 227 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 228 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 229 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 235 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 236 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 237 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 238 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 239 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 240 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 241 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 242 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 243 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 254 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 267 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 269 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 281 3S -0.00000 0.00000 0.00000 0.00000 0.00000 282 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 283 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 284 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 293 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 294 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 295 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 296 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 297 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 298 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 299 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 300 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 301 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 302 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 303 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 304 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 305 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 306 30 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 307 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 0.00000 0.00000 0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 0.00000 0.00000 0.00000 0.00000 314 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 315 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 66 67 68 69 70 66 3S 0.22415 67 3PX 0.00000 0.04902 68 3PY 0.00000 0.00000 0.04821 69 3PZ 0.00000 0.00000 0.00000 0.11649 70 4XX 0.00427 0.00000 0.00000 0.00000 0.00193 71 4YY -0.00364 0.00000 0.00000 0.00000 -0.00034 72 4ZZ -0.00708 0.00000 0.00000 0.00000 -0.00005 73 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 76 6 C 1S 0.00030 -0.00025 -0.00103 -0.00000 0.00001 77 2S 0.00803 0.00779 0.01263 0.00000 -0.00032 78 2PX 0.00607 -0.00015 0.01272 0.00000 -0.00046 79 2PY 0.02453 0.00588 0.00458 0.00000 0.00013 80 2PZ 0.00000 0.00000 0.00000 0.02884 0.00000 81 3S -0.00792 0.00773 0.00488 0.00000 -0.00148 82 3PX 0.00062 0.00026 0.00717 0.00000 -0.00060 83 3PY 0.01552 0.00150 -0.00121 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.04436 0.00000 85 4XX 0.00010 -0.00055 -0.00030 -0.00000 0.00004 86 4YY 0.00102 0.00064 -0.00021 -0.00000 -0.00024 87 4ZZ -0.00059 -0.00028 -0.00033 -0.00000 0.00000 88 4XY 0.00078 0.00007 0.00014 -0.00000 0.00001 89 4XZ 0.00000 0.00000 -0.00000 0.00024 0.00000 90 4YZ 0.00000 0.00000 -0.00000 0.00084 -0.00000 91 7 C 1S -0.00007 -0.00012 0.00004 0.00000 -0.00000 92 2S 0.00030 0.00008 -0.00090 -0.00000 0.00003 93 2PX -0.00177 0.00040 -0.00295 -0.00000 0.00015 94 2PY -0.00147 -0.00037 -0.00039 0.00000 0.00002 95 2PZ -0.00000 -0.00000 0.00000 0.00014 0.00000 96 3S 0.00408 -0.00097 0.00120 0.00000 0.00028 97 3PX -0.00381 -0.00176 -0.00331 -0.00000 0.00068 98 3PY -0.00173 0.00187 0.00017 0.00000 -0.00002 99 3PZ -0.00000 0.00000 0.00000 -0.00040 -0.00000 100 4XX -0.00003 0.00018 -0.00006 -0.00000 0.00000 101 4YY 0.00007 0.00000 0.00013 0.00000 -0.00000 102 4ZZ -0.00001 -0.00004 -0.00001 0.00000 -0.00000 103 4XY 0.00015 0.00010 0.00004 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00023 0.00000 105 4YZ 0.00000 -0.00000 0.00000 -0.00003 -0.00000 106 8 H 1S 0.00013 0.00003 0.00033 0.00000 -0.00000 107 2S 0.00111 0.00077 0.00229 0.00000 -0.00002 108 9 H 1S -0.00319 -0.00001 -0.00272 -0.00000 -0.00001 109 2S -0.00934 -0.00009 -0.01043 -0.00000 -0.00031 110 10 H 1S 0.04436 0.04824 0.00000 0.00000 0.00749 111 2S 0.02565 0.03652 0.00000 0.00000 0.00574 112 11 H 1S -0.00319 -0.00001 -0.00272 -0.00000 -0.00001 113 2S -0.00934 -0.00009 -0.01043 -0.00000 -0.00031 114 12 H 1S 0.00013 0.00003 0.00033 0.00000 -0.00000 115 2S 0.00111 0.00077 0.00229 0.00000 -0.00002 116 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 118 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 119 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 120 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 121 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 122 3PX -0.00000 -0.00000 -0.00001 -0.00000 0.00000 123 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 124 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 125 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 126 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 127 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 128 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 133 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 134 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 135 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 136 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 137 3PX -0.00001 -0.00001 -0.00000 -0.00000 0.00000 138 3PY 0.00000 -0.00001 0.00001 0.00000 -0.00000 139 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 140 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 141 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 142 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 144 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 145 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 146 15 C 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 147 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 148 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 149 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 154 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 155 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 157 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 158 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 159 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 163 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 166 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 167 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 168 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 169 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 170 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 171 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 178 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 179 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 180 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 183 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 184 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 185 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 187 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 190 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 192 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 195 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 196 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 197 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 199 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 201 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 202 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 203 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 204 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 207 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 208 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 209 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 214 23 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 215 2S -0.00002 -0.00005 0.00002 0.00000 0.00000 216 24 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 217 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 218 2PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 219 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 220 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 221 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 222 3PX -0.00000 -0.00000 -0.00001 -0.00000 0.00000 223 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 224 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 225 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 226 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 227 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 228 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 229 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 231 25 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 232 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 233 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 234 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 235 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 236 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 237 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 238 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 241 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 242 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 243 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 244 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 249 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 250 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 253 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 254 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 255 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 257 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 260 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 262 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 263 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 266 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 267 3PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 268 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 269 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 270 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 271 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 276 28 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 278 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 279 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 281 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 282 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 283 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 284 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 285 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 287 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 288 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 289 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 293 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 294 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 295 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 296 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 297 3PX -0.00001 -0.00001 -0.00000 -0.00000 0.00000 298 3PY 0.00000 -0.00001 0.00001 0.00000 -0.00000 299 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 300 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 301 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 302 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 303 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 304 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 305 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 306 30 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 307 2S -0.00002 -0.00005 0.00002 0.00000 0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 312 33 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 313 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 314 34 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 315 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 71 72 73 74 75 71 4YY 0.00129 72 4ZZ 0.00012 0.00089 73 4XY -0.00000 -0.00000 0.00120 74 4XZ -0.00000 0.00000 0.00000 0.00035 75 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00070 76 6 C 1S -0.00013 0.00000 -0.00017 -0.00000 -0.00000 77 2S 0.00171 -0.00036 0.00188 0.00000 0.00000 78 2PX 0.00206 -0.00017 -0.00001 0.00000 0.00000 79 2PY -0.00123 -0.00059 0.00272 0.00000 -0.00000 80 2PZ -0.00000 0.00000 0.00000 0.00064 0.00152 81 3S 0.00247 -0.00053 0.00062 0.00000 0.00000 82 3PX 0.00094 -0.00006 -0.00009 -0.00000 0.00000 83 3PY -0.00069 -0.00047 0.00011 -0.00000 -0.00000 84 3PZ -0.00000 -0.00000 -0.00000 0.00037 0.00100 85 4XX -0.00016 0.00000 0.00001 0.00000 -0.00000 86 4YY 0.00015 -0.00003 -0.00015 -0.00000 0.00000 87 4ZZ -0.00003 0.00002 -0.00003 0.00000 -0.00000 88 4XY -0.00014 -0.00004 0.00005 0.00000 -0.00000 89 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00007 90 4YZ 0.00000 0.00000 -0.00000 0.00005 -0.00001 91 7 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 92 2S -0.00001 0.00000 0.00001 0.00000 -0.00000 93 2PX -0.00002 -0.00000 0.00008 0.00000 -0.00000 94 2PY 0.00000 -0.00000 0.00001 -0.00000 -0.00000 95 2PZ -0.00000 0.00000 -0.00000 0.00001 0.00001 96 3S -0.00013 -0.00001 0.00012 0.00000 -0.00000 97 3PX -0.00021 0.00001 0.00010 0.00000 -0.00000 98 3PY 0.00002 -0.00002 0.00002 -0.00000 -0.00000 99 3PZ -0.00000 -0.00000 -0.00000 0.00006 0.00015 100 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 102 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 103 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 106 8 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 2S 0.00000 -0.00000 -0.00001 -0.00000 0.00000 108 9 H 1S 0.00013 0.00000 -0.00001 -0.00000 0.00000 109 2S 0.00070 0.00007 -0.00007 -0.00000 0.00000 110 10 H 1S -0.00124 -0.00072 -0.00000 0.00000 -0.00000 111 2S -0.00286 -0.00064 0.00000 0.00000 -0.00000 112 11 H 1S 0.00013 0.00000 -0.00001 -0.00000 0.00000 113 2S 0.00070 0.00007 -0.00007 -0.00000 0.00000 114 12 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 115 2S 0.00000 -0.00000 -0.00001 -0.00000 0.00000 116 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 120 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 121 3S 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 124 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 125 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 126 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 127 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 128 4XY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 129 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 130 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 133 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 134 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 135 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 136 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 137 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 138 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 139 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 140 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 141 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 142 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 143 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 144 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 145 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 152 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 153 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 154 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 167 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 169 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 182 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 184 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 197 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 198 3PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 199 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 214 23 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 215 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 216 24 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 0.00000 0.00000 0.00000 0.00000 218 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 219 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 220 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 221 3S 0.00000 0.00000 0.00000 0.00000 0.00000 222 3PX 0.00000 0.00000 0.00000 -0.00000 0.00000 223 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 224 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 225 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 226 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 227 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 4XY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 229 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 230 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 0.00000 0.00000 0.00000 233 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 234 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 235 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 237 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 238 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 239 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 240 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 241 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 242 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 243 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 252 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 254 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 267 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 268 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 269 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 282 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 283 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 284 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 293 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 294 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 295 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 296 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 297 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 298 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 299 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 300 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 301 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 302 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 303 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 304 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 305 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 306 30 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 307 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 315 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 76 77 78 79 80 76 6 C 1S 2.05309 77 2S -0.01402 0.33160 78 2PX 0.00000 0.00000 0.42053 79 2PY 0.00000 0.00000 -0.00000 0.43266 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.32817 81 3S -0.03106 0.20752 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.07251 0.00000 0.00000 83 3PY 0.00000 0.00000 -0.00000 0.07803 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.12117 85 4XX -0.00138 -0.00191 0.00000 0.00000 0.00000 86 4YY -0.00158 0.00121 0.00000 0.00000 0.00000 87 4ZZ -0.00090 -0.01136 0.00000 0.00000 0.00000 88 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 89 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 -0.00056 -0.00291 -0.00000 -0.00000 92 2S -0.00056 0.01132 0.04415 0.00002 0.00000 93 2PX -0.00290 0.04254 0.10189 0.00002 0.00000 94 2PY 0.00000 -0.00004 -0.00010 0.00161 0.00000 95 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.02398 96 3S 0.00071 0.00534 0.02461 0.00014 0.00000 97 3PX -0.00168 0.02354 0.01794 -0.00008 -0.00000 98 3PY 0.00000 -0.00009 -0.00000 0.00740 0.00000 99 3PZ 0.00000 -0.00000 0.00000 0.00000 0.03611 100 4XX -0.00028 0.00368 0.00179 0.00000 0.00000 101 4YY 0.00000 -0.00059 -0.00143 0.00000 -0.00000 102 4ZZ 0.00000 -0.00035 -0.00078 -0.00000 0.00000 103 4XY -0.00000 0.00000 -0.00001 0.00229 0.00000 104 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00213 105 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 106 8 H 1S 0.00000 -0.00040 -0.00088 -0.00027 -0.00000 107 2S 0.00026 -0.00341 -0.00682 -0.00218 -0.00000 108 9 H 1S -0.00207 0.03285 0.02086 0.07951 0.00000 109 2S -0.00128 0.01286 0.01147 0.04551 0.00000 110 10 H 1S 0.00000 -0.00018 -0.00050 -0.00021 -0.00000 111 2S 0.00018 -0.00244 -0.00688 -0.00246 -0.00000 112 11 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 113 2S -0.00000 0.00015 0.00003 0.00051 0.00000 114 12 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 115 2S -0.00000 0.00002 0.00001 0.00004 0.00000 116 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 118 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 119 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 120 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 121 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 122 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 123 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 124 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 125 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 127 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 128 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 130 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 133 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 134 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 135 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 136 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 137 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 138 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 139 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 140 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 141 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 142 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 143 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 145 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 150 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 151 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 152 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 153 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 154 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 167 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 168 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 169 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 182 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 183 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 184 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 195 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 196 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 197 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 198 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 199 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S -0.00000 0.00000 0.00000 0.00000 0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 215 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 216 24 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 217 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 219 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 220 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 221 3S -0.00000 0.00000 0.00001 0.00000 -0.00000 222 3PX -0.00000 0.00001 0.00003 0.00000 -0.00000 223 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 224 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 225 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 226 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 227 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 229 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 230 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 233 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 234 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 235 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 236 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 237 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 238 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 241 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 242 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 243 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 244 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 245 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 250 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 251 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 252 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 253 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 254 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 265 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 266 3S -0.00000 0.00000 0.00000 0.00000 0.00000 267 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 268 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 269 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 278 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 279 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 280 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 281 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 282 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 283 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 284 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 289 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 290 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 291 29 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 292 2S -0.00000 0.00000 0.00000 0.00000 0.00000 293 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 294 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 295 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 296 3S -0.00000 0.00000 0.00002 0.00000 0.00000 297 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 298 3PY 0.00000 -0.00001 -0.00004 -0.00000 0.00000 299 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 300 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 301 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 302 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 303 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 304 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 305 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 306 30 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 307 2S -0.00000 -0.00002 -0.00008 -0.00003 -0.00000 308 31 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 309 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 0.00000 0.00000 0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 315 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 81 82 83 84 85 81 3S 0.24394 82 3PX 0.00000 0.04945 83 3PY 0.00000 -0.00000 0.04873 84 3PZ 0.00000 0.00000 0.00000 0.13913 85 4XX -0.00189 0.00000 0.00000 0.00000 0.00112 86 4YY 0.00238 0.00000 0.00000 0.00000 -0.00025 87 4ZZ -0.00710 0.00000 0.00000 0.00000 0.00008 88 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 90 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 91 7 C 1S 0.00045 -0.00162 0.00001 0.00000 -0.00029 92 2S 0.00605 0.02251 0.00001 0.00000 0.00381 93 2PX 0.03312 0.01714 -0.00002 -0.00000 0.00265 94 2PY -0.00008 0.00004 0.00435 0.00000 0.00001 95 2PZ -0.00000 0.00000 0.00000 0.03399 0.00000 96 3S -0.02090 0.00558 0.00011 0.00000 0.00358 97 3PX 0.00981 0.00144 -0.00006 -0.00000 0.00086 98 3PY -0.00013 0.00001 0.00607 0.00000 0.00001 99 3PZ -0.00000 0.00000 0.00000 0.05591 0.00000 100 4XX 0.00373 0.00051 -0.00000 -0.00000 -0.00005 101 4YY -0.00217 -0.00155 -0.00000 -0.00000 -0.00000 102 4ZZ -0.00044 -0.00062 -0.00000 -0.00000 -0.00007 103 4XY 0.00000 -0.00000 0.00059 0.00000 -0.00000 104 4XZ 0.00000 -0.00000 0.00000 0.00137 -0.00000 105 4YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 106 8 H 1S -0.00425 0.00010 0.00009 0.00000 0.00008 107 2S -0.01012 -0.00229 -0.00048 -0.00000 -0.00004 108 9 H 1S 0.04178 0.01016 0.03993 0.00000 -0.00101 109 2S 0.02652 0.00758 0.03274 0.00000 -0.00159 110 10 H 1S -0.00370 -0.00134 -0.00063 -0.00000 0.00008 111 2S -0.01113 -0.00577 -0.00273 -0.00000 0.00078 112 11 H 1S 0.00009 0.00004 0.00018 0.00000 0.00000 113 2S 0.00114 0.00031 0.00206 0.00000 0.00000 114 12 H 1S 0.00002 0.00000 0.00002 0.00000 -0.00000 115 2S 0.00047 0.00003 0.00055 0.00000 -0.00000 116 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 118 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 120 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 121 3S -0.00000 -0.00001 0.00000 0.00000 0.00000 122 3PX -0.00001 -0.00004 0.00000 -0.00000 -0.00000 123 3PY -0.00000 -0.00001 0.00000 -0.00000 0.00000 124 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 125 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 126 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 127 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 128 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 129 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 130 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 131 14 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 132 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 133 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 137 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 138 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 141 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 142 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 143 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 144 4XZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 145 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 146 15 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 147 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 148 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 149 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 150 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 151 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 152 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 153 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 154 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 155 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 156 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 157 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 158 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 159 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 161 16 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 162 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 165 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 166 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 169 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 170 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 171 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 172 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 173 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 174 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 175 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 176 17 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 177 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 178 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 181 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 182 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 183 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 184 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 187 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 191 18 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 194 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 195 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 196 3S 0.00000 -0.00000 0.00000 0.00000 -0.00000 197 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 199 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 200 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 201 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 202 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 203 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 204 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 205 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 207 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 208 20 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 209 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 210 21 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 211 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 212 22 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 213 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 214 23 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 215 2S -0.00000 -0.00000 0.00001 0.00000 0.00000 216 24 C 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 217 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 219 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 220 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 221 3S 0.00002 0.00005 -0.00000 0.00000 0.00000 222 3PX 0.00013 0.00023 0.00000 -0.00000 0.00000 223 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 225 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 226 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 227 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 228 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 229 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 230 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 231 25 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 233 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 234 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 235 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 236 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 237 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 238 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 241 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 242 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 243 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 244 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 245 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 246 26 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 250 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 251 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 252 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 256 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 257 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 261 27 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 263 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 264 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 265 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 266 3S 0.00000 0.00000 0.00000 0.00000 0.00000 267 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 268 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 269 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 270 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 271 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 272 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 273 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 274 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 275 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 277 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 278 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 279 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 280 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 281 3S -0.00001 -0.00002 -0.00000 -0.00000 -0.00000 282 3PX -0.00001 -0.00002 0.00000 0.00000 -0.00000 283 3PY -0.00001 -0.00002 -0.00000 0.00000 -0.00000 284 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 285 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 286 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 287 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 290 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 291 29 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 292 2S 0.00000 0.00001 0.00000 0.00000 -0.00000 293 2PX 0.00004 0.00008 -0.00000 -0.00000 0.00000 294 2PY 0.00001 0.00002 -0.00000 -0.00000 0.00000 295 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 296 3S 0.00019 0.00031 0.00002 0.00000 0.00000 297 3PX 0.00038 0.00041 -0.00002 -0.00000 -0.00000 298 3PY -0.00001 -0.00009 -0.00001 0.00000 -0.00000 299 3PZ -0.00000 -0.00000 0.00000 0.00001 -0.00000 300 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 301 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 302 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 303 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 304 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 305 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 306 30 H 1S 0.00014 0.00027 -0.00001 -0.00000 0.00000 307 2S 0.00104 0.00102 -0.00014 -0.00000 0.00000 308 31 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 310 32 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 312 33 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 313 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 315 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 86 87 88 89 90 86 4YY 0.00155 87 4ZZ -0.00001 0.00091 88 4XY -0.00000 0.00000 0.00156 89 4XZ 0.00000 -0.00000 0.00000 0.00050 90 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00036 91 7 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 92 2S -0.00065 -0.00035 -0.00000 0.00000 -0.00000 93 2PX -0.00162 -0.00086 0.00002 0.00000 -0.00000 94 2PY -0.00000 0.00000 0.00239 0.00000 0.00000 95 2PZ -0.00000 0.00000 0.00000 0.00187 0.00000 96 3S -0.00201 -0.00041 -0.00000 -0.00000 -0.00000 97 3PX -0.00185 -0.00066 0.00000 0.00000 -0.00000 98 3PY -0.00000 0.00000 0.00062 0.00000 0.00000 99 3PZ -0.00000 -0.00000 0.00000 0.00123 0.00000 100 4XX -0.00001 -0.00007 0.00000 0.00000 -0.00000 101 4YY 0.00003 0.00001 0.00000 -0.00000 0.00000 102 4ZZ 0.00001 0.00002 0.00000 -0.00000 0.00000 103 4XY -0.00000 -0.00000 -0.00034 -0.00000 -0.00000 104 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 106 8 H 1S 0.00000 0.00000 0.00020 0.00000 0.00000 107 2S 0.00023 0.00004 0.00047 0.00000 0.00000 108 9 H 1S 0.00423 -0.00071 0.00304 0.00000 0.00000 109 2S 0.00376 -0.00063 0.00058 0.00000 0.00000 110 10 H 1S -0.00003 0.00000 0.00004 0.00000 -0.00000 111 2S -0.00057 0.00007 0.00004 0.00000 -0.00000 112 11 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 113 2S -0.00003 -0.00000 0.00000 0.00000 -0.00000 114 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 116 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 121 3S 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 123 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 125 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 126 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 127 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 128 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 129 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 130 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 133 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 134 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 135 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 136 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 137 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 138 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 139 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 140 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 141 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 142 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 144 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 145 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 154 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 167 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 168 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 169 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 -0.00000 0.00000 0.00000 -0.00000 182 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 183 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 184 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 197 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 198 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 199 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 215 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 216 24 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 217 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 218 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 219 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 220 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 221 3S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 222 3PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 223 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 224 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 225 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 226 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 227 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 228 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 229 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 230 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 233 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 234 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 235 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 236 3S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 237 3PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 238 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 239 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 240 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 241 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 242 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 243 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 254 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 267 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 269 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S -0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.00000 0.00000 0.00000 0.00000 0.00000 282 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 283 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 284 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 285 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 288 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 289 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 290 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 293 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 294 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 295 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 296 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 297 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 298 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 299 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 300 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 301 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 303 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 304 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 306 30 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 307 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 308 31 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 0.00000 0.00000 0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S 0.00000 0.00000 0.00000 0.00000 0.00000 314 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 315 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 91 92 93 94 95 91 7 C 1S 2.05345 92 2S -0.01436 0.33572 93 2PX 0.00000 0.00000 0.43300 94 2PY 0.00000 0.00000 0.00000 0.43672 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.31455 96 3S -0.03280 0.22693 0.00000 0.00000 0.00000 97 3PX 0.00000 0.00000 0.08147 -0.00000 -0.00000 98 3PY 0.00000 0.00000 0.00000 0.08036 0.00000 99 3PZ 0.00000 0.00000 -0.00000 0.00000 0.12076 100 4XX -0.00137 -0.00180 0.00000 0.00000 0.00000 101 4YY -0.00160 0.00182 0.00000 0.00000 0.00000 102 4ZZ -0.00089 -0.01155 0.00000 0.00000 0.00000 103 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 105 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 106 8 H 1S -0.00235 0.03525 0.01597 0.09525 0.00000 107 2S -0.00042 0.00818 0.00655 0.05395 0.00000 108 9 H 1S 0.00000 -0.00026 -0.00058 -0.00015 -0.00000 109 2S 0.00026 -0.00377 -0.00693 -0.00188 -0.00000 110 10 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 111 2S -0.00000 0.00011 0.00045 0.00004 0.00000 112 11 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 113 2S 0.00000 -0.00000 0.00001 -0.00001 -0.00000 114 12 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 115 2S -0.00001 0.00021 0.00003 0.00074 0.00000 116 13 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 117 2S -0.00000 0.00000 0.00000 0.00000 0.00000 118 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 119 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 120 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 121 3S -0.00000 0.00001 0.00005 0.00003 0.00000 122 3PX 0.00000 -0.00001 0.00011 0.00001 0.00000 123 3PY -0.00000 0.00002 0.00009 0.00003 0.00000 124 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00001 125 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 126 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 127 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 128 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 129 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 130 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 133 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 134 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 136 3S 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 138 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 139 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 140 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 141 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 143 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 150 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 151 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 152 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 153 3PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 154 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 155 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 156 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 157 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 158 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 159 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 165 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 166 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 167 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 169 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 180 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 181 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 182 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 183 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 184 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 193 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 195 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 196 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 197 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 198 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 199 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 200 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 206 19 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 207 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 215 2S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 216 24 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 217 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 218 2PX 0.00000 -0.00000 -0.00001 0.00000 -0.00000 219 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 220 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 221 3S 0.00000 -0.00008 -0.00084 0.00001 -0.00000 222 3PX 0.00001 -0.00040 -0.00262 -0.00000 -0.00000 223 3PY -0.00000 0.00000 -0.00005 -0.00011 -0.00000 224 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00016 225 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 227 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 228 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 229 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 230 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 235 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 236 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 237 3PX 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 238 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 239 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 240 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 241 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 242 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 243 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 244 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 248 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 250 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 251 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 252 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 253 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 254 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 255 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 258 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 259 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 264 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 265 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 266 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 267 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 269 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 2S -0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.00000 0.00000 0.00003 0.00001 0.00000 282 3PX -0.00000 0.00000 0.00002 0.00001 0.00000 283 3PY -0.00000 0.00000 0.00004 0.00002 0.00000 284 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 285 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 286 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 288 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 289 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 290 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 293 2PX 0.00000 -0.00003 -0.00007 -0.00007 -0.00000 294 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 295 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 296 3S 0.00001 -0.00022 -0.00122 -0.00067 -0.00000 297 3PX 0.00005 -0.00085 -0.00061 -0.00163 -0.00000 298 3PY -0.00002 0.00038 0.00228 0.00029 -0.00000 299 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00006 300 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 301 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 302 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 303 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 304 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 306 30 H 1S 0.00000 -0.00009 -0.00013 -0.00019 -0.00000 307 2S 0.00002 -0.00107 0.00037 -0.00159 -0.00000 308 31 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 0.00000 0.00000 0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 313 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 315 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 96 97 98 99 100 96 3S 0.29448 97 3PX 0.00000 0.07236 98 3PY 0.00000 0.00000 0.05959 99 3PZ 0.00000 0.00000 0.00000 0.14447 100 4XX -0.00203 0.00000 0.00000 0.00000 0.00103 101 4YY 0.00292 0.00000 0.00000 0.00000 -0.00026 102 4ZZ -0.00778 0.00000 0.00000 0.00000 0.00008 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 106 8 H 1S 0.03662 0.01104 0.03929 0.00000 -0.00134 107 2S 0.00065 0.00728 0.03106 0.00000 -0.00231 108 9 H 1S -0.00475 -0.00028 0.00010 0.00000 0.00005 109 2S -0.01359 -0.00516 -0.00079 -0.00000 0.00005 110 10 H 1S 0.00008 0.00029 -0.00004 -0.00000 -0.00000 111 2S 0.00095 0.00298 -0.00021 -0.00000 -0.00000 112 11 H 1S 0.00001 0.00000 0.00000 0.00000 0.00000 113 2S 0.00024 0.00008 0.00008 0.00000 -0.00000 114 12 H 1S 0.00008 0.00003 0.00002 0.00000 0.00000 115 2S 0.00167 0.00026 0.00180 0.00000 0.00001 116 13 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 117 2S 0.00001 0.00001 0.00002 0.00000 -0.00000 118 2PX 0.00002 0.00006 0.00002 0.00000 -0.00000 119 2PY 0.00003 0.00002 0.00004 0.00000 -0.00000 120 2PZ 0.00000 0.00000 0.00000 -0.00001 -0.00000 121 3S 0.00044 0.00077 0.00040 0.00000 -0.00000 122 3PX 0.00027 0.00084 0.00017 0.00000 -0.00000 123 3PY 0.00032 0.00095 0.00026 0.00000 -0.00000 124 3PZ 0.00000 0.00000 0.00000 -0.00018 -0.00000 125 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 126 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 127 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 128 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 133 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 134 2PY -0.00000 0.00000 -0.00001 -0.00000 -0.00000 135 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 136 3S -0.00003 -0.00000 -0.00004 -0.00000 -0.00000 137 3PX -0.00002 -0.00007 -0.00004 -0.00000 -0.00000 138 3PY -0.00006 -0.00003 -0.00010 0.00000 -0.00000 139 3PZ -0.00000 -0.00000 0.00000 -0.00003 -0.00000 140 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 145 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 146 15 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 151 3S 0.00000 -0.00000 0.00000 0.00000 -0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 153 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 154 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 155 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 158 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 159 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 163 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 164 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 165 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 166 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 167 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 169 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 172 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 177 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 178 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 179 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 180 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 181 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 182 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 183 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 184 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 185 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 188 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 189 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 193 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 194 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 196 3S -0.00001 -0.00000 -0.00000 -0.00000 0.00000 197 3PX -0.00001 -0.00002 -0.00001 -0.00000 0.00000 198 3PY 0.00000 -0.00002 0.00000 0.00000 0.00000 199 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 200 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 204 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 205 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 206 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 208 20 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 209 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 215 2S -0.00011 -0.00007 -0.00016 -0.00000 -0.00000 216 24 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 217 2S -0.00006 -0.00008 0.00001 0.00000 -0.00000 218 2PX -0.00029 0.00046 0.00003 0.00000 -0.00000 219 2PY -0.00001 -0.00008 -0.00001 -0.00000 -0.00000 220 2PZ -0.00000 -0.00000 -0.00000 -0.00010 0.00000 221 3S -0.00167 -0.00390 0.00009 -0.00000 -0.00001 222 3PX -0.00351 -0.00644 0.00013 0.00000 0.00008 223 3PY -0.00010 -0.00010 -0.00037 -0.00000 -0.00000 224 3PZ 0.00000 -0.00000 -0.00000 -0.00071 -0.00000 225 4XX -0.00004 0.00002 -0.00000 -0.00000 0.00000 226 4YY 0.00001 -0.00001 0.00000 0.00000 -0.00000 227 4ZZ 0.00000 0.00001 -0.00000 -0.00000 -0.00000 228 4XY 0.00000 -0.00001 -0.00002 -0.00000 0.00000 229 4XZ 0.00000 -0.00000 -0.00000 0.00001 -0.00000 230 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 231 25 C 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 232 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 233 2PX 0.00000 -0.00001 -0.00000 -0.00000 0.00000 234 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 235 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 236 3S -0.00003 -0.00009 -0.00000 0.00000 0.00000 237 3PX -0.00004 -0.00024 -0.00001 -0.00000 0.00000 238 3PY 0.00000 -0.00001 0.00001 -0.00000 0.00000 239 3PZ 0.00000 -0.00000 -0.00000 -0.00003 0.00000 240 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 241 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 242 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 243 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 244 4XZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 245 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 246 26 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 247 2S -0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 249 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 250 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 251 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 252 3PX 0.00000 0.00001 -0.00000 -0.00000 -0.00000 253 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 254 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 255 4XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 256 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 257 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 261 27 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 262 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 263 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 264 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 265 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 266 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 267 3PX -0.00001 0.00002 -0.00001 -0.00000 0.00000 268 3PY 0.00000 -0.00002 0.00000 -0.00000 0.00000 269 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 270 4XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 271 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 272 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 273 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 274 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 275 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 276 28 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 277 2S 0.00000 -0.00001 0.00001 0.00000 -0.00000 278 2PX 0.00001 -0.00004 0.00003 0.00000 -0.00000 279 2PY 0.00001 -0.00003 0.00002 0.00000 -0.00000 280 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 281 3S 0.00019 0.00014 0.00023 0.00000 -0.00000 282 3PX 0.00016 -0.00013 0.00020 0.00000 -0.00000 283 3PY 0.00016 0.00009 0.00014 0.00000 -0.00000 284 3PZ 0.00000 0.00000 0.00000 0.00001 -0.00000 285 4XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 286 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 287 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 288 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 289 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 290 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 291 29 C 1S 0.00001 -0.00000 0.00003 0.00000 -0.00000 292 2S -0.00022 0.00014 -0.00061 -0.00000 0.00000 293 2PX -0.00161 0.00134 -0.00241 -0.00000 0.00000 294 2PY -0.00028 0.00151 -0.00010 -0.00000 -0.00000 295 2PZ -0.00000 0.00000 -0.00000 -0.00006 -0.00000 296 3S -0.00183 -0.00031 -0.00271 -0.00000 0.00004 297 3PX -0.00423 0.00211 -0.00515 -0.00000 0.00006 298 3PY 0.00120 0.00736 0.00005 0.00000 -0.00009 299 3PZ 0.00000 0.00000 -0.00000 0.00029 -0.00000 300 4XX -0.00009 0.00007 -0.00016 -0.00000 0.00000 301 4YY 0.00002 -0.00006 0.00004 0.00000 -0.00000 302 4ZZ 0.00001 -0.00002 0.00001 0.00000 -0.00000 303 4XY 0.00003 -0.00004 0.00002 0.00000 -0.00000 304 4XZ 0.00000 -0.00000 0.00000 0.00001 -0.00000 305 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 306 30 H 1S -0.00275 0.00309 -0.00498 -0.00000 0.00000 307 2S -0.00605 0.00633 -0.00846 -0.00000 0.00002 308 31 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 309 2S 0.00002 0.00002 0.00005 0.00000 -0.00000 310 32 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 312 33 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 313 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 314 34 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 315 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 101 102 103 104 105 101 4YY 0.00171 102 4ZZ -0.00003 0.00094 103 4XY 0.00000 -0.00000 0.00129 104 4XZ -0.00000 0.00000 0.00000 0.00067 105 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00030 106 8 H 1S 0.00594 -0.00082 0.00226 0.00000 0.00000 107 2S 0.00484 -0.00066 0.00045 0.00000 0.00000 108 9 H 1S -0.00000 0.00000 0.00010 0.00000 0.00000 109 2S 0.00006 0.00009 0.00038 0.00000 0.00000 110 10 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 111 2S -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 112 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 113 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 114 12 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 115 2S -0.00005 -0.00000 0.00000 0.00000 -0.00000 116 13 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 118 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 119 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 120 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 121 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 122 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 124 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 125 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 126 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 127 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 128 4XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 129 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 130 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 131 14 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 132 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 133 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 134 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 135 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 136 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 137 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 138 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 140 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 141 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 143 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 144 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 145 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 148 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 149 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 150 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 151 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 152 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 153 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 154 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 167 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 169 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 182 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 183 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 184 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 193 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 194 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 196 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 197 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 198 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 200 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 201 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 203 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 204 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 205 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 206 19 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 207 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 214 23 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 215 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 216 24 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 217 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 218 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 219 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 220 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 221 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 222 3PX -0.00003 0.00002 -0.00000 0.00000 -0.00000 223 3PY 0.00000 -0.00000 -0.00001 -0.00000 0.00000 224 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 225 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 226 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 227 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 228 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 229 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 235 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 236 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 237 3PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 238 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 239 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 240 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 241 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 242 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 243 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 248 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 249 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 250 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 251 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 252 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 253 3PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 254 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 255 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 256 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 257 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 258 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 259 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 260 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 263 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 264 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 265 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 266 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 267 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 268 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 269 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 273 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 276 28 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 277 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 282 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 283 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 284 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 285 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 286 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 287 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 288 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 289 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 291 29 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 292 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 293 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 294 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 295 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 296 3S -0.00006 0.00001 -0.00002 -0.00000 -0.00000 297 3PX -0.00012 0.00001 -0.00005 -0.00000 -0.00000 298 3PY 0.00005 -0.00001 0.00002 -0.00000 0.00000 299 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00001 300 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 301 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 303 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 304 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 305 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 306 30 H 1S -0.00002 -0.00000 0.00000 0.00000 -0.00000 307 2S -0.00017 -0.00001 -0.00001 -0.00000 -0.00000 308 31 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 315 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 106 107 108 109 110 106 8 H 1S 0.23200 107 2S 0.10596 0.14120 108 9 H 1S -0.00005 -0.00139 0.21552 109 2S -0.00167 -0.00559 0.09907 0.12096 110 10 H 1S -0.00000 -0.00000 -0.00001 -0.00061 0.21451 111 2S -0.00000 -0.00020 -0.00061 -0.00261 0.09554 112 11 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00001 113 2S 0.00000 0.00001 -0.00000 -0.00018 -0.00061 114 12 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 115 2S -0.00000 -0.00028 0.00000 0.00001 -0.00000 116 13 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 117 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 118 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 119 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 120 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 121 3S 0.00000 -0.00001 0.00000 0.00000 -0.00000 122 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 123 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 124 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 125 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 126 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 127 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 128 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 129 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 130 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 134 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 135 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 136 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 137 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 138 3PY -0.00000 -0.00001 0.00000 0.00000 -0.00000 139 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 140 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 141 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 151 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 152 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 153 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 154 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 157 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 160 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 170 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 173 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 177 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 182 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 183 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 188 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 189 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 193 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 194 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 195 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 196 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 197 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 201 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 202 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 207 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 208 20 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 209 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 210 21 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 212 22 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 213 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 214 23 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 216 24 C 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 217 2S 0.00000 0.00015 -0.00000 -0.00000 -0.00000 218 2PX -0.00000 0.00042 -0.00000 -0.00000 -0.00000 219 2PY -0.00000 -0.00002 0.00000 0.00000 -0.00000 220 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 221 3S -0.00018 0.00033 -0.00000 -0.00000 -0.00000 222 3PX -0.00111 -0.00257 0.00000 0.00001 0.00000 223 3PY -0.00018 -0.00077 -0.00000 0.00000 -0.00000 224 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 225 4XX -0.00000 -0.00003 0.00000 0.00000 0.00000 226 4YY 0.00000 0.00001 -0.00000 -0.00000 0.00000 227 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 228 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 229 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 231 25 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 232 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 233 2PX -0.00000 -0.00001 0.00000 0.00000 0.00000 234 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 235 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 236 3S -0.00000 -0.00011 0.00000 0.00000 0.00000 237 3PX -0.00001 -0.00024 0.00000 0.00000 0.00000 238 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 239 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 240 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 241 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 242 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 243 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 244 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 247 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 248 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 252 3PX 0.00000 0.00001 -0.00000 -0.00000 -0.00000 253 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 254 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 257 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 258 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 259 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 261 27 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 262 2S -0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 266 3S -0.00000 -0.00002 0.00000 0.00000 0.00000 267 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 268 3PY -0.00000 -0.00003 0.00000 -0.00000 0.00000 269 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 271 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 275 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 276 28 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 -0.00002 -0.00000 -0.00000 0.00000 278 2PX 0.00000 -0.00009 -0.00000 -0.00000 0.00000 279 2PY 0.00000 -0.00002 -0.00000 -0.00000 0.00000 280 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 281 3S 0.00014 0.00104 -0.00000 -0.00000 -0.00000 282 3PX 0.00013 0.00029 -0.00000 -0.00000 -0.00000 283 3PY 0.00014 0.00059 -0.00000 -0.00000 -0.00000 284 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 285 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 287 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 289 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 291 29 C 1S 0.00000 0.00002 -0.00000 -0.00000 0.00000 292 2S -0.00009 -0.00107 0.00000 0.00000 0.00000 293 2PX -0.00031 -0.00156 0.00000 0.00000 0.00000 294 2PY -0.00001 0.00034 0.00000 0.00000 -0.00000 295 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 296 3S -0.00275 -0.00605 0.00000 0.00002 0.00000 297 3PX -0.00349 -0.00514 0.00000 0.00006 0.00000 298 3PY 0.00160 0.00302 -0.00000 -0.00000 -0.00000 299 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 300 4XX -0.00002 -0.00017 0.00000 0.00000 0.00000 301 4YY -0.00000 -0.00001 -0.00000 -0.00000 0.00000 302 4ZZ -0.00000 -0.00001 -0.00000 -0.00000 0.00000 303 4XY 0.00001 0.00002 -0.00000 -0.00000 0.00000 304 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 305 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 306 30 H 1S 0.00141 0.00359 0.00000 0.00001 0.00000 307 2S 0.00359 0.00239 -0.00000 0.00010 0.00000 308 31 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 309 2S 0.00001 0.00010 -0.00000 -0.00000 -0.00000 310 32 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 311 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 314 34 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 315 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 111 112 113 114 115 111 2S 0.11572 112 11 H 1S -0.00061 0.21552 113 2S -0.00261 0.09907 0.12096 114 12 H 1S -0.00000 -0.00005 -0.00167 0.23200 115 2S -0.00020 -0.00139 -0.00559 0.10596 0.14120 116 13 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 117 2S -0.00000 -0.00000 -0.00000 0.00000 0.00015 118 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00042 119 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00002 120 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 121 3S -0.00000 -0.00000 -0.00000 -0.00018 0.00033 122 3PX 0.00000 0.00000 0.00001 -0.00111 -0.00257 123 3PY -0.00000 -0.00000 0.00000 -0.00018 -0.00077 124 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 125 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00003 126 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00001 127 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 128 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 129 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 130 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 131 14 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00002 132 2S 0.00000 0.00000 0.00000 -0.00009 -0.00107 133 2PX 0.00000 0.00000 0.00000 -0.00031 -0.00156 134 2PY -0.00000 0.00000 0.00000 -0.00001 0.00034 135 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 136 3S 0.00000 0.00000 0.00002 -0.00275 -0.00605 137 3PX 0.00000 0.00000 0.00006 -0.00349 -0.00514 138 3PY -0.00000 -0.00000 -0.00000 0.00160 0.00302 139 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 -0.00002 -0.00017 141 4YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 142 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 143 4XY -0.00000 -0.00000 -0.00000 0.00001 0.00002 144 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 145 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 146 15 C 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 147 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00002 148 2PX 0.00000 -0.00000 -0.00000 0.00000 -0.00009 149 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00002 150 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 151 3S -0.00000 -0.00000 -0.00000 0.00014 0.00104 152 3PX -0.00000 -0.00000 -0.00000 0.00013 0.00029 153 3PY -0.00000 -0.00000 -0.00000 0.00014 0.00059 154 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 156 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 159 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 160 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 161 16 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 162 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 163 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 166 3S 0.00000 0.00000 0.00000 -0.00000 -0.00002 167 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 168 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00003 169 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 170 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 171 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 172 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 173 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 174 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 175 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 176 17 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 177 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 178 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 179 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 182 3PX -0.00000 -0.00000 -0.00000 0.00000 0.00001 183 3PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 184 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 188 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 189 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 190 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 191 18 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 193 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00001 194 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 195 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 196 3S 0.00000 0.00000 0.00000 -0.00000 -0.00011 197 3PX 0.00000 0.00000 0.00000 -0.00001 -0.00024 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 199 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 201 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 202 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 206 19 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 207 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 210 21 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 211 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 212 22 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 213 2S -0.00000 -0.00000 -0.00000 0.00001 0.00010 214 23 H 1S 0.00000 0.00000 0.00001 0.00141 0.00359 215 2S 0.00000 -0.00000 0.00010 0.00359 0.00239 216 24 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 217 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 218 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 219 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 220 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 3S -0.00000 0.00000 0.00000 0.00000 -0.00001 222 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 223 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 224 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 225 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 226 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 227 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 228 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 229 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 230 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 231 25 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 233 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 234 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 235 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 236 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 237 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 238 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 239 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 240 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 241 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 242 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 243 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 244 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 246 26 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 247 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 248 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 250 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 251 3S -0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 255 4XX 0.00000 0.00000 -0.00000 0.00000 -0.00000 256 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 259 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 260 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 264 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 266 3S 0.00000 0.00000 0.00000 0.00000 0.00000 267 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 268 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 269 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 270 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 271 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 273 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 274 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 275 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 277 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 281 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 282 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 283 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 284 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 288 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 290 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 291 29 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 292 2S 0.00000 0.00000 0.00000 0.00000 0.00000 293 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 294 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 295 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 296 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 297 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 298 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00001 299 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 300 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 301 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 302 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 303 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 304 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 305 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 306 30 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 307 2S 0.00000 0.00000 0.00000 0.00000 0.00000 308 31 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 309 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 310 32 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 311 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 312 33 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 313 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 315 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 116 117 118 119 120 116 13 C 1S 2.05001 117 2S -0.01361 0.33248 118 2PX 0.00000 0.00000 0.41741 119 2PY 0.00000 0.00000 -0.00000 0.39494 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.35424 121 3S -0.03220 0.22348 0.00000 0.00000 0.00000 122 3PX 0.00000 0.00000 0.04931 -0.00000 -0.00000 123 3PY 0.00000 0.00000 0.00000 0.04293 0.00000 124 3PZ 0.00000 0.00000 -0.00000 0.00000 0.12858 125 4XX -0.00134 -0.00202 0.00000 0.00000 0.00000 126 4YY -0.00144 -0.00042 0.00000 0.00000 0.00000 127 4ZZ -0.00087 -0.01100 0.00000 0.00000 0.00000 128 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 129 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00000 -0.00041 -0.00047 -0.00183 -0.00000 132 2S -0.00039 0.00931 0.00797 0.02898 0.00000 133 2PX -0.00036 0.00598 -0.00121 0.01726 0.00000 134 2PY -0.00183 0.03101 0.02183 0.05747 0.00000 135 2PZ -0.00000 0.00000 0.00000 0.00000 0.01628 136 3S -0.00041 0.01239 0.00909 0.03978 0.00000 137 3PX -0.00031 0.00538 0.00286 0.00666 0.00000 138 3PY -0.00052 0.01129 0.01006 0.00995 0.00000 139 3PZ -0.00000 0.00000 0.00000 0.00000 0.02498 140 4XX 0.00000 -0.00028 -0.00009 -0.00068 -0.00000 141 4YY -0.00012 0.00192 0.00155 0.00048 -0.00000 142 4ZZ 0.00000 -0.00030 -0.00012 -0.00064 0.00000 143 4XY -0.00008 0.00112 0.00008 0.00175 0.00000 144 4XZ -0.00000 0.00000 0.00000 0.00000 0.00027 145 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00154 146 15 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 147 2S 0.00000 -0.00004 0.00000 -0.00019 -0.00000 148 2PX 0.00000 -0.00000 0.00001 -0.00000 -0.00000 149 2PY 0.00000 -0.00025 0.00001 -0.00072 -0.00000 150 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00002 151 3S 0.00001 -0.00073 -0.00005 -0.00278 -0.00000 152 3PX 0.00001 -0.00006 0.00000 -0.00013 -0.00000 153 3PY 0.00010 -0.00245 -0.00008 -0.00477 -0.00000 154 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00079 155 4XX 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 156 4YY -0.00000 0.00002 -0.00000 0.00011 0.00000 157 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 158 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 159 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 160 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00001 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 163 2PX 0.00000 -0.00000 0.00001 -0.00002 -0.00000 164 2PY 0.00000 -0.00001 -0.00002 -0.00001 0.00000 165 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00001 166 3S 0.00002 -0.00037 -0.00013 -0.00040 -0.00000 167 3PX 0.00001 -0.00013 0.00015 -0.00038 -0.00000 168 3PY 0.00003 -0.00039 -0.00038 0.00008 0.00000 169 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00081 170 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 171 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 172 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 173 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 174 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 175 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 176 17 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 -0.00004 -0.00015 -0.00003 -0.00000 178 2PX 0.00000 -0.00016 -0.00041 -0.00006 -0.00000 179 2PY 0.00000 -0.00009 -0.00020 -0.00004 -0.00000 180 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 181 3S 0.00001 -0.00073 -0.00144 -0.00139 -0.00000 182 3PX 0.00001 -0.00116 -0.00104 -0.00141 -0.00000 183 3PY 0.00009 -0.00135 -0.00208 -0.00044 -0.00000 184 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00079 185 4XX -0.00000 0.00001 0.00007 -0.00000 0.00000 186 4YY 0.00000 -0.00000 -0.00002 0.00000 -0.00000 187 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 188 4XY -0.00000 0.00000 0.00004 0.00000 -0.00000 189 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 190 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00001 191 18 C 1S 0.00000 -0.00041 -0.00229 -0.00000 -0.00000 192 2S -0.00039 0.00931 0.03704 -0.00009 0.00000 193 2PX -0.00216 0.03654 0.09268 0.00003 0.00000 194 2PY -0.00002 0.00044 0.00126 0.00139 0.00000 195 2PZ -0.00000 0.00000 0.00000 0.00000 0.01628 196 3S -0.00041 0.01239 0.04861 0.00026 0.00000 197 3PX -0.00087 0.01719 0.01940 0.00014 0.00000 198 3PY 0.00004 -0.00052 0.00106 0.00894 0.00000 199 3PZ 0.00000 -0.00000 0.00000 0.00000 0.02498 200 4XX -0.00020 0.00316 0.00218 0.00021 0.00000 201 4YY 0.00000 -0.00044 -0.00117 0.00001 0.00000 202 4ZZ 0.00000 -0.00030 -0.00075 -0.00001 0.00000 203 4XY -0.00000 0.00004 0.00028 0.00157 0.00000 204 4XZ -0.00000 0.00000 0.00000 0.00000 0.00179 205 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00003 206 19 H 1S 0.00000 -0.00014 -0.00063 -0.00006 -0.00000 207 2S 0.00016 -0.00242 -0.01058 -0.00181 -0.00000 208 20 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 209 2S -0.00000 0.00009 0.00033 -0.00000 0.00000 210 21 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 212 22 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00000 0.00009 0.00003 0.00030 0.00000 214 23 H 1S 0.00000 -0.00014 -0.00036 -0.00032 -0.00000 215 2S 0.00016 -0.00242 -0.00791 -0.00448 -0.00000 216 24 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 -0.00002 0.00000 -0.00011 -0.00000 218 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 219 2PY 0.00000 -0.00011 0.00000 -0.00043 -0.00000 220 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00002 221 3S 0.00004 -0.00095 -0.00000 -0.00401 -0.00000 222 3PX 0.00000 0.00000 -0.00003 0.00000 -0.00000 223 3PY 0.00004 -0.00063 -0.00000 -0.00367 -0.00000 224 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00062 225 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 4YY -0.00000 0.00001 -0.00000 0.00004 -0.00000 227 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 228 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 229 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 230 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 231 25 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 232 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 233 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 235 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 236 3S 0.00000 -0.00006 -0.00001 -0.00029 -0.00000 237 3PX 0.00000 -0.00009 0.00006 -0.00024 -0.00000 238 3PY 0.00000 0.00002 0.00060 -0.00002 0.00000 239 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00010 240 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 241 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 242 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 243 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 244 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 245 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 247 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 248 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 250 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 251 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 252 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 254 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 255 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 256 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 258 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 259 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 260 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 263 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 265 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 266 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 267 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 268 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 269 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 270 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 271 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 273 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 274 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 275 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 276 28 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 277 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 278 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 279 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 280 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 281 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 282 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 283 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 284 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 285 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 286 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 288 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 289 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 290 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 291 29 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 292 2S -0.00000 0.00000 0.00000 0.00000 0.00000 293 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 294 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 295 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 296 3S -0.00000 0.00001 0.00000 0.00005 0.00000 297 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 298 3PY -0.00000 0.00003 0.00000 0.00014 0.00000 299 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00001 300 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 301 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 302 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 303 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 304 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 305 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 306 30 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 307 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 0.00000 0.00000 0.00000 0.00000 310 32 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 311 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 312 33 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 313 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 315 2S -0.00001 0.00015 0.00012 0.00028 0.00000 121 122 123 124 125 121 3S 0.32445 122 3PX 0.00000 0.05421 123 3PY 0.00000 -0.00000 0.05185 124 3PZ 0.00000 0.00000 0.00000 0.14580 125 4XX -0.00215 0.00000 0.00000 0.00000 0.00124 126 4YY 0.00028 0.00000 0.00000 0.00000 -0.00026 127 4ZZ -0.00730 0.00000 0.00000 0.00000 0.00008 128 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 129 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 131 14 C 1S 0.00059 -0.00026 -0.00061 -0.00000 0.00001 132 2S 0.00074 0.00146 0.01466 0.00000 -0.00041 133 2PX 0.00539 -0.00417 0.00552 0.00000 -0.00010 134 2PY 0.02555 0.00695 0.00182 0.00000 -0.00072 135 2PZ 0.00000 0.00000 0.00000 0.02449 -0.00000 136 3S 0.00166 0.00093 0.01074 0.00000 -0.00109 137 3PX 0.00622 -0.00130 0.00027 0.00000 -0.00036 138 3PY -0.00310 -0.00105 0.00002 0.00000 -0.00080 139 3PZ -0.00000 -0.00000 0.00000 0.03870 -0.00000 140 4XX -0.00137 -0.00049 -0.00098 -0.00000 0.00003 141 4YY 0.00293 0.00093 0.00020 -0.00000 -0.00011 142 4ZZ -0.00027 0.00001 -0.00036 -0.00000 0.00000 143 4XY 0.00043 0.00001 0.00003 -0.00000 -0.00000 144 4XZ 0.00000 -0.00000 0.00000 0.00017 -0.00000 145 4YZ 0.00000 0.00000 -0.00000 0.00111 -0.00000 146 15 C 1S -0.00000 0.00000 -0.00013 -0.00000 0.00000 147 2S -0.00064 -0.00002 -0.00044 -0.00000 -0.00000 148 2PX 0.00008 0.00089 0.00030 0.00000 0.00000 149 2PY -0.00491 0.00017 0.00012 0.00000 -0.00001 150 2PZ -0.00000 0.00000 0.00000 -0.00076 -0.00000 151 3S -0.00265 -0.00001 0.00054 0.00000 -0.00009 152 3PX 0.00001 0.00079 0.00019 0.00000 -0.00000 153 3PY -0.01174 0.00020 0.00033 0.00000 -0.00013 154 3PZ -0.00000 0.00000 0.00000 -0.00377 -0.00000 155 4XX -0.00008 0.00000 -0.00020 -0.00000 0.00000 156 4YY 0.00024 -0.00002 0.00059 -0.00000 -0.00000 157 4ZZ 0.00003 0.00000 -0.00001 -0.00000 0.00000 158 4XY -0.00001 -0.00012 -0.00000 -0.00000 -0.00000 159 4XZ -0.00000 -0.00000 -0.00000 0.00001 -0.00000 160 4YZ 0.00000 -0.00000 0.00000 0.00012 -0.00000 161 16 C 1S 0.00002 0.00002 0.00006 0.00000 -0.00000 162 2S -0.00052 -0.00029 -0.00088 -0.00000 0.00000 163 2PX -0.00039 0.00035 -0.00130 -0.00000 0.00000 164 2PY -0.00118 -0.00130 -0.00045 0.00000 -0.00000 165 2PZ -0.00000 -0.00000 0.00000 -0.00085 -0.00000 166 3S -0.00285 -0.00084 -0.00253 -0.00000 0.00002 167 3PX -0.00085 0.00040 -0.00269 -0.00000 0.00002 168 3PY -0.00256 -0.00269 -0.00034 0.00000 -0.00003 169 3PZ -0.00000 -0.00000 0.00000 -0.00475 -0.00000 170 4XX 0.00002 0.00002 -0.00005 -0.00000 -0.00000 171 4YY -0.00001 -0.00004 0.00010 0.00000 0.00000 172 4ZZ 0.00001 0.00001 0.00002 0.00000 -0.00000 173 4XY -0.00002 0.00002 0.00002 0.00000 -0.00000 174 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 175 4YZ 0.00000 -0.00000 0.00000 -0.00001 -0.00000 176 17 C 1S -0.00000 -0.00009 -0.00003 -0.00000 -0.00000 177 2S -0.00064 -0.00009 -0.00037 -0.00000 0.00000 178 2PX -0.00451 -0.00373 0.00172 0.00000 0.00002 179 2PY -0.00033 0.00331 0.00019 0.00000 0.00001 180 2PZ -0.00000 0.00000 0.00000 -0.00076 0.00000 181 3S -0.00265 0.00049 0.00004 0.00000 0.00003 182 3PX -0.00868 -0.00228 0.00192 0.00000 0.00012 183 3PY -0.00304 0.00182 0.00005 -0.00000 -0.00000 184 3PZ -0.00000 0.00000 -0.00000 -0.00377 0.00000 185 4XX 0.00024 0.00049 -0.00023 -0.00000 0.00000 186 4YY -0.00014 -0.00026 0.00009 -0.00000 0.00000 187 4ZZ 0.00003 -0.00002 0.00001 -0.00000 -0.00000 188 4XY 0.00005 0.00013 0.00003 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 190 4YZ -0.00000 -0.00000 -0.00000 0.00011 0.00000 191 18 C 1S 0.00059 -0.00089 0.00002 0.00000 -0.00023 192 2S 0.00074 0.01562 0.00050 0.00000 0.00343 193 2PX 0.03068 0.01034 -0.00130 -0.00000 0.00255 194 2PY 0.00026 -0.00092 0.00199 0.00000 0.00011 195 2PZ 0.00000 -0.00000 0.00000 0.02449 0.00000 196 3S 0.00166 0.01128 0.00040 0.00000 0.00431 197 3PX 0.00461 0.00004 0.00018 0.00000 0.00118 198 3PY -0.00150 -0.00018 -0.00209 0.00000 0.00016 199 3PZ -0.00000 -0.00000 0.00000 0.03870 0.00000 200 4XX 0.00349 0.00051 -0.00009 -0.00000 0.00000 201 4YY -0.00157 -0.00126 0.00002 -0.00000 -0.00002 202 4ZZ -0.00027 -0.00033 -0.00002 -0.00000 -0.00006 203 4XY 0.00007 0.00005 0.00046 0.00000 0.00001 204 4XZ 0.00000 0.00000 0.00000 0.00125 0.00000 205 4YZ -0.00000 -0.00000 -0.00000 0.00003 -0.00000 206 19 H 1S -0.00310 -0.00513 -0.00102 -0.00000 0.00003 207 2S -0.01055 -0.01600 -0.00279 -0.00000 -0.00028 208 20 H 1S 0.00011 0.00025 -0.00006 -0.00000 -0.00000 209 2S 0.00123 0.00230 -0.00052 -0.00000 -0.00000 210 21 H 1S 0.00001 0.00000 0.00001 0.00000 -0.00000 211 2S 0.00014 0.00010 0.00029 0.00000 -0.00000 212 22 H 1S 0.00011 0.00004 0.00015 0.00000 -0.00000 213 2S 0.00123 0.00035 0.00143 0.00000 -0.00000 214 23 H 1S -0.00310 -0.00413 -0.00202 -0.00000 0.00005 215 2S -0.01055 -0.01208 -0.00671 -0.00000 0.00075 216 24 C 1S 0.00004 0.00000 0.00004 0.00000 0.00000 217 2S -0.00095 0.00000 -0.00063 -0.00000 -0.00000 218 2PX 0.00000 -0.00003 0.00000 0.00000 -0.00000 219 2PY -0.00401 0.00000 -0.00367 -0.00000 -0.00000 220 2PZ -0.00000 0.00000 -0.00000 -0.00062 -0.00000 221 3S -0.00676 0.00000 -0.00442 -0.00000 -0.00006 222 3PX -0.00000 -0.00080 -0.00000 -0.00000 0.00000 223 3PY -0.00442 0.00000 -0.00215 0.00000 -0.00012 224 3PZ -0.00000 0.00000 0.00000 -0.00314 -0.00000 225 4XX -0.00006 -0.00000 -0.00012 -0.00000 0.00000 226 4YY 0.00017 -0.00000 0.00028 -0.00000 -0.00000 227 4ZZ 0.00002 -0.00000 0.00001 -0.00000 0.00000 228 4XY -0.00000 -0.00005 -0.00000 -0.00000 0.00000 229 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 230 4YZ 0.00000 -0.00000 0.00000 0.00008 -0.00000 231 25 C 1S 0.00000 0.00000 0.00001 0.00000 -0.00000 232 2S -0.00008 -0.00012 -0.00028 -0.00000 0.00000 233 2PX -0.00026 0.00005 -0.00079 -0.00000 0.00000 234 2PY -0.00057 -0.00040 -0.00164 -0.00000 -0.00000 235 2PZ -0.00000 -0.00000 -0.00000 -0.00016 -0.00000 236 3S -0.00167 -0.00002 -0.00359 -0.00000 0.00001 237 3PX -0.00158 -0.00002 -0.00269 -0.00000 0.00001 238 3PY -0.00222 -0.00091 -0.00317 -0.00000 0.00000 239 3PZ -0.00000 -0.00000 -0.00000 -0.00071 0.00000 240 4XX -0.00000 0.00000 -0.00001 -0.00000 -0.00000 241 4YY 0.00001 -0.00001 0.00001 -0.00000 -0.00000 242 4ZZ 0.00000 0.00001 0.00001 -0.00000 -0.00000 243 4XY -0.00001 0.00002 0.00002 0.00000 -0.00000 244 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 245 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 246 26 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 248 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 2PY 0.00001 0.00000 0.00003 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00002 0.00001 0.00012 0.00000 0.00000 252 3PX 0.00002 -0.00001 0.00002 0.00000 -0.00000 253 3PY 0.00004 0.00002 0.00021 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 255 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 257 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 260 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 265 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 266 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 267 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 268 3PY -0.00000 -0.00000 -0.00003 -0.00000 -0.00000 269 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 270 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 272 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 273 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 274 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 276 28 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 277 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 278 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 279 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 280 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 281 3S -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 282 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 283 3PY -0.00001 -0.00000 -0.00004 -0.00000 -0.00000 284 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 287 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 288 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 289 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 290 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 291 29 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 292 2S 0.00001 0.00000 0.00001 0.00000 0.00000 293 2PX 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 294 2PY 0.00007 0.00001 0.00024 0.00000 0.00000 295 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 296 3S 0.00044 0.00004 0.00055 0.00000 -0.00000 297 3PX 0.00001 -0.00001 -0.00008 -0.00000 -0.00000 298 3PY 0.00116 0.00015 0.00214 0.00000 -0.00000 299 3PZ 0.00000 0.00000 0.00000 -0.00018 -0.00000 300 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 301 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 302 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 303 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 304 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 305 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 306 30 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 307 2S -0.00001 -0.00000 0.00002 0.00000 0.00000 308 31 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 0.00000 0.00000 0.00000 0.00000 310 32 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 312 33 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 0.00000 0.00000 0.00000 0.00000 314 34 H 1S -0.00018 -0.00081 -0.00048 -0.00000 -0.00000 315 2S 0.00033 -0.00268 -0.00066 -0.00000 0.00000 126 127 128 129 130 126 4YY 0.00130 127 4ZZ 0.00003 0.00084 128 4XY 0.00000 -0.00000 0.00134 129 4XZ -0.00000 -0.00000 0.00000 0.00060 130 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00045 131 14 C 1S -0.00014 0.00000 -0.00010 -0.00000 -0.00000 132 2S 0.00212 -0.00027 0.00124 0.00000 0.00000 133 2PX 0.00202 -0.00013 0.00007 0.00000 0.00000 134 2PY -0.00002 -0.00055 0.00209 0.00000 -0.00000 135 2PZ -0.00000 0.00000 0.00000 0.00043 0.00122 136 3S 0.00252 -0.00069 0.00071 0.00000 0.00000 137 3PX 0.00053 -0.00019 0.00021 0.00000 0.00000 138 3PY 0.00032 -0.00026 0.00021 -0.00000 -0.00000 139 3PZ -0.00000 -0.00000 0.00000 0.00035 0.00088 140 4XX -0.00015 0.00000 -0.00000 -0.00000 -0.00000 141 4YY 0.00013 -0.00003 -0.00006 0.00000 0.00000 142 4ZZ -0.00003 0.00001 -0.00002 -0.00000 0.00000 143 4XY -0.00012 -0.00002 -0.00000 -0.00000 -0.00000 144 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00002 145 4YZ 0.00000 0.00000 -0.00000 -0.00004 -0.00004 146 15 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 147 2S 0.00002 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 149 2PY 0.00012 0.00000 0.00000 0.00000 0.00000 150 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00001 151 3S 0.00018 0.00002 0.00000 0.00000 0.00000 152 3PX 0.00001 0.00000 -0.00005 -0.00000 0.00000 153 3PY 0.00047 0.00005 0.00001 0.00000 0.00000 154 3PZ -0.00000 -0.00000 0.00000 -0.00001 0.00018 155 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 156 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 157 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 158 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 159 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 161 16 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 162 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 163 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 164 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 165 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 166 3S -0.00001 0.00001 -0.00002 -0.00000 0.00000 167 3PX -0.00005 0.00000 0.00001 0.00000 -0.00000 168 3PY 0.00005 0.00001 -0.00002 -0.00000 0.00000 169 3PZ -0.00000 -0.00000 -0.00000 0.00001 0.00002 170 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 171 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 172 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 176 17 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 177 2S 0.00000 0.00000 0.00001 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00004 0.00000 0.00000 179 2PY 0.00000 -0.00000 0.00003 0.00000 0.00000 180 2PZ 0.00000 -0.00000 0.00000 0.00002 -0.00000 181 3S -0.00003 0.00002 0.00010 0.00000 -0.00000 182 3PX -0.00003 0.00003 0.00010 0.00000 0.00000 183 3PY 0.00006 0.00002 0.00006 -0.00000 0.00000 184 3PZ 0.00000 0.00000 -0.00000 0.00020 -0.00003 185 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 186 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 187 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 188 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 191 18 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 192 2S -0.00054 -0.00027 0.00006 0.00000 -0.00000 193 2PX -0.00135 -0.00068 0.00023 0.00000 -0.00000 194 2PY 0.00001 -0.00000 0.00181 0.00000 0.00000 195 2PZ 0.00000 -0.00000 0.00000 0.00167 -0.00002 196 3S -0.00219 -0.00069 0.00001 0.00000 -0.00000 197 3PX -0.00175 -0.00047 0.00002 0.00000 -0.00000 198 3PY -0.00006 0.00003 0.00058 0.00000 -0.00000 199 3PZ -0.00000 0.00000 0.00000 0.00125 -0.00003 200 4XX -0.00002 -0.00006 -0.00002 -0.00000 -0.00000 201 4YY 0.00002 0.00000 0.00000 -0.00000 0.00000 202 4ZZ 0.00001 0.00001 -0.00000 -0.00000 0.00000 203 4XY 0.00000 -0.00000 -0.00025 -0.00000 0.00000 204 4XZ 0.00000 0.00000 -0.00000 -0.00005 0.00001 205 4YZ 0.00000 0.00000 -0.00000 -0.00001 0.00000 206 19 H 1S 0.00000 0.00000 0.00004 0.00000 0.00000 207 2S 0.00025 0.00006 0.00023 0.00000 0.00000 208 20 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 209 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 21 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 212 22 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 213 2S -0.00001 -0.00000 0.00000 0.00000 -0.00000 214 23 H 1S -0.00003 0.00000 0.00005 0.00000 -0.00000 215 2S -0.00060 0.00006 0.00004 0.00000 -0.00000 216 24 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 217 2S 0.00001 0.00000 -0.00000 -0.00000 0.00000 218 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 2PY 0.00004 0.00000 -0.00000 -0.00000 0.00000 220 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 221 3S 0.00017 0.00002 -0.00000 -0.00000 0.00000 222 3PX -0.00000 -0.00000 -0.00005 -0.00000 0.00000 223 3PY 0.00028 0.00001 0.00000 -0.00000 0.00000 224 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00008 225 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 226 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 227 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 228 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 229 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 231 25 C 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 232 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 233 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 234 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 235 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 236 3S -0.00002 0.00000 -0.00002 -0.00000 -0.00000 237 3PX -0.00003 0.00000 0.00002 0.00000 -0.00000 238 3PY -0.00001 0.00000 0.00000 0.00000 -0.00000 239 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00001 240 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 241 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 242 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 243 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 244 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 245 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 246 26 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 247 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 251 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 252 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 255 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 256 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 257 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 258 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 259 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 260 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 263 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 265 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 266 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 267 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 268 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 269 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 270 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 271 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 272 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 273 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 275 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 281 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 282 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 283 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 284 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 285 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 286 4YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 287 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 289 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 290 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 291 29 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 292 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 293 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 294 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 295 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 297 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 298 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 299 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 300 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 301 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 302 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 303 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 304 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 305 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 306 30 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 307 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 312 33 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 313 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 315 2S -0.00001 0.00000 -0.00002 -0.00000 -0.00000 131 132 133 134 135 131 14 C 1S 2.05345 132 2S -0.01436 0.33572 133 2PX 0.00000 0.00000 0.45338 134 2PY 0.00000 0.00000 0.00000 0.41634 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.31455 136 3S -0.03280 0.22693 0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 0.08953 0.00000 0.00000 138 3PY 0.00000 0.00000 -0.00000 0.07230 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.12076 140 4XX -0.00161 0.00168 0.00000 0.00000 0.00000 141 4YY -0.00137 -0.00166 0.00000 0.00000 0.00000 142 4ZZ -0.00089 -0.01155 0.00000 0.00000 0.00000 143 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 144 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 145 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 -0.00056 -0.00085 -0.00205 -0.00000 147 2S -0.00056 0.01132 0.01261 0.02989 0.00000 148 2PX -0.00062 0.01000 -0.00004 0.02438 0.00000 149 2PY -0.00228 0.03417 0.03015 0.04893 0.00000 150 2PZ -0.00000 0.00000 0.00000 0.00000 0.02398 151 3S 0.00045 0.00605 0.01191 0.02114 0.00000 152 3PX -0.00067 0.00520 -0.00087 0.00997 0.00000 153 3PY -0.00095 0.01732 0.00674 0.00567 0.00000 154 3PZ -0.00000 0.00000 0.00000 0.00000 0.03399 155 4XX 0.00001 -0.00038 -0.00039 -0.00065 -0.00000 156 4YY -0.00013 0.00181 0.00250 -0.00019 -0.00000 157 4ZZ 0.00000 -0.00035 -0.00022 -0.00064 0.00000 158 4XY -0.00016 0.00173 -0.00006 0.00224 0.00000 159 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00039 160 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00149 161 16 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 -0.00008 -0.00030 -0.00014 -0.00000 163 2PX 0.00000 -0.00028 -0.00070 -0.00031 -0.00000 164 2PY 0.00000 -0.00006 -0.00012 -0.00008 -0.00000 165 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00004 166 3S -0.00007 0.00030 -0.00313 -0.00011 -0.00000 167 3PX 0.00000 -0.00134 -0.00503 -0.00058 -0.00000 168 3PY -0.00008 0.00053 0.00213 0.00017 -0.00000 169 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00014 170 4XX -0.00000 0.00001 0.00005 0.00003 0.00000 171 4YY -0.00000 0.00000 0.00001 0.00001 0.00000 172 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 173 4XY -0.00000 0.00003 0.00009 0.00005 0.00000 174 4XZ -0.00000 0.00000 0.00000 0.00000 0.00003 175 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 176 17 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 -0.00002 -0.00005 -0.00000 -0.00000 178 2PX 0.00000 -0.00005 -0.00016 -0.00000 -0.00000 179 2PY -0.00000 -0.00000 0.00000 -0.00001 -0.00000 180 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00005 181 3S 0.00006 -0.00110 -0.00255 -0.00000 -0.00000 182 3PX 0.00013 -0.00165 -0.00241 -0.00000 -0.00000 183 3PY -0.00000 -0.00000 0.00001 -0.00039 -0.00000 184 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00167 185 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 186 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 188 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 189 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 190 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 191 18 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00015 -0.00037 -0.00017 -0.00000 193 2PX 0.00000 -0.00043 -0.00070 -0.00047 -0.00000 194 2PY 0.00000 -0.00010 -0.00005 -0.00006 0.00000 195 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00016 196 3S 0.00002 -0.00160 -0.00299 -0.00182 -0.00000 197 3PX 0.00008 -0.00233 -0.00196 -0.00149 -0.00000 198 3PY -0.00012 0.00096 0.00308 0.00028 -0.00000 199 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00237 200 4XX -0.00000 0.00002 0.00008 0.00007 0.00000 201 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 202 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 203 4XY -0.00000 0.00004 0.00013 0.00007 0.00000 204 4XZ -0.00000 0.00000 0.00000 0.00000 0.00004 205 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00001 206 19 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 207 2S -0.00001 0.00021 0.00042 0.00036 0.00000 208 20 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 209 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 210 21 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 0.00011 0.00026 0.00023 0.00000 212 22 H 1S 0.00000 -0.00026 -0.00000 -0.00072 -0.00000 213 2S 0.00026 -0.00377 -0.00002 -0.00879 -0.00000 214 23 H 1S -0.00235 0.03525 0.10932 0.00190 0.00000 215 2S -0.00042 0.00818 0.05843 0.00207 0.00000 216 24 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 217 2S -0.00000 0.00000 0.00000 0.00000 0.00000 218 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 219 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 220 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 221 3S -0.00000 0.00001 0.00000 0.00007 0.00000 222 3PX -0.00000 0.00000 -0.00000 0.00001 0.00000 223 3PY 0.00000 0.00001 -0.00001 0.00024 0.00000 224 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00001 225 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 226 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 227 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 228 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 229 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 230 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 234 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 235 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 236 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 237 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 238 3PY -0.00000 0.00000 0.00000 -0.00001 -0.00000 239 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 240 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 241 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 242 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 243 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 244 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 245 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 250 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 251 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 252 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 253 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 254 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 257 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 265 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 266 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 267 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 268 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 269 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 280 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 281 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 282 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 283 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 284 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 293 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 294 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 295 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 296 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 297 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 298 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 299 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 300 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 301 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 303 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 304 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 306 30 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 307 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 0.00000 0.00000 0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 0.00000 0.00000 0.00000 0.00000 314 34 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 315 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 136 137 138 139 140 136 3S 0.29448 137 3PX 0.00000 0.06368 138 3PY 0.00000 0.00000 0.06827 139 3PZ 0.00000 0.00000 0.00000 0.14447 140 4XX 0.00247 0.00000 0.00000 0.00000 0.00188 141 4YY -0.00157 0.00000 0.00000 0.00000 -0.00032 142 4ZZ -0.00778 0.00000 0.00000 0.00000 -0.00003 143 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 145 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 146 15 C 1S 0.00071 -0.00047 -0.00121 -0.00000 0.00001 147 2S 0.00534 0.01000 0.01345 0.00000 -0.00036 148 2PX -0.00100 -0.00132 0.01301 0.00000 -0.00029 149 2PY 0.02575 0.00896 0.00460 0.00000 0.00004 150 2PZ 0.00000 0.00000 0.00000 0.03611 -0.00000 151 3S -0.02090 0.00860 0.00108 0.00000 -0.00145 152 3PX -0.00390 0.00030 0.00542 0.00000 -0.00039 153 3PY 0.00958 0.00214 -0.00040 0.00000 0.00001 154 3PZ 0.00000 0.00000 0.00000 0.05591 -0.00000 155 4XX -0.00042 -0.00072 -0.00090 -0.00000 0.00004 156 4YY 0.00120 0.00075 0.00030 -0.00000 -0.00023 157 4ZZ -0.00041 -0.00029 -0.00037 -0.00000 0.00000 158 4XY 0.00078 0.00010 0.00011 -0.00000 0.00002 159 4XZ 0.00000 0.00000 0.00000 0.00028 0.00000 160 4YZ 0.00000 0.00000 -0.00000 0.00095 -0.00000 161 16 C 1S -0.00005 -0.00002 0.00009 0.00000 -0.00000 162 2S -0.00027 -0.00119 -0.00170 -0.00000 0.00003 163 2PX 0.00055 -0.00007 -0.00377 -0.00000 0.00013 164 2PY -0.00219 -0.00028 -0.00072 0.00000 0.00001 165 2PZ -0.00000 -0.00000 0.00000 0.00023 0.00000 166 3S 0.00408 -0.00453 -0.00102 -0.00000 0.00031 167 3PX 0.00137 -0.00220 -0.00315 -0.00000 0.00065 168 3PY -0.00114 0.00229 0.00003 0.00000 -0.00012 169 3PZ -0.00000 0.00000 0.00000 -0.00040 -0.00000 170 4XX 0.00012 0.00023 0.00003 0.00000 0.00000 171 4YY -0.00003 0.00001 0.00011 0.00000 -0.00000 172 4ZZ -0.00001 -0.00003 0.00001 0.00000 -0.00000 173 4XY 0.00018 0.00015 0.00006 0.00000 -0.00000 174 4XZ 0.00000 0.00000 -0.00000 0.00026 -0.00000 175 4YZ -0.00000 -0.00000 0.00000 -0.00005 -0.00000 176 17 C 1S 0.00005 0.00008 0.00000 0.00000 -0.00000 177 2S -0.00073 -0.00066 -0.00001 -0.00000 0.00000 178 2PX -0.00204 -0.00056 -0.00001 -0.00000 0.00000 179 2PY 0.00001 0.00000 -0.00033 -0.00000 0.00000 180 2PZ 0.00000 0.00000 -0.00000 -0.00171 0.00000 181 3S -0.00644 -0.00653 -0.00002 -0.00000 0.00007 182 3PX -0.00693 -0.00284 -0.00003 -0.00000 0.00013 183 3PY 0.00003 -0.00000 -0.00095 -0.00000 0.00000 184 3PZ 0.00000 -0.00000 -0.00000 -0.00791 0.00000 185 4XX 0.00004 0.00012 0.00000 0.00000 0.00000 186 4YY 0.00001 -0.00004 -0.00000 0.00000 -0.00000 187 4ZZ 0.00001 -0.00000 0.00000 0.00000 -0.00000 188 4XY -0.00000 0.00000 -0.00006 -0.00000 0.00000 189 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 190 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 191 18 C 1S 0.00002 -0.00014 0.00010 0.00000 -0.00000 192 2S -0.00160 0.00028 -0.00165 -0.00000 0.00005 193 2PX -0.00423 0.00259 -0.00355 -0.00000 0.00018 194 2PY -0.00058 0.00102 -0.00016 -0.00000 0.00003 195 2PZ -0.00000 0.00000 -0.00000 -0.00237 0.00000 196 3S -0.00521 0.00086 -0.00639 -0.00000 0.00040 197 3PX -0.00916 0.00075 -0.00497 -0.00000 0.00059 198 3PY 0.00362 0.00513 -0.00008 -0.00000 -0.00012 199 3PZ 0.00000 0.00000 -0.00000 -0.00917 -0.00000 200 4XX 0.00026 0.00031 0.00007 0.00000 -0.00000 201 4YY -0.00003 -0.00012 0.00007 0.00000 -0.00000 202 4ZZ 0.00001 -0.00008 0.00003 0.00000 -0.00000 203 4XY 0.00023 0.00011 0.00005 0.00000 -0.00001 204 4XZ 0.00000 0.00000 0.00000 0.00027 -0.00000 205 4YZ -0.00000 -0.00000 0.00000 -0.00006 -0.00000 206 19 H 1S 0.00008 -0.00008 0.00013 0.00000 -0.00000 207 2S 0.00167 0.00033 0.00173 0.00000 -0.00004 208 20 H 1S 0.00001 0.00001 -0.00000 0.00000 0.00000 209 2S 0.00024 0.00016 -0.00000 0.00000 0.00001 210 21 H 1S 0.00008 0.00003 0.00022 0.00000 -0.00000 211 2S 0.00095 0.00081 0.00196 0.00000 -0.00002 212 22 H 1S -0.00475 -0.00002 -0.00017 -0.00000 -0.00001 213 2S -0.01359 -0.00007 -0.00588 -0.00000 -0.00042 214 23 H 1S 0.03662 0.05133 -0.00100 -0.00000 0.00786 215 2S 0.00065 0.03855 -0.00021 -0.00000 0.00633 216 24 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 217 2S 0.00001 0.00000 0.00003 0.00000 -0.00000 218 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 219 2PY 0.00005 0.00000 0.00014 0.00000 0.00000 220 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 221 3S 0.00044 0.00001 0.00116 0.00000 -0.00000 222 3PX 0.00004 -0.00001 0.00015 0.00000 -0.00000 223 3PY 0.00055 -0.00008 0.00214 0.00000 0.00000 224 3PZ 0.00000 -0.00000 0.00000 -0.00018 0.00000 225 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 226 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 227 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 229 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 230 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 232 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 233 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 234 2PY -0.00000 -0.00000 -0.00001 -0.00000 0.00000 235 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 236 3S -0.00003 -0.00002 -0.00002 -0.00000 0.00000 237 3PX -0.00002 -0.00001 0.00001 0.00000 -0.00000 238 3PY -0.00007 0.00000 -0.00024 -0.00000 0.00000 239 3PZ -0.00000 0.00000 -0.00000 -0.00003 0.00000 240 4XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 241 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 242 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 243 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 244 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 245 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 246 26 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 248 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 252 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 257 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 265 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 266 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 267 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 268 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 269 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 277 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 278 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 279 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 280 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 281 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 282 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 283 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 284 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 290 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 293 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 294 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 295 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 296 3S -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 297 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 298 3PY -0.00001 0.00000 -0.00004 -0.00000 0.00000 299 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 300 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 301 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 303 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 304 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 305 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 306 30 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 307 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 308 31 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 309 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 314 34 H 1S -0.00000 -0.00000 -0.00001 -0.00000 0.00000 315 2S -0.00011 -0.00004 -0.00019 -0.00000 0.00000 141 142 143 144 145 141 4YY 0.00125 142 4ZZ 0.00008 0.00094 143 4XY 0.00000 0.00000 0.00103 144 4XZ 0.00000 0.00000 0.00000 0.00019 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00078 146 15 C 1S -0.00014 0.00000 -0.00015 -0.00000 -0.00000 147 2S 0.00185 -0.00035 0.00160 0.00000 0.00000 148 2PX 0.00199 -0.00014 -0.00004 -0.00000 0.00000 149 2PY -0.00146 -0.00064 0.00241 0.00000 -0.00000 150 2PZ -0.00000 0.00000 0.00000 0.00045 0.00168 151 3S 0.00236 -0.00044 0.00065 0.00000 0.00000 152 3PX 0.00066 -0.00015 0.00000 0.00000 0.00000 153 3PY -0.00085 -0.00047 0.00013 0.00000 -0.00000 154 3PZ -0.00000 -0.00000 -0.00000 0.00026 0.00111 155 4XX -0.00015 0.00000 -0.00001 -0.00000 -0.00000 156 4YY 0.00018 -0.00003 -0.00004 -0.00000 0.00000 157 4ZZ -0.00003 0.00002 -0.00003 0.00000 -0.00000 158 4XY -0.00021 -0.00004 0.00002 0.00000 -0.00000 159 4XZ -0.00000 -0.00000 0.00000 -0.00000 -0.00005 160 4YZ 0.00000 -0.00000 -0.00000 0.00003 0.00002 161 16 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 162 2S -0.00001 0.00000 0.00001 0.00000 -0.00000 163 2PX -0.00003 -0.00000 0.00007 0.00000 -0.00000 164 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 165 2PZ -0.00000 0.00000 -0.00000 0.00001 0.00001 166 3S -0.00016 -0.00001 0.00005 0.00000 -0.00000 167 3PX -0.00026 -0.00004 0.00005 0.00000 -0.00000 168 3PY 0.00005 -0.00001 0.00002 -0.00000 -0.00000 169 3PZ -0.00000 -0.00000 -0.00000 0.00006 0.00014 170 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 172 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 173 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 174 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 176 17 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 177 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 178 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 179 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 180 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 181 3S -0.00000 0.00002 -0.00000 -0.00000 0.00000 182 3PX -0.00004 0.00002 0.00000 0.00000 -0.00000 183 3PY -0.00000 -0.00000 -0.00005 -0.00000 0.00000 184 3PZ -0.00000 0.00000 -0.00000 0.00002 -0.00000 185 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 186 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 188 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 191 18 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 192 2S -0.00001 -0.00000 0.00003 0.00000 -0.00000 193 2PX -0.00003 -0.00000 0.00016 0.00000 -0.00000 194 2PY -0.00000 -0.00000 0.00001 -0.00000 -0.00000 195 2PZ -0.00000 0.00000 -0.00000 0.00001 0.00002 196 3S -0.00013 0.00001 0.00019 0.00000 -0.00000 197 3PX -0.00021 0.00001 0.00016 0.00000 -0.00000 198 3PY 0.00005 -0.00006 0.00002 -0.00000 -0.00000 199 3PZ -0.00000 -0.00000 -0.00000 0.00005 0.00016 200 4XX 0.00000 -0.00000 0.00001 0.00000 0.00000 201 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 202 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 203 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 204 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 206 19 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 207 2S 0.00001 -0.00000 -0.00001 -0.00000 0.00000 208 20 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 209 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 210 21 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 211 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00016 0.00000 -0.00000 -0.00000 0.00000 213 2S 0.00092 0.00009 -0.00002 -0.00000 0.00000 214 23 H 1S -0.00150 -0.00082 0.00050 -0.00000 -0.00000 215 2S -0.00342 -0.00066 0.00008 -0.00000 -0.00000 216 24 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 217 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 218 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 219 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 220 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 221 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 222 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 223 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 224 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 225 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 227 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 228 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 229 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 230 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 231 25 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 233 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 234 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 235 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 236 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 237 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 238 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 239 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 240 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 241 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 242 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 243 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 244 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 245 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 249 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 251 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 252 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 253 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 267 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 268 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 269 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 282 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 283 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 284 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 293 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 294 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 295 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 296 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 297 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 298 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 299 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 300 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 301 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 302 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 303 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 304 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 305 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 306 30 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 307 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 314 34 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 315 2S -0.00000 0.00000 0.00000 0.00000 0.00000 146 147 148 149 150 146 15 C 1S 2.05309 147 2S -0.01402 0.33160 148 2PX 0.00000 0.00000 0.42741 149 2PY 0.00000 0.00000 -0.00000 0.42578 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.32817 151 3S -0.03106 0.20752 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.07315 -0.00000 -0.00000 153 3PY 0.00000 0.00000 0.00000 0.07739 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.12117 155 4XX -0.00138 -0.00181 0.00000 0.00000 0.00000 156 4YY -0.00157 0.00111 0.00000 0.00000 0.00000 157 4ZZ -0.00090 -0.01136 0.00000 0.00000 0.00000 158 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 160 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 -0.00053 -0.00285 -0.00000 -0.00000 162 2S -0.00053 0.01061 0.04328 0.00010 0.00000 163 2PX -0.00287 0.04310 0.10390 0.00024 0.00000 164 2PY -0.00000 -0.00002 0.00002 0.00155 0.00000 165 2PZ -0.00000 0.00000 0.00000 0.00000 0.02095 166 3S 0.00030 0.00803 0.03075 -0.00015 -0.00000 167 3PX -0.00128 0.02024 0.01719 0.00022 0.00000 168 3PY 0.00001 0.00018 -0.00030 0.00591 0.00000 169 3PZ 0.00000 0.00000 -0.00000 0.00000 0.02884 170 4XX -0.00030 0.00390 0.00251 -0.00000 0.00000 171 4YY 0.00000 -0.00064 -0.00164 0.00000 -0.00000 172 4ZZ 0.00000 -0.00036 -0.00077 0.00000 0.00000 173 4XY -0.00000 0.00001 0.00006 0.00228 0.00000 174 4XZ -0.00000 0.00000 0.00000 0.00000 0.00215 175 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00001 176 17 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 -0.00013 -0.00039 -0.00011 -0.00000 178 2PX 0.00000 -0.00036 -0.00067 -0.00013 -0.00000 179 2PY 0.00000 -0.00014 -0.00041 -0.00005 0.00000 180 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00003 181 3S -0.00002 -0.00107 -0.00090 -0.00218 -0.00000 182 3PX -0.00004 -0.00143 0.00111 -0.00100 -0.00000 183 3PY 0.00009 -0.00155 -0.00340 -0.00036 0.00000 184 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00090 185 4XX -0.00000 0.00004 0.00017 0.00002 0.00000 186 4YY 0.00000 -0.00001 -0.00003 -0.00000 -0.00000 187 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 188 4XY -0.00000 0.00002 0.00012 0.00001 -0.00000 189 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00001 190 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00002 191 18 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00002 -0.00001 -0.00004 -0.00000 193 2PX 0.00000 -0.00001 0.00002 -0.00006 -0.00000 194 2PY 0.00000 -0.00004 -0.00007 -0.00005 0.00000 195 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00005 196 3S 0.00005 -0.00073 -0.00108 -0.00095 -0.00000 197 3PX 0.00000 0.00015 0.00017 -0.00018 -0.00000 198 3PY 0.00008 -0.00083 -0.00079 -0.00010 0.00000 199 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00171 200 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 201 4YY 0.00000 -0.00000 -0.00000 0.00001 0.00000 202 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 203 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 206 19 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 207 2S -0.00000 0.00002 0.00002 0.00003 0.00000 208 20 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 209 2S -0.00000 0.00015 0.00050 0.00003 0.00000 210 21 H 1S 0.00000 -0.00018 -0.00056 -0.00015 -0.00000 211 2S 0.00018 -0.00244 -0.00714 -0.00220 -0.00000 212 22 H 1S -0.00207 0.03285 0.02957 0.07080 0.00000 213 2S -0.00128 0.01286 0.01720 0.03978 0.00000 214 23 H 1S 0.00000 -0.00040 -0.00084 -0.00031 -0.00000 215 2S 0.00026 -0.00341 -0.00668 -0.00232 -0.00000 216 24 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 218 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 219 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 220 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 221 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 222 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 223 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 224 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 225 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 226 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 227 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 228 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 229 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 230 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 234 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 235 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 236 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 237 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 238 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 239 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 240 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 241 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 242 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 243 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 244 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 248 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 250 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 251 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 252 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 253 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 254 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 267 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 268 3PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 269 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 282 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 283 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 284 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 0.00000 0.00000 0.00000 0.00000 293 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 294 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 295 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 296 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 297 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 298 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 299 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 300 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 301 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 303 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 307 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 0.00000 0.00000 0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 314 34 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 315 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 151 152 153 154 155 151 3S 0.24394 152 3PX 0.00000 0.04483 153 3PY 0.00000 -0.00000 0.05335 154 3PZ 0.00000 0.00000 0.00000 0.13913 155 4XX -0.00138 0.00000 0.00000 0.00000 0.00122 156 4YY 0.00187 0.00000 0.00000 0.00000 -0.00022 157 4ZZ -0.00710 0.00000 0.00000 0.00000 0.00006 158 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 159 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 161 16 C 1S 0.00033 -0.00132 -0.00001 -0.00000 -0.00029 162 2S 0.00826 0.02098 -0.00016 -0.00000 0.00391 163 2PX 0.03147 0.01702 0.00032 0.00000 0.00259 164 2PY 0.00032 -0.00017 0.00646 0.00000 0.00005 165 2PZ 0.00000 -0.00000 0.00000 0.02952 0.00000 166 3S -0.00792 0.01641 -0.00027 -0.00000 0.00347 167 3PX 0.01228 0.00205 0.00024 0.00000 0.00098 168 3PY 0.00033 -0.00018 0.00561 0.00000 -0.00003 169 3PZ 0.00000 -0.00000 0.00000 0.04436 -0.00000 170 4XX 0.00363 0.00090 0.00003 0.00000 -0.00005 171 4YY -0.00200 -0.00186 -0.00001 -0.00000 -0.00002 172 4ZZ -0.00053 -0.00053 0.00001 -0.00000 -0.00006 173 4XY -0.00001 0.00001 0.00060 0.00000 -0.00000 174 4XZ -0.00000 0.00000 0.00000 0.00137 -0.00000 175 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 176 17 C 1S -0.00002 0.00012 -0.00006 -0.00000 -0.00000 177 2S -0.00107 -0.00304 0.00006 0.00000 0.00002 178 2PX -0.00372 -0.00480 0.00166 0.00000 0.00007 179 2PY 0.00064 -0.00075 0.00025 -0.00000 0.00006 180 2PZ 0.00000 -0.00000 -0.00000 -0.00090 0.00000 181 3S 0.00147 -0.00307 -0.00122 -0.00000 0.00021 182 3PX -0.00336 -0.00187 0.00166 0.00000 0.00033 183 3PY -0.00093 -0.00313 0.00011 -0.00000 0.00009 184 3PZ -0.00000 -0.00000 -0.00000 -0.00402 0.00000 185 4XX 0.00032 0.00061 -0.00010 -0.00000 0.00000 186 4YY -0.00012 -0.00018 0.00004 -0.00000 0.00000 187 4ZZ 0.00000 0.00002 -0.00001 -0.00000 -0.00000 188 4XY 0.00016 0.00016 0.00002 -0.00000 0.00001 189 4XZ 0.00000 0.00000 -0.00000 0.00005 0.00000 190 4YZ -0.00000 -0.00000 -0.00000 0.00016 0.00000 191 18 C 1S 0.00006 0.00004 0.00010 0.00000 -0.00000 192 2S -0.00110 -0.00040 -0.00124 -0.00000 0.00000 193 2PX -0.00056 0.00010 -0.00094 -0.00000 0.00000 194 2PY -0.00199 -0.00125 -0.00072 0.00000 -0.00000 195 2PZ -0.00000 -0.00000 0.00000 -0.00167 -0.00000 196 3S -0.00644 -0.00270 -0.00420 -0.00000 0.00002 197 3PX -0.00062 0.00006 -0.00068 -0.00000 0.00004 198 3PY -0.00593 -0.00165 -0.00155 0.00000 -0.00012 199 3PZ -0.00000 -0.00000 0.00000 -0.00791 -0.00000 200 4XX 0.00002 0.00005 -0.00009 -0.00000 -0.00000 201 4YY 0.00002 -0.00009 0.00014 0.00000 0.00000 202 4ZZ 0.00002 0.00001 0.00002 -0.00000 0.00000 203 4XY 0.00002 0.00001 0.00002 0.00000 -0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 205 4YZ 0.00000 -0.00000 0.00000 0.00001 0.00000 206 19 H 1S 0.00002 0.00001 0.00002 0.00000 -0.00000 207 2S 0.00047 0.00027 0.00032 0.00000 -0.00000 208 20 H 1S 0.00009 0.00027 -0.00005 -0.00000 -0.00000 209 2S 0.00114 0.00263 -0.00027 -0.00000 -0.00000 210 21 H 1S -0.00370 -0.00161 -0.00036 -0.00000 0.00001 211 2S -0.01113 -0.00693 -0.00157 -0.00000 -0.00031 212 22 H 1S 0.04178 0.01503 0.03506 0.00000 -0.00056 213 2S 0.02652 0.01277 0.02756 0.00000 -0.00075 214 23 H 1S -0.00425 0.00020 0.00000 0.00000 0.00020 215 2S -0.01012 -0.00186 -0.00091 -0.00000 0.00119 216 24 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 218 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 219 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 220 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 221 3S -0.00000 -0.00000 -0.00001 -0.00000 0.00000 222 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 223 3PY -0.00001 -0.00000 -0.00004 -0.00000 0.00000 224 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 225 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 226 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 227 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 229 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 230 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 231 25 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 232 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 233 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 234 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 235 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 236 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 237 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 238 3PY 0.00000 0.00000 0.00001 0.00000 -0.00000 239 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 240 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 241 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 242 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 243 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 244 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 245 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 250 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 251 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 252 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 253 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 254 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 255 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 256 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 258 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 259 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 260 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 261 27 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 263 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 266 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 267 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 268 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 269 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 270 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 271 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 272 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 273 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 274 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 275 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 276 28 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 281 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 282 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 283 3PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 284 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 285 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 287 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 288 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 289 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 291 29 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 292 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 293 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 294 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 295 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 296 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 297 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 298 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 299 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 300 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 301 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 302 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 303 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 304 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 305 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 306 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 307 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 0.00000 0.00000 0.00000 0.00000 310 32 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 311 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 312 33 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 313 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 315 2S -0.00000 0.00000 0.00000 0.00000 0.00000 156 157 158 159 160 156 4YY 0.00126 157 4ZZ 0.00001 0.00091 158 4XY -0.00000 0.00000 0.00169 159 4XZ -0.00000 0.00000 0.00000 0.00050 160 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00035 161 16 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 162 2S -0.00061 -0.00035 0.00001 0.00000 -0.00000 163 2PX -0.00166 -0.00079 0.00000 0.00000 -0.00000 164 2PY 0.00000 -0.00000 0.00232 0.00000 0.00000 165 2PZ 0.00000 -0.00000 0.00000 0.00176 -0.00001 166 3S -0.00159 -0.00059 0.00002 0.00000 -0.00000 167 3PX -0.00180 -0.00060 0.00000 0.00000 -0.00000 168 3PY 0.00001 -0.00001 0.00064 0.00000 0.00000 169 3PZ 0.00000 -0.00000 0.00000 0.00109 -0.00000 170 4XX -0.00002 -0.00007 0.00000 0.00000 -0.00000 171 4YY 0.00003 0.00001 -0.00000 -0.00000 0.00000 172 4ZZ 0.00001 0.00002 -0.00000 0.00000 0.00000 173 4XY 0.00000 -0.00000 -0.00035 -0.00000 -0.00000 174 4XZ 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 176 17 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 177 2S 0.00000 -0.00000 0.00004 0.00000 0.00000 178 2PX 0.00001 -0.00000 0.00011 0.00000 0.00000 179 2PY 0.00000 -0.00000 0.00006 0.00000 0.00000 180 2PZ 0.00000 -0.00000 0.00000 0.00003 -0.00001 181 3S -0.00004 0.00000 0.00020 0.00000 -0.00000 182 3PX -0.00011 -0.00001 0.00012 0.00000 -0.00000 183 3PY 0.00008 0.00002 0.00005 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00026 -0.00005 185 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 187 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 188 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 191 18 C 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 192 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 193 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 194 2PY 0.00001 0.00000 -0.00000 -0.00000 0.00000 195 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 196 3S 0.00003 0.00001 0.00000 0.00000 0.00000 197 3PX -0.00008 -0.00001 0.00002 0.00000 -0.00000 198 3PY 0.00016 0.00001 -0.00001 -0.00000 0.00000 199 3PZ 0.00000 0.00000 -0.00000 0.00002 -0.00002 200 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 201 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 202 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 203 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 204 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 205 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 206 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 208 20 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 209 2S -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 210 21 H 1S 0.00001 0.00000 0.00008 0.00000 0.00000 211 2S 0.00025 0.00007 0.00031 0.00000 0.00000 212 22 H 1S 0.00297 -0.00071 0.00385 0.00000 0.00000 213 2S 0.00276 -0.00063 0.00075 -0.00000 0.00000 214 23 H 1S -0.00005 0.00000 0.00013 0.00000 -0.00000 215 2S -0.00071 0.00004 0.00018 0.00000 -0.00000 216 24 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 218 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 219 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 220 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 221 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 222 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 223 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 224 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 225 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 226 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 227 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 228 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 229 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 230 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 233 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 234 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 235 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 236 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 237 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 238 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 239 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 240 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 241 4YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 242 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 243 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 244 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 245 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 267 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 268 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 269 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 282 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 283 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 284 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 0.00000 0.00000 0.00000 0.00000 293 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 294 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 297 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 298 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 299 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 300 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 301 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 303 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 307 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 0.00000 0.00000 0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 314 34 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 315 2S -0.00000 0.00000 0.00000 0.00000 0.00000 161 162 163 164 165 161 16 C 1S 2.05361 162 2S -0.01468 0.34132 163 2PX 0.00000 0.00000 0.43874 164 2PY 0.00000 0.00000 0.00000 0.44215 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.29300 166 3S -0.03112 0.21178 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.07589 0.00000 0.00000 168 3PY 0.00000 0.00000 -0.00000 0.07658 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.10484 170 4XX -0.00137 -0.00200 0.00000 0.00000 0.00000 171 4YY -0.00157 0.00113 0.00000 0.00000 0.00000 172 4ZZ -0.00090 -0.01134 0.00000 0.00000 0.00000 173 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 -0.00053 -0.00066 -0.00222 -0.00000 177 2S -0.00053 0.01061 0.01044 0.03264 0.00000 178 2PX -0.00062 0.00902 -0.00057 0.02371 0.00000 179 2PY -0.00223 0.03436 0.02644 0.05613 0.00000 180 2PZ -0.00000 0.00000 0.00000 0.00000 0.02095 181 3S 0.00033 0.00826 0.00353 0.02826 0.00000 182 3PX -0.00024 0.00684 0.00040 0.00546 0.00000 183 3PY -0.00108 0.01399 0.01152 0.00625 0.00000 184 3PZ -0.00000 0.00000 0.00000 0.00000 0.02952 185 4XX 0.00001 -0.00039 -0.00025 -0.00033 -0.00000 186 4YY -0.00016 0.00210 0.00199 -0.00078 -0.00000 187 4ZZ 0.00000 -0.00035 -0.00013 -0.00066 0.00000 188 4XY -0.00014 0.00160 -0.00003 0.00270 0.00000 189 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00052 190 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00123 191 18 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 192 2S 0.00000 -0.00008 0.00000 -0.00035 -0.00000 193 2PX 0.00000 -0.00000 0.00002 -0.00000 -0.00000 194 2PY 0.00000 -0.00044 0.00001 -0.00123 -0.00000 195 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00004 196 3S -0.00005 -0.00027 -0.00008 -0.00156 -0.00000 197 3PX 0.00000 -0.00005 0.00043 -0.00021 0.00000 198 3PY 0.00007 -0.00284 -0.00004 -0.00502 -0.00000 199 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00023 200 4XX 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 201 4YY -0.00000 0.00003 -0.00000 0.00021 0.00000 202 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 203 4XY 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 204 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 205 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00002 206 19 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 207 2S -0.00000 0.00016 0.00001 0.00059 0.00000 208 20 H 1S 0.00000 -0.00019 -0.00051 -0.00026 -0.00000 209 2S 0.00018 -0.00261 -0.00683 -0.00311 -0.00000 210 21 H 1S -0.00208 0.03294 0.02532 0.07597 0.00000 211 2S -0.00107 0.00998 0.01408 0.04225 0.00000 212 22 H 1S 0.00000 -0.00019 -0.00064 -0.00013 -0.00000 213 2S 0.00018 -0.00261 -0.00805 -0.00189 -0.00000 214 23 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00000 0.00016 0.00053 0.00008 0.00000 216 24 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 218 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 219 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 220 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 221 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 222 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 223 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 224 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 225 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 226 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 227 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 228 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 229 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 230 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 233 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 235 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 236 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 237 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 238 3PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 239 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 240 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 241 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 242 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 243 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 244 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 251 3S -0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 253 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 267 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 268 3PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 269 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 282 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 283 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 284 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 293 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 294 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 295 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 296 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 297 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 298 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 299 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 300 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 301 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 303 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 307 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 0.00000 0.00000 0.00000 0.00000 314 34 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 315 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 166 167 168 169 170 166 3S 0.22415 167 3PX 0.00000 0.04841 168 3PY 0.00000 0.00000 0.04882 169 3PZ 0.00000 0.00000 0.00000 0.11649 170 4XX -0.00166 0.00000 0.00000 0.00000 0.00114 171 4YY 0.00229 0.00000 0.00000 0.00000 -0.00024 172 4ZZ -0.00708 0.00000 0.00000 0.00000 0.00008 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 176 17 C 1S 0.00030 -0.00038 -0.00089 -0.00000 0.00001 177 2S 0.00803 0.00260 0.01782 0.00000 -0.00043 178 2PX 0.00908 -0.00083 0.00590 0.00000 -0.00025 179 2PY 0.02152 0.01222 0.00572 0.00000 -0.00078 180 2PZ 0.00000 0.00000 0.00000 0.02884 -0.00000 181 3S -0.00792 -0.00110 0.01371 0.00000 -0.00042 182 3PX 0.00717 0.00127 0.00102 0.00000 -0.00053 183 3PY 0.00897 0.00626 -0.00083 0.00000 -0.00075 184 3PZ 0.00000 0.00000 0.00000 0.04436 -0.00000 185 4XX -0.00135 -0.00058 -0.00027 -0.00000 0.00004 186 4YY 0.00279 0.00100 -0.00041 -0.00000 -0.00014 187 4ZZ -0.00059 -0.00004 -0.00057 -0.00000 0.00000 188 4XY 0.00046 -0.00007 0.00012 -0.00000 0.00000 189 4XZ 0.00000 -0.00000 -0.00000 0.00030 0.00000 190 4YZ 0.00000 0.00000 -0.00000 0.00079 -0.00000 191 18 C 1S -0.00007 -0.00000 -0.00008 -0.00000 0.00000 192 2S 0.00030 0.00003 -0.00085 -0.00000 -0.00000 193 2PX 0.00003 0.00043 0.00005 -0.00000 0.00000 194 2PY -0.00328 0.00018 -0.00398 -0.00000 -0.00001 195 2PZ -0.00000 -0.00000 -0.00000 0.00014 -0.00000 196 3S 0.00408 -0.00006 0.00029 0.00000 -0.00015 197 3PX 0.00002 0.00055 -0.00011 0.00000 -0.00000 198 3PY -0.00557 0.00014 -0.00362 -0.00000 -0.00015 199 3PZ -0.00000 -0.00000 -0.00000 -0.00040 -0.00000 200 4XX -0.00009 0.00000 -0.00011 -0.00000 0.00000 201 4YY 0.00028 -0.00001 0.00064 -0.00000 -0.00000 202 4ZZ -0.00001 0.00000 -0.00005 -0.00000 0.00000 203 4XY -0.00001 -0.00012 -0.00001 0.00000 -0.00000 204 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 205 4YZ 0.00000 -0.00000 0.00000 0.00020 -0.00000 206 19 H 1S 0.00013 0.00008 0.00028 0.00000 0.00000 207 2S 0.00111 0.00048 0.00259 0.00000 0.00000 208 20 H 1S -0.00319 -0.00187 -0.00087 -0.00000 0.00008 209 2S -0.00934 -0.00698 -0.00354 -0.00000 0.00080 210 21 H 1S 0.04436 0.01206 0.03618 0.00000 -0.00077 211 2S 0.02565 0.00913 0.02739 0.00000 -0.00103 212 22 H 1S -0.00319 -0.00223 -0.00051 -0.00000 0.00003 213 2S -0.00934 -0.00871 -0.00181 -0.00000 -0.00019 214 23 H 1S 0.00013 0.00043 -0.00007 -0.00000 -0.00000 215 2S 0.00111 0.00335 -0.00029 -0.00000 -0.00001 216 24 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 218 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 220 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 221 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 222 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 223 3PY -0.00000 0.00001 -0.00003 -0.00000 0.00000 224 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 225 4XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 226 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 227 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 228 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 229 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 230 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 231 25 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 233 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 234 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 235 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 236 3S -0.00000 0.00000 -0.00001 -0.00000 -0.00000 237 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 238 3PY -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 239 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 240 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 241 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 242 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 243 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 244 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 245 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 246 26 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 247 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 257 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 265 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 266 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 267 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 268 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 269 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 270 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 271 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 275 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 280 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 281 3S 0.00000 -0.00000 0.00000 0.00000 -0.00000 282 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 283 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 284 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 285 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 286 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 287 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 288 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 289 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 290 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 293 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 294 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 295 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 296 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 297 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 298 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 299 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 300 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 301 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 302 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 303 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 304 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 305 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 306 30 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 307 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 308 31 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 309 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 310 32 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 312 33 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 313 2S 0.00000 0.00000 0.00000 0.00000 0.00000 314 34 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 315 2S -0.00002 0.00001 -0.00004 -0.00000 -0.00000 171 172 173 174 175 171 4YY 0.00146 172 4ZZ -0.00001 0.00089 173 4XY 0.00000 -0.00000 0.00161 174 4XZ 0.00000 -0.00000 0.00000 0.00061 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00044 176 17 C 1S -0.00015 0.00000 -0.00015 -0.00000 -0.00000 177 2S 0.00207 -0.00036 0.00162 0.00000 0.00000 178 2PX 0.00256 -0.00021 -0.00002 -0.00000 0.00000 179 2PY -0.00061 -0.00056 0.00232 0.00000 -0.00000 180 2PZ -0.00000 0.00000 0.00000 0.00044 0.00171 181 3S 0.00127 -0.00053 0.00076 0.00000 0.00000 182 3PX 0.00062 -0.00020 0.00012 0.00000 0.00000 183 3PY 0.00006 -0.00032 0.00015 -0.00000 -0.00000 184 3PZ -0.00000 -0.00000 -0.00000 0.00032 0.00105 185 4XX -0.00021 0.00001 0.00001 0.00000 -0.00000 186 4YY 0.00015 -0.00004 -0.00014 0.00000 0.00000 187 4ZZ -0.00003 0.00002 -0.00003 -0.00000 -0.00000 188 4XY -0.00016 -0.00003 0.00002 0.00000 -0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00000 0.00005 190 4YZ 0.00000 -0.00000 -0.00000 -0.00006 -0.00000 191 18 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 192 2S 0.00004 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 -0.00000 -0.00001 -0.00000 0.00000 194 2PY 0.00024 -0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00002 196 3S 0.00041 -0.00001 0.00000 0.00000 0.00000 197 3PX 0.00001 0.00000 -0.00008 -0.00000 0.00000 198 3PY 0.00081 -0.00002 0.00001 0.00000 0.00000 199 3PZ -0.00000 -0.00000 -0.00000 -0.00001 0.00021 200 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 201 4YY 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 202 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 204 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 205 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 206 19 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 207 2S -0.00003 -0.00000 0.00000 0.00000 -0.00000 208 20 H 1S -0.00003 0.00000 0.00006 0.00000 -0.00000 209 2S -0.00059 0.00007 0.00010 0.00000 -0.00000 210 21 H 1S 0.00360 -0.00072 0.00341 0.00000 0.00000 211 2S 0.00327 -0.00064 0.00064 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00008 0.00000 0.00000 213 2S 0.00019 0.00007 0.00031 0.00000 0.00000 214 23 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 215 2S -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 216 24 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 218 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 219 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 220 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 221 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 222 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 223 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 224 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 225 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 226 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 227 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 0.00000 0.00000 0.00000 233 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 234 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 235 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 236 3S 0.00000 0.00000 0.00000 0.00000 0.00000 237 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 238 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 239 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 240 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 241 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 242 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 243 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 244 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 245 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 252 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 253 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 254 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S 0.00000 0.00000 0.00000 0.00000 0.00000 267 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 268 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 269 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 282 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 283 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 284 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 0.00000 0.00000 0.00000 0.00000 293 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 294 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 295 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 296 3S 0.00000 0.00000 0.00000 0.00000 0.00000 297 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 298 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 299 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 300 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 301 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 303 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 307 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 315 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 17 C 1S 2.05309 177 2S -0.01402 0.33160 178 2PX 0.00000 0.00000 0.43184 179 2PY 0.00000 0.00000 -0.00000 0.42134 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.32817 181 3S -0.03106 0.20752 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.08015 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.07039 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.12117 185 4XX -0.00167 0.00267 0.00000 0.00000 0.00000 186 4YY -0.00128 -0.00337 0.00000 0.00000 0.00000 187 4ZZ -0.00090 -0.01136 0.00000 0.00000 0.00000 188 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 -0.00056 -0.00083 -0.00208 -0.00000 192 2S -0.00056 0.01132 0.01211 0.03206 0.00000 193 2PX -0.00060 0.00859 0.00034 0.02277 0.00000 194 2PY -0.00230 0.03390 0.02865 0.05166 0.00000 195 2PZ -0.00000 0.00000 0.00000 0.00000 0.02398 196 3S 0.00071 0.00535 0.01352 0.01123 0.00000 197 3PX -0.00037 0.00164 0.00128 0.01110 0.00000 198 3PY -0.00131 0.02182 0.00697 0.00590 0.00000 199 3PZ -0.00000 0.00000 0.00000 0.00000 0.03611 200 4XX 0.00000 -0.00033 -0.00039 -0.00048 -0.00000 201 4YY -0.00013 0.00174 0.00243 -0.00085 -0.00000 202 4ZZ 0.00000 -0.00035 -0.00025 -0.00052 0.00000 203 4XY -0.00016 0.00167 -0.00008 0.00201 0.00000 204 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00062 205 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00152 206 19 H 1S 0.00000 -0.00040 -0.00000 -0.00115 -0.00000 207 2S 0.00026 -0.00341 -0.00000 -0.00900 -0.00000 208 20 H 1S -0.00207 0.03285 0.10012 0.00025 0.00000 209 2S -0.00128 0.01286 0.05680 0.00018 -0.00000 210 21 H 1S 0.00000 -0.00018 -0.00000 -0.00070 -0.00000 211 2S 0.00018 -0.00244 0.00001 -0.00935 -0.00000 212 22 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00000 0.00015 0.00027 0.00026 0.00000 214 23 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 215 2S -0.00000 0.00002 0.00004 0.00000 -0.00000 216 24 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 217 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 218 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 219 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 220 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 221 3S -0.00000 0.00000 0.00000 0.00001 0.00000 222 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 223 3PY -0.00000 0.00000 -0.00000 0.00003 0.00000 224 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 225 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 226 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 227 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 229 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 231 25 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 2S -0.00000 0.00000 0.00000 0.00000 0.00000 233 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 234 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 235 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 236 3S -0.00000 0.00000 0.00000 0.00002 0.00000 237 3PX -0.00000 0.00000 -0.00000 0.00002 0.00000 238 3PY 0.00000 -0.00001 -0.00000 -0.00005 -0.00000 239 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 240 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 241 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 242 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 243 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 244 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 245 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 247 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 248 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 250 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 251 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 252 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 253 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 254 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 255 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 256 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 257 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 258 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 259 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 260 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 266 3S -0.00000 0.00000 0.00000 0.00000 0.00000 267 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 268 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 269 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 279 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 280 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 281 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 282 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 283 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 284 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 0.00000 0.00000 0.00000 0.00000 293 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 294 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 295 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 296 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 297 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 298 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 299 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 300 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 301 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 302 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 303 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 304 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 306 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 307 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 312 33 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 313 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 314 34 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 315 2S -0.00000 -0.00002 0.00000 -0.00011 -0.00000 181 182 183 184 185 181 3S 0.24394 182 3PX 0.00000 0.05299 183 3PY 0.00000 0.00000 0.04519 184 3PZ 0.00000 0.00000 0.00000 0.13913 185 4XX 0.00401 0.00000 0.00000 0.00000 0.00186 186 4YY -0.00352 0.00000 0.00000 0.00000 -0.00035 187 4ZZ -0.00710 0.00000 0.00000 0.00000 -0.00003 188 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 190 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 191 18 C 1S 0.00045 -0.00014 -0.00148 -0.00000 0.00001 192 2S 0.00605 0.00606 0.01645 0.00000 -0.00043 193 2PX 0.00454 -0.00132 0.01060 0.00000 -0.00031 194 2PY 0.02851 0.00730 0.00493 0.00000 0.00013 195 2PZ 0.00000 0.00000 0.00000 0.03399 -0.00000 196 3S -0.02090 0.00685 -0.00116 -0.00000 -0.00151 197 3PX -0.00389 0.00293 0.00443 0.00000 -0.00043 198 3PY 0.01357 0.00108 -0.00098 0.00000 0.00019 199 3PZ 0.00000 0.00000 0.00000 0.05591 0.00000 200 4XX -0.00067 -0.00068 -0.00055 -0.00000 0.00004 201 4YY 0.00142 0.00072 -0.00008 -0.00000 -0.00018 202 4ZZ -0.00044 -0.00016 -0.00046 -0.00000 0.00001 203 4XY 0.00081 0.00006 0.00008 0.00000 0.00003 204 4XZ 0.00000 0.00000 -0.00000 0.00043 0.00000 205 4YZ 0.00000 0.00000 -0.00000 0.00094 -0.00000 206 19 H 1S -0.00425 -0.00000 0.00020 0.00000 -0.00002 207 2S -0.01012 -0.00001 -0.00277 -0.00000 -0.00048 208 20 H 1S 0.04178 0.04994 0.00015 -0.00000 0.00749 209 2S 0.02652 0.04013 0.00019 -0.00000 0.00581 210 21 H 1S -0.00370 -0.00001 -0.00196 -0.00000 -0.00001 211 2S -0.01113 -0.00005 -0.00845 -0.00000 -0.00025 212 22 H 1S 0.00009 0.00002 0.00020 0.00000 -0.00000 213 2S 0.00114 0.00061 0.00176 0.00000 -0.00003 214 23 H 1S 0.00002 0.00003 0.00000 -0.00000 0.00000 215 2S 0.00047 0.00057 0.00001 -0.00000 0.00001 216 24 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 217 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 218 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 219 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 220 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 221 3S 0.00002 0.00002 0.00004 0.00000 -0.00000 222 3PX 0.00001 -0.00001 0.00002 0.00000 0.00000 223 3PY 0.00012 0.00002 0.00021 0.00000 0.00000 224 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 225 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 226 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 227 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 228 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 229 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 231 25 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 2S 0.00000 0.00000 0.00001 0.00000 0.00000 233 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 234 2PY 0.00004 0.00001 0.00008 0.00000 0.00000 235 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 236 3S 0.00019 0.00002 0.00030 0.00000 0.00000 237 3PX 0.00004 -0.00000 0.00009 0.00000 0.00000 238 3PY 0.00033 0.00006 0.00015 0.00000 0.00000 239 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 240 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 241 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 242 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 243 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 244 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 245 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 247 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 248 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 250 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 251 3S -0.00001 0.00000 -0.00002 -0.00000 -0.00000 252 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 253 3PY -0.00002 0.00000 -0.00004 -0.00000 -0.00000 254 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 255 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 256 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 258 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 259 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 260 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 261 27 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 266 3S 0.00000 0.00000 0.00000 0.00000 0.00000 267 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 268 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 269 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 272 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 273 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 275 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 276 28 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 282 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 283 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 284 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 285 4XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 287 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 292 2S 0.00000 0.00000 0.00000 0.00000 0.00000 293 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 294 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 295 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 296 3S 0.00000 0.00000 0.00000 0.00000 0.00000 297 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 298 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 299 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 300 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 301 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 303 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 304 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 306 30 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 307 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 0.00000 0.00000 0.00000 0.00000 310 32 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 311 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 312 33 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 313 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00014 0.00000 0.00027 0.00000 0.00000 315 2S 0.00104 0.00001 0.00087 0.00000 0.00000 186 187 188 189 190 186 4YY 0.00139 187 4ZZ 0.00010 0.00091 188 4XY -0.00000 0.00000 0.00117 189 4XZ -0.00000 0.00000 0.00000 0.00028 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00057 191 18 C 1S -0.00014 0.00000 -0.00016 -0.00000 -0.00000 192 2S 0.00185 -0.00035 0.00174 0.00000 0.00000 193 2PX 0.00240 -0.00021 -0.00001 -0.00000 0.00000 194 2PY -0.00167 -0.00065 0.00292 0.00000 -0.00000 195 2PZ -0.00000 0.00000 0.00000 0.00055 0.00133 196 3S 0.00247 -0.00041 0.00060 0.00000 0.00000 197 3PX 0.00082 -0.00004 -0.00008 -0.00000 0.00000 198 3PY -0.00101 -0.00062 0.00015 0.00000 -0.00000 199 3PZ -0.00000 -0.00000 -0.00000 0.00034 0.00090 200 4XX -0.00010 0.00000 -0.00000 -0.00000 -0.00000 201 4YY 0.00013 -0.00003 -0.00008 -0.00000 0.00000 202 4ZZ -0.00004 0.00002 -0.00003 0.00000 -0.00000 203 4XY -0.00025 -0.00003 0.00004 0.00000 -0.00000 204 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00004 205 4YZ 0.00000 -0.00000 -0.00000 0.00005 -0.00001 206 19 H 1S 0.00031 0.00000 -0.00000 -0.00000 0.00000 207 2S 0.00115 0.00004 -0.00001 -0.00000 0.00000 208 20 H 1S -0.00128 -0.00071 0.00005 -0.00000 -0.00000 209 2S -0.00306 -0.00063 0.00001 -0.00000 -0.00000 210 21 H 1S 0.00011 0.00000 -0.00001 -0.00000 0.00000 211 2S 0.00054 0.00007 -0.00004 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 213 2S 0.00001 -0.00000 -0.00000 -0.00000 0.00000 214 23 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 215 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 216 24 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 217 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 219 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 220 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 221 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 222 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 223 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 224 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 225 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 226 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 227 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 228 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 229 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 230 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 231 25 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 232 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 233 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 234 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 235 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 236 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 237 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 238 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 239 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 240 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 241 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 242 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 243 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 244 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 245 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 248 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 250 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 252 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 256 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 257 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 258 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 259 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 260 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 267 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 268 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 269 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 270 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 282 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 283 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 284 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 285 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 292 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 293 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 294 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 295 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 296 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 297 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 298 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 299 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 300 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 301 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 303 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 304 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 307 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S 0.00000 0.00000 0.00000 0.00000 0.00000 314 34 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 315 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 191 192 193 194 195 191 18 C 1S 2.05345 192 2S -0.01436 0.33572 193 2PX 0.00000 0.00000 0.41820 194 2PY 0.00000 0.00000 -0.00000 0.45152 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.31455 196 3S -0.03280 0.22693 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.07174 -0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.09008 0.00000 199 3PZ 0.00000 0.00000 -0.00000 0.00000 0.12076 200 4XX -0.00148 0.00015 0.00000 0.00000 0.00000 201 4YY -0.00149 -0.00013 0.00000 0.00000 0.00000 202 4ZZ -0.00089 -0.01155 0.00000 0.00000 0.00000 203 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 205 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 206 19 H 1S -0.00235 0.03525 0.04154 0.06968 0.00000 207 2S -0.00042 0.00818 0.02577 0.03473 0.00000 208 20 H 1S 0.00000 -0.00026 -0.00051 -0.00022 -0.00000 209 2S 0.00026 -0.00377 -0.00627 -0.00254 -0.00000 210 21 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 0.00011 0.00003 0.00047 0.00000 212 22 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 -0.00000 -0.00001 0.00001 0.00000 214 23 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00001 0.00021 0.00071 0.00006 0.00000 216 24 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 218 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 219 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 220 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 221 3S 0.00000 -0.00008 -0.00026 -0.00057 -0.00000 222 3PX 0.00000 -0.00012 0.00005 -0.00040 -0.00000 223 3PY 0.00001 -0.00028 -0.00079 -0.00164 -0.00000 224 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00016 225 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 226 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 227 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 228 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 229 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 230 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 231 25 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 -0.00000 -0.00000 -0.00002 -0.00000 233 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 234 2PY 0.00000 -0.00002 -0.00000 -0.00015 -0.00000 235 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 236 3S 0.00001 -0.00022 -0.00000 -0.00188 -0.00000 237 3PX -0.00000 0.00000 -0.00010 0.00000 0.00000 238 3PY 0.00003 -0.00047 -0.00000 0.00044 0.00000 239 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00006 240 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 241 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 242 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 243 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 244 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 245 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 246 26 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 247 2S -0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 249 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 251 3S -0.00000 0.00000 -0.00000 0.00004 0.00000 252 3PX -0.00000 0.00000 0.00000 0.00001 0.00000 253 3PY -0.00000 0.00001 0.00000 0.00008 0.00000 254 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 255 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 257 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 258 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 260 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 264 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 265 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 266 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 267 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 268 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 269 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 270 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 271 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 272 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 273 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 278 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 279 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 280 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 281 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 282 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 283 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 284 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 285 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 288 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 289 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 290 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 291 29 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 292 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 293 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 294 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 295 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 296 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 297 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 298 3PY 0.00000 -0.00000 0.00000 -0.00001 -0.00000 299 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 300 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 301 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 302 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 303 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 304 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 305 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 306 30 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 307 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 308 31 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 309 2S -0.00000 0.00000 0.00000 0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 0.00000 0.00000 0.00000 0.00000 312 33 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 0.00000 0.00000 0.00000 0.00000 314 34 H 1S 0.00000 -0.00009 -0.00004 -0.00028 -0.00000 315 2S 0.00002 -0.00107 -0.00064 -0.00057 -0.00000 196 197 198 199 200 196 3S 0.29448 197 3PX 0.00000 0.06189 198 3PY 0.00000 0.00000 0.07007 199 3PZ 0.00000 0.00000 0.00000 0.14447 200 4XX 0.00090 0.00000 0.00000 0.00000 0.00104 201 4YY -0.00001 0.00000 0.00000 0.00000 -0.00014 202 4ZZ -0.00778 0.00000 0.00000 0.00000 0.00002 203 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 205 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 206 19 H 1S 0.03662 0.01313 0.03721 0.00000 -0.00005 207 2S 0.00065 0.01169 0.02666 0.00000 -0.00027 208 20 H 1S -0.00475 0.00003 -0.00021 -0.00000 0.00010 209 2S -0.01359 -0.00370 -0.00225 -0.00000 0.00081 210 21 H 1S 0.00008 0.00005 0.00020 0.00000 -0.00000 211 2S 0.00095 0.00037 0.00240 0.00000 -0.00000 212 22 H 1S 0.00001 -0.00000 0.00001 0.00000 -0.00000 213 2S 0.00024 0.00000 0.00016 0.00000 -0.00000 214 23 H 1S 0.00008 0.00012 -0.00008 -0.00000 -0.00000 215 2S 0.00167 0.00250 -0.00044 -0.00000 -0.00001 216 24 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S -0.00006 -0.00009 0.00002 0.00000 -0.00000 218 2PX -0.00001 0.00006 0.00060 0.00000 0.00000 219 2PY -0.00029 -0.00024 -0.00002 0.00000 -0.00000 220 2PZ -0.00000 -0.00000 0.00000 -0.00010 -0.00000 221 3S -0.00167 -0.00158 -0.00222 -0.00000 -0.00000 222 3PX -0.00002 -0.00002 -0.00091 -0.00000 0.00000 223 3PY -0.00359 -0.00269 -0.00317 -0.00000 -0.00001 224 3PZ -0.00000 -0.00000 -0.00000 -0.00071 -0.00000 225 4XX 0.00001 0.00001 0.00000 0.00000 -0.00000 226 4YY -0.00002 -0.00003 -0.00001 -0.00000 0.00000 227 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 228 4XY -0.00002 0.00002 0.00000 0.00000 -0.00000 229 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 230 4YZ -0.00000 -0.00000 -0.00000 0.00001 0.00000 231 25 C 1S 0.00001 0.00000 0.00003 0.00000 0.00000 232 2S -0.00022 -0.00000 -0.00047 -0.00000 -0.00000 233 2PX 0.00000 -0.00010 0.00000 0.00000 -0.00000 234 2PY -0.00188 -0.00000 0.00044 0.00000 -0.00000 235 2PZ -0.00000 -0.00000 0.00000 -0.00006 -0.00000 236 3S -0.00183 -0.00000 -0.00303 -0.00000 -0.00001 237 3PX 0.00000 0.00012 0.00000 0.00000 0.00000 238 3PY -0.00303 -0.00000 0.00425 0.00000 -0.00001 239 3PZ -0.00000 -0.00000 0.00000 0.00029 -0.00000 240 4XX -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 241 4YY -0.00002 -0.00000 -0.00006 -0.00000 -0.00000 242 4ZZ 0.00001 0.00000 -0.00000 -0.00000 0.00000 243 4XY 0.00000 -0.00005 0.00000 0.00000 -0.00000 244 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 245 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 246 26 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 247 2S 0.00000 0.00000 -0.00001 -0.00000 0.00000 248 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 2PY 0.00002 0.00002 -0.00005 -0.00000 0.00000 250 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 251 3S 0.00019 0.00004 0.00033 0.00000 0.00000 252 3PX 0.00002 -0.00000 0.00006 0.00000 0.00000 253 3PY 0.00030 0.00009 0.00015 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 257 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 258 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 259 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 260 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 261 27 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 262 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 263 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 264 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 265 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 266 3S -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 267 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 3PY -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 269 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 270 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 271 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 273 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 274 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 275 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 277 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 278 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 279 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 280 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 282 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 283 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 284 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 285 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 286 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 287 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 288 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 289 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 290 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 291 29 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 292 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 293 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 294 2PY 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 295 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 296 3S -0.00003 -0.00002 -0.00007 -0.00000 -0.00000 297 3PX -0.00002 -0.00001 0.00000 0.00000 0.00000 298 3PY -0.00002 0.00001 -0.00024 -0.00000 -0.00000 299 3PZ -0.00000 0.00000 -0.00000 -0.00003 -0.00000 300 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 301 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 302 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 303 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 304 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 305 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 306 30 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 307 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 308 31 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 309 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 310 32 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 311 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 312 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 313 2S 0.00002 0.00001 0.00005 0.00000 0.00000 314 34 H 1S -0.00275 -0.00244 0.00055 0.00000 -0.00000 315 2S -0.00605 -0.00438 0.00225 0.00000 -0.00007 201 202 203 204 205 201 4YY 0.00099 202 4ZZ 0.00003 0.00094 203 4XY -0.00000 0.00000 0.00176 204 4XZ -0.00000 0.00000 0.00000 0.00060 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00038 206 19 H 1S 0.00203 -0.00082 0.00487 0.00000 0.00000 207 2S 0.00234 -0.00066 0.00091 -0.00000 0.00000 208 20 H 1S -0.00003 0.00000 0.00008 0.00000 -0.00000 209 2S -0.00053 0.00009 0.00020 0.00000 -0.00000 210 21 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 211 2S -0.00001 -0.00000 0.00000 0.00000 -0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 214 23 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 215 2S -0.00001 -0.00000 -0.00002 -0.00000 -0.00000 216 24 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 217 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 218 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 219 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 220 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 221 3S 0.00001 0.00000 -0.00001 -0.00000 0.00000 222 3PX -0.00001 0.00001 0.00002 0.00000 0.00000 223 3PY 0.00001 0.00001 0.00002 0.00000 0.00000 224 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 225 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 227 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 228 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 229 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 230 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 232 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 233 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 234 2PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 235 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 236 3S -0.00002 0.00001 -0.00000 0.00000 -0.00000 237 3PX 0.00000 -0.00000 -0.00005 -0.00000 -0.00000 238 3PY -0.00006 -0.00000 -0.00000 0.00000 -0.00000 239 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 240 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 241 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 242 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 243 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 244 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 245 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 246 26 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 247 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 251 3S 0.00000 -0.00000 0.00000 0.00000 -0.00000 252 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 253 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 254 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 256 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 257 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 258 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 263 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 264 2PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 265 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 266 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 267 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 268 3PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 269 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 270 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 272 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 273 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 274 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 275 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 279 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 280 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 281 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 282 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 283 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 284 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 285 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 286 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 287 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 288 4XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 289 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 290 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 291 29 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 292 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 293 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 294 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 295 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 296 3S -0.00000 0.00000 0.00000 0.00000 0.00000 297 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 298 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 299 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 300 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 301 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 302 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 303 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 304 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 305 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 306 30 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 307 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 310 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 312 33 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 313 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 314 34 H 1S -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 315 2S -0.00005 -0.00001 -0.00003 -0.00000 -0.00000 206 207 208 209 210 206 19 H 1S 0.23200 207 2S 0.10596 0.14120 208 20 H 1S -0.00005 -0.00139 0.21552 209 2S -0.00167 -0.00559 0.09907 0.12096 210 21 H 1S -0.00000 -0.00000 -0.00001 -0.00061 0.21451 211 2S -0.00000 -0.00020 -0.00061 -0.00261 0.09554 212 22 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00001 213 2S 0.00000 0.00001 -0.00000 -0.00018 -0.00061 214 23 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 215 2S -0.00000 -0.00028 0.00000 0.00001 -0.00000 216 24 C 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 217 2S 0.00000 0.00015 -0.00000 -0.00000 -0.00000 218 2PX -0.00000 0.00012 -0.00000 -0.00000 0.00000 219 2PY 0.00000 0.00028 -0.00000 -0.00000 -0.00000 220 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 221 3S -0.00018 0.00033 -0.00000 -0.00000 -0.00000 222 3PX -0.00081 -0.00268 0.00000 0.00000 0.00000 223 3PY -0.00048 -0.00066 0.00000 0.00000 0.00000 224 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 225 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 226 4YY 0.00000 -0.00001 -0.00000 -0.00000 0.00000 227 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 228 4XY -0.00000 -0.00002 0.00000 0.00000 0.00000 229 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 230 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 231 25 C 1S 0.00000 0.00002 -0.00000 -0.00000 0.00000 232 2S -0.00009 -0.00107 0.00000 0.00000 0.00000 233 2PX -0.00004 -0.00064 0.00000 0.00000 0.00000 234 2PY -0.00028 -0.00057 0.00000 0.00000 0.00000 235 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 236 3S -0.00275 -0.00605 0.00000 0.00002 0.00000 237 3PX -0.00244 -0.00438 0.00000 0.00001 0.00000 238 3PY 0.00055 0.00225 0.00000 0.00005 -0.00000 239 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 240 4XX -0.00000 -0.00007 0.00000 0.00000 0.00000 241 4YY -0.00000 -0.00005 0.00000 0.00000 0.00000 242 4ZZ -0.00000 -0.00001 -0.00000 -0.00000 0.00000 243 4XY -0.00001 -0.00003 0.00000 0.00000 0.00000 244 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 245 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 246 26 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 -0.00002 -0.00000 -0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 -0.00011 -0.00000 -0.00000 0.00000 250 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 251 3S 0.00014 0.00104 -0.00000 -0.00000 -0.00000 252 3PX 0.00000 0.00001 0.00000 0.00000 -0.00000 253 3PY 0.00027 0.00087 -0.00000 -0.00000 -0.00000 254 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 255 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 256 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 257 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 262 2S -0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 264 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 265 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 266 3S -0.00000 -0.00002 0.00000 0.00000 0.00000 267 3PX 0.00000 0.00001 -0.00000 0.00000 -0.00000 268 3PY -0.00000 -0.00004 0.00000 0.00000 0.00000 269 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 270 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 271 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 272 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 273 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 276 28 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 277 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 278 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 279 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 280 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 281 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 282 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 283 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 284 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 285 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 286 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 287 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 291 29 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 292 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 293 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 294 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 295 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 296 3S -0.00000 -0.00011 0.00000 0.00000 0.00000 297 3PX -0.00000 -0.00004 0.00000 0.00000 0.00000 298 3PY -0.00001 -0.00019 0.00000 0.00000 0.00000 299 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 300 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 301 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 303 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 304 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 305 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 307 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 310 32 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 311 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 312 33 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 313 2S 0.00001 0.00010 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00141 0.00359 0.00000 0.00001 0.00000 315 2S 0.00359 0.00239 -0.00000 0.00010 0.00000 211 212 213 214 215 211 2S 0.11572 212 22 H 1S -0.00061 0.21552 213 2S -0.00261 0.09907 0.12096 214 23 H 1S -0.00000 -0.00005 -0.00167 0.23200 215 2S -0.00020 -0.00139 -0.00559 0.10596 0.14120 216 24 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 217 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 218 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 219 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 220 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 221 3S -0.00000 0.00000 0.00000 0.00000 -0.00001 222 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 223 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 224 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 226 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 227 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 228 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 229 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 230 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 231 25 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 232 2S 0.00000 0.00000 0.00000 0.00000 0.00000 233 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 234 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 235 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 236 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 237 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 238 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 239 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 240 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 241 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 242 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 243 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 244 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 245 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 246 26 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 247 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 248 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 249 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 251 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 252 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 253 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 254 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 255 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 258 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 259 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 264 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 265 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 266 3S 0.00000 0.00000 0.00000 0.00000 0.00000 267 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 268 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 269 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 270 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 271 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 272 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 276 28 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 277 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 278 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 279 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 280 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 281 3S -0.00000 0.00000 0.00000 0.00000 0.00000 282 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 283 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 284 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 285 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 286 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 287 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 288 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 290 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 291 29 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 293 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 294 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 295 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 296 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 297 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 298 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 299 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 300 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 301 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 302 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 303 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 304 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 307 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 309 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 310 32 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 311 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 312 33 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 313 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 315 2S 0.00000 0.00000 0.00000 0.00000 0.00000 216 217 218 219 220 216 24 C 1S 2.05001 217 2S -0.01361 0.33248 218 2PX 0.00000 0.00000 0.41741 219 2PY 0.00000 0.00000 -0.00000 0.39494 220 2PZ 0.00000 0.00000 -0.00000 0.00000 0.35424 221 3S -0.03220 0.22348 0.00000 0.00000 0.00000 222 3PX 0.00000 0.00000 0.04931 -0.00000 -0.00000 223 3PY 0.00000 0.00000 -0.00000 0.04293 0.00000 224 3PZ 0.00000 0.00000 -0.00000 0.00000 0.12858 225 4XX -0.00134 -0.00202 0.00000 0.00000 0.00000 226 4YY -0.00144 -0.00042 0.00000 0.00000 0.00000 227 4ZZ -0.00087 -0.01100 0.00000 0.00000 0.00000 228 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 229 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 230 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 231 25 C 1S 0.00000 -0.00041 -0.00229 -0.00000 0.00000 232 2S -0.00039 0.00931 0.03704 -0.00009 -0.00000 233 2PX -0.00216 0.03654 0.09268 0.00003 -0.00000 234 2PY -0.00002 0.00044 0.00126 0.00139 0.00000 235 2PZ -0.00000 0.00000 0.00000 0.00000 0.01628 236 3S -0.00041 0.01239 0.04861 0.00026 -0.00000 237 3PX -0.00087 0.01719 0.01940 0.00014 -0.00000 238 3PY 0.00004 -0.00052 0.00106 0.00894 0.00000 239 3PZ 0.00000 -0.00000 0.00000 0.00000 0.02498 240 4XX -0.00020 0.00316 0.00218 0.00021 0.00000 241 4YY 0.00000 -0.00044 -0.00117 0.00001 0.00000 242 4ZZ 0.00000 -0.00030 -0.00075 -0.00001 0.00000 243 4XY -0.00000 0.00004 0.00028 0.00157 0.00000 244 4XZ -0.00000 0.00000 0.00000 0.00000 0.00179 245 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00003 246 26 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 -0.00004 -0.00015 -0.00003 -0.00000 248 2PX 0.00000 -0.00016 -0.00041 -0.00006 -0.00000 249 2PY 0.00000 -0.00009 -0.00020 -0.00004 0.00000 250 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 251 3S 0.00001 -0.00073 -0.00144 -0.00139 -0.00000 252 3PX 0.00001 -0.00116 -0.00104 -0.00141 -0.00000 253 3PY 0.00009 -0.00135 -0.00208 -0.00044 -0.00000 254 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00079 255 4XX -0.00000 0.00001 0.00007 -0.00000 -0.00000 256 4YY 0.00000 -0.00000 -0.00002 0.00000 -0.00000 257 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 258 4XY -0.00000 0.00000 0.00004 0.00000 -0.00000 259 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 260 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00001 261 27 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 263 2PX 0.00000 -0.00000 0.00001 -0.00002 -0.00000 264 2PY 0.00000 -0.00001 -0.00002 -0.00001 0.00000 265 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00001 266 3S 0.00002 -0.00037 -0.00013 -0.00040 -0.00000 267 3PX 0.00001 -0.00013 0.00015 -0.00038 -0.00000 268 3PY 0.00003 -0.00039 -0.00038 0.00008 0.00000 269 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00081 270 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 271 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 272 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 273 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 274 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 275 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 276 28 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 277 2S 0.00000 -0.00004 0.00000 -0.00019 -0.00000 278 2PX 0.00000 -0.00000 0.00001 -0.00000 -0.00000 279 2PY 0.00000 -0.00025 0.00001 -0.00072 -0.00000 280 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00002 281 3S 0.00001 -0.00073 -0.00005 -0.00278 -0.00000 282 3PX 0.00001 -0.00006 0.00000 -0.00013 -0.00000 283 3PY 0.00010 -0.00245 -0.00008 -0.00477 -0.00000 284 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00079 285 4XX 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 286 4YY -0.00000 0.00002 -0.00000 0.00011 0.00000 287 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 288 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 289 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 290 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00001 291 29 C 1S 0.00000 -0.00041 -0.00047 -0.00183 -0.00000 292 2S -0.00039 0.00931 0.00797 0.02898 0.00000 293 2PX -0.00036 0.00598 -0.00121 0.01726 0.00000 294 2PY -0.00183 0.03101 0.02183 0.05747 0.00000 295 2PZ -0.00000 0.00000 0.00000 0.00000 0.01628 296 3S -0.00041 0.01239 0.00909 0.03978 0.00000 297 3PX -0.00031 0.00538 0.00286 0.00666 0.00000 298 3PY -0.00052 0.01129 0.01006 0.00995 0.00000 299 3PZ -0.00000 0.00000 0.00000 0.00000 0.02498 300 4XX 0.00000 -0.00028 -0.00009 -0.00068 -0.00000 301 4YY -0.00012 0.00192 0.00155 0.00048 -0.00000 302 4ZZ 0.00000 -0.00030 -0.00012 -0.00064 0.00000 303 4XY -0.00008 0.00112 0.00008 0.00175 0.00000 304 4XZ -0.00000 0.00000 0.00000 0.00000 0.00027 305 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00154 306 30 H 1S 0.00000 -0.00014 -0.00036 -0.00032 -0.00000 307 2S 0.00016 -0.00242 -0.00791 -0.00448 -0.00000 308 31 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 0.00009 0.00003 0.00030 0.00000 310 32 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 312 33 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 313 2S -0.00000 0.00009 0.00033 -0.00000 -0.00000 314 34 H 1S 0.00000 -0.00014 -0.00063 -0.00006 -0.00000 315 2S 0.00016 -0.00242 -0.01058 -0.00181 -0.00000 221 222 223 224 225 221 3S 0.32445 222 3PX 0.00000 0.05421 223 3PY 0.00000 -0.00000 0.05185 224 3PZ 0.00000 -0.00000 0.00000 0.14580 225 4XX -0.00215 0.00000 0.00000 0.00000 0.00124 226 4YY 0.00028 0.00000 0.00000 0.00000 -0.00026 227 4ZZ -0.00730 0.00000 0.00000 0.00000 0.00008 228 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 229 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 230 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 231 25 C 1S 0.00059 -0.00089 0.00002 0.00000 -0.00023 232 2S 0.00074 0.01562 0.00050 0.00000 0.00343 233 2PX 0.03068 0.01034 -0.00130 -0.00000 0.00255 234 2PY 0.00026 -0.00092 0.00199 0.00000 0.00011 235 2PZ 0.00000 -0.00000 0.00000 0.02449 0.00000 236 3S 0.00166 0.01128 0.00040 0.00000 0.00431 237 3PX 0.00461 0.00004 0.00018 0.00000 0.00118 238 3PY -0.00150 -0.00018 -0.00209 0.00000 0.00016 239 3PZ -0.00000 -0.00000 0.00000 0.03870 0.00000 240 4XX 0.00349 0.00051 -0.00009 -0.00000 0.00000 241 4YY -0.00157 -0.00126 0.00002 -0.00000 -0.00002 242 4ZZ -0.00027 -0.00033 -0.00002 -0.00000 -0.00006 243 4XY 0.00007 0.00005 0.00046 0.00000 0.00001 244 4XZ 0.00000 0.00000 0.00000 0.00125 0.00000 245 4YZ -0.00000 -0.00000 -0.00000 0.00003 -0.00000 246 26 C 1S -0.00000 -0.00009 -0.00003 -0.00000 -0.00000 247 2S -0.00064 -0.00009 -0.00037 -0.00000 0.00000 248 2PX -0.00451 -0.00373 0.00172 0.00000 0.00002 249 2PY -0.00033 0.00331 0.00019 0.00000 0.00001 250 2PZ -0.00000 0.00000 0.00000 -0.00076 0.00000 251 3S -0.00265 0.00049 0.00004 0.00000 0.00003 252 3PX -0.00868 -0.00228 0.00192 0.00000 0.00012 253 3PY -0.00304 0.00182 0.00005 -0.00000 -0.00000 254 3PZ -0.00000 0.00000 -0.00000 -0.00377 -0.00000 255 4XX 0.00024 0.00049 -0.00023 -0.00000 0.00000 256 4YY -0.00014 -0.00026 0.00009 -0.00000 0.00000 257 4ZZ 0.00003 -0.00002 0.00001 -0.00000 -0.00000 258 4XY 0.00005 0.00013 0.00003 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 260 4YZ -0.00000 -0.00000 -0.00000 0.00011 0.00000 261 27 C 1S 0.00002 0.00002 0.00006 0.00000 -0.00000 262 2S -0.00052 -0.00029 -0.00088 -0.00000 0.00000 263 2PX -0.00039 0.00035 -0.00130 -0.00000 0.00000 264 2PY -0.00118 -0.00130 -0.00045 0.00000 -0.00000 265 2PZ -0.00000 -0.00000 0.00000 -0.00085 -0.00000 266 3S -0.00285 -0.00084 -0.00253 -0.00000 0.00002 267 3PX -0.00085 0.00040 -0.00269 -0.00000 0.00002 268 3PY -0.00256 -0.00269 -0.00034 0.00000 -0.00003 269 3PZ -0.00000 -0.00000 0.00000 -0.00475 -0.00000 270 4XX 0.00002 0.00002 -0.00005 -0.00000 -0.00000 271 4YY -0.00001 -0.00004 0.00010 0.00000 0.00000 272 4ZZ 0.00001 0.00001 0.00002 0.00000 -0.00000 273 4XY -0.00002 0.00002 0.00002 0.00000 -0.00000 274 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 275 4YZ 0.00000 -0.00000 0.00000 -0.00001 0.00000 276 28 C 1S -0.00000 0.00000 -0.00013 -0.00000 0.00000 277 2S -0.00064 -0.00002 -0.00044 -0.00000 -0.00000 278 2PX 0.00008 0.00089 0.00030 0.00000 0.00000 279 2PY -0.00491 0.00017 0.00012 0.00000 -0.00001 280 2PZ -0.00000 0.00000 0.00000 -0.00076 -0.00000 281 3S -0.00265 -0.00001 0.00054 0.00000 -0.00009 282 3PX 0.00001 0.00079 0.00019 0.00000 -0.00000 283 3PY -0.01173 0.00020 0.00033 0.00000 -0.00013 284 3PZ -0.00000 0.00000 0.00000 -0.00377 -0.00000 285 4XX -0.00008 0.00000 -0.00020 -0.00000 0.00000 286 4YY 0.00024 -0.00002 0.00059 -0.00000 -0.00000 287 4ZZ 0.00003 0.00000 -0.00001 -0.00000 0.00000 288 4XY -0.00001 -0.00012 -0.00000 -0.00000 -0.00000 289 4XZ -0.00000 -0.00000 -0.00000 0.00001 -0.00000 290 4YZ 0.00000 -0.00000 0.00000 0.00012 -0.00000 291 29 C 1S 0.00059 -0.00026 -0.00061 -0.00000 0.00001 292 2S 0.00074 0.00146 0.01466 0.00000 -0.00041 293 2PX 0.00539 -0.00417 0.00552 0.00000 -0.00010 294 2PY 0.02555 0.00695 0.00182 -0.00000 -0.00072 295 2PZ 0.00000 0.00000 -0.00000 0.02449 -0.00000 296 3S 0.00166 0.00093 0.01074 0.00000 -0.00109 297 3PX 0.00622 -0.00130 0.00027 0.00000 -0.00036 298 3PY -0.00310 -0.00105 0.00002 0.00000 -0.00080 299 3PZ -0.00000 -0.00000 0.00000 0.03870 -0.00000 300 4XX -0.00137 -0.00049 -0.00098 -0.00000 0.00003 301 4YY 0.00293 0.00093 0.00020 -0.00000 -0.00011 302 4ZZ -0.00027 0.00001 -0.00036 -0.00000 0.00000 303 4XY 0.00043 0.00001 0.00003 -0.00000 -0.00000 304 4XZ 0.00000 0.00000 -0.00000 0.00017 -0.00000 305 4YZ 0.00000 0.00000 -0.00000 0.00111 -0.00000 306 30 H 1S -0.00310 -0.00413 -0.00202 -0.00000 0.00005 307 2S -0.01055 -0.01208 -0.00671 -0.00000 0.00075 308 31 H 1S 0.00011 0.00004 0.00015 0.00000 -0.00000 309 2S 0.00123 0.00035 0.00143 0.00000 -0.00000 310 32 H 1S 0.00001 0.00000 0.00001 0.00000 -0.00000 311 2S 0.00014 0.00010 0.00029 0.00000 -0.00000 312 33 H 1S 0.00011 0.00025 -0.00006 -0.00000 -0.00000 313 2S 0.00123 0.00230 -0.00052 -0.00000 -0.00000 314 34 H 1S -0.00310 -0.00513 -0.00102 -0.00000 0.00003 315 2S -0.01055 -0.01600 -0.00279 -0.00000 -0.00028 226 227 228 229 230 226 4YY 0.00130 227 4ZZ 0.00003 0.00084 228 4XY 0.00000 -0.00000 0.00134 229 4XZ -0.00000 -0.00000 0.00000 0.00060 230 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00045 231 25 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 232 2S -0.00054 -0.00027 0.00006 0.00000 -0.00000 233 2PX -0.00135 -0.00068 0.00023 0.00000 -0.00000 234 2PY 0.00001 -0.00000 0.00181 0.00000 0.00000 235 2PZ 0.00000 -0.00000 0.00000 0.00167 -0.00002 236 3S -0.00219 -0.00069 0.00001 -0.00000 -0.00000 237 3PX -0.00175 -0.00047 0.00002 0.00000 -0.00000 238 3PY -0.00006 0.00003 0.00058 0.00000 -0.00000 239 3PZ -0.00000 0.00000 0.00000 0.00125 -0.00003 240 4XX -0.00002 -0.00006 -0.00002 -0.00000 -0.00000 241 4YY 0.00002 0.00000 0.00000 -0.00000 0.00000 242 4ZZ 0.00001 0.00001 -0.00000 -0.00000 0.00000 243 4XY 0.00000 -0.00000 -0.00025 -0.00000 0.00000 244 4XZ 0.00000 0.00000 -0.00000 -0.00005 0.00001 245 4YZ 0.00000 0.00000 -0.00000 -0.00001 0.00000 246 26 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 247 2S 0.00000 0.00000 0.00001 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00004 0.00000 0.00000 249 2PY 0.00000 -0.00000 0.00003 0.00000 0.00000 250 2PZ 0.00000 -0.00000 0.00000 0.00002 -0.00000 251 3S -0.00003 0.00002 0.00010 0.00000 -0.00000 252 3PX -0.00003 0.00003 0.00010 0.00000 -0.00000 253 3PY 0.00006 0.00002 0.00006 -0.00000 0.00000 254 3PZ 0.00000 0.00000 -0.00000 0.00020 -0.00003 255 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 256 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 257 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 258 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 259 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 261 27 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 262 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 263 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 264 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 265 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 266 3S -0.00001 0.00001 -0.00002 -0.00000 0.00000 267 3PX -0.00005 0.00000 0.00001 0.00000 -0.00000 268 3PY 0.00005 0.00001 -0.00002 -0.00000 0.00000 269 3PZ -0.00000 -0.00000 -0.00000 0.00001 0.00002 270 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 271 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 272 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 273 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 275 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 276 28 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 2S 0.00002 0.00000 0.00000 0.00000 0.00000 278 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 279 2PY 0.00012 0.00000 0.00000 0.00000 0.00000 280 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00001 281 3S 0.00018 0.00002 0.00000 0.00000 0.00000 282 3PX 0.00001 0.00000 -0.00005 -0.00000 0.00000 283 3PY 0.00047 0.00005 0.00001 0.00000 0.00000 284 3PZ -0.00000 -0.00000 0.00000 -0.00001 0.00018 285 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 286 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 287 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 288 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 289 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 290 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 291 29 C 1S -0.00014 0.00000 -0.00010 -0.00000 -0.00000 292 2S 0.00212 -0.00027 0.00124 0.00000 0.00000 293 2PX 0.00202 -0.00013 0.00007 0.00000 0.00000 294 2PY -0.00002 -0.00055 0.00209 0.00000 -0.00000 295 2PZ -0.00000 0.00000 0.00000 0.00043 0.00122 296 3S 0.00252 -0.00069 0.00071 0.00000 0.00000 297 3PX 0.00053 -0.00019 0.00021 0.00000 0.00000 298 3PY 0.00032 -0.00026 0.00021 0.00000 -0.00000 299 3PZ -0.00000 -0.00000 0.00000 0.00035 0.00088 300 4XX -0.00015 0.00000 -0.00000 -0.00000 -0.00000 301 4YY 0.00013 -0.00003 -0.00006 0.00000 0.00000 302 4ZZ -0.00003 0.00001 -0.00002 -0.00000 -0.00000 303 4XY -0.00012 -0.00002 -0.00000 -0.00000 -0.00000 304 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00002 305 4YZ 0.00000 -0.00000 -0.00000 -0.00004 -0.00004 306 30 H 1S -0.00003 0.00000 0.00005 0.00000 -0.00000 307 2S -0.00060 0.00006 0.00004 0.00000 -0.00000 308 31 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 309 2S -0.00001 -0.00000 0.00000 0.00000 -0.00000 310 32 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 311 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 312 33 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 313 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 0.00004 0.00000 0.00000 315 2S 0.00025 0.00006 0.00023 0.00000 0.00000 231 232 233 234 235 231 25 C 1S 2.05345 232 2S -0.01436 0.33572 233 2PX 0.00000 0.00000 0.41820 234 2PY 0.00000 0.00000 -0.00000 0.45152 235 2PZ 0.00000 0.00000 -0.00000 0.00000 0.31455 236 3S -0.03280 0.22693 0.00000 0.00000 0.00000 237 3PX 0.00000 0.00000 0.07174 -0.00000 -0.00000 238 3PY 0.00000 0.00000 -0.00000 0.09008 0.00000 239 3PZ 0.00000 0.00000 -0.00000 0.00000 0.12076 240 4XX -0.00148 0.00015 0.00000 0.00000 0.00000 241 4YY -0.00149 -0.00013 0.00000 0.00000 0.00000 242 4ZZ -0.00089 -0.01155 0.00000 0.00000 0.00000 243 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 244 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 245 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 246 26 C 1S 0.00000 -0.00056 -0.00060 -0.00230 -0.00000 247 2S -0.00056 0.01132 0.00859 0.03390 0.00000 248 2PX -0.00083 0.01211 0.00034 0.02865 0.00000 249 2PY -0.00208 0.03206 0.02277 0.05166 0.00000 250 2PZ -0.00000 0.00000 0.00000 0.00000 0.02398 251 3S 0.00045 0.00605 0.00454 0.02851 0.00000 252 3PX -0.00014 0.00606 -0.00132 0.00730 0.00000 253 3PY -0.00148 0.01645 0.01060 0.00493 -0.00000 254 3PZ -0.00000 0.00000 0.00000 -0.00000 0.03399 255 4XX 0.00001 -0.00043 -0.00031 0.00013 0.00000 256 4YY -0.00014 0.00185 0.00240 -0.00167 -0.00000 257 4ZZ 0.00000 -0.00035 -0.00021 -0.00065 0.00000 258 4XY -0.00016 0.00174 -0.00001 0.00292 0.00000 259 4XZ -0.00000 0.00000 0.00000 0.00000 0.00055 260 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00133 261 27 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 -0.00008 -0.00000 -0.00044 -0.00000 263 2PX -0.00000 0.00000 0.00002 0.00001 0.00000 264 2PY 0.00000 -0.00035 -0.00000 -0.00123 -0.00000 265 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00004 266 3S -0.00007 0.00030 0.00003 -0.00328 -0.00000 267 3PX -0.00000 0.00003 0.00043 0.00018 0.00000 268 3PY -0.00008 -0.00085 0.00005 -0.00398 -0.00000 269 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00014 270 4XX 0.00000 -0.00000 0.00000 -0.00001 -0.00000 271 4YY -0.00000 0.00004 0.00000 0.00024 0.00000 272 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 273 4XY -0.00000 0.00000 -0.00001 0.00000 0.00000 274 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 275 4YZ -0.00000 0.00000 0.00000 0.00000 0.00002 276 28 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 -0.00002 -0.00001 -0.00004 -0.00000 278 2PX 0.00000 -0.00001 0.00002 -0.00007 -0.00000 279 2PY 0.00000 -0.00004 -0.00006 -0.00005 0.00000 280 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00005 281 3S 0.00006 -0.00110 -0.00056 -0.00199 -0.00000 282 3PX 0.00004 -0.00040 0.00010 -0.00125 -0.00000 283 3PY 0.00010 -0.00124 -0.00094 -0.00072 0.00000 284 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00167 285 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 286 4YY 0.00000 -0.00000 -0.00000 0.00001 0.00000 287 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 288 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 289 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 290 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 291 29 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 -0.00015 -0.00043 -0.00010 -0.00000 293 2PX 0.00000 -0.00037 -0.00070 -0.00005 -0.00000 294 2PY 0.00000 -0.00017 -0.00047 -0.00006 0.00000 295 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00016 296 3S 0.00002 -0.00160 -0.00423 -0.00058 -0.00000 297 3PX -0.00014 0.00028 0.00259 0.00102 0.00000 298 3PY 0.00010 -0.00165 -0.00355 -0.00016 -0.00000 299 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00237 300 4XX -0.00000 0.00005 0.00018 0.00003 0.00000 301 4YY 0.00000 -0.00001 -0.00003 -0.00000 -0.00000 302 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 303 4XY -0.00000 0.00003 0.00016 0.00001 0.00000 304 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00001 305 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00002 306 30 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 307 2S -0.00001 0.00021 0.00071 0.00006 0.00000 308 31 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 -0.00000 -0.00001 0.00001 0.00000 310 32 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 0.00011 0.00003 0.00047 0.00000 312 33 H 1S 0.00000 -0.00026 -0.00051 -0.00022 -0.00000 313 2S 0.00026 -0.00377 -0.00627 -0.00254 -0.00000 314 34 H 1S -0.00235 0.03525 0.04154 0.06968 0.00000 315 2S -0.00042 0.00818 0.02577 0.03473 0.00000 236 237 238 239 240 236 3S 0.29448 237 3PX 0.00000 0.06189 238 3PY 0.00000 0.00000 0.07007 239 3PZ 0.00000 0.00000 0.00000 0.14447 240 4XX 0.00090 0.00000 0.00000 0.00000 0.00104 241 4YY -0.00001 0.00000 0.00000 0.00000 -0.00014 242 4ZZ -0.00778 0.00000 0.00000 0.00000 0.00002 243 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 244 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 245 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 246 26 C 1S 0.00071 -0.00037 -0.00131 -0.00000 0.00000 247 2S 0.00534 0.00164 0.02182 0.00000 -0.00033 248 2PX 0.01352 0.00128 0.00697 0.00000 -0.00039 249 2PY 0.01123 0.01110 0.00590 -0.00000 -0.00048 250 2PZ 0.00000 0.00000 -0.00000 0.03611 -0.00000 251 3S -0.02090 -0.00389 0.01357 0.00000 -0.00067 252 3PX 0.00685 0.00293 0.00109 0.00000 -0.00068 253 3PY -0.00117 0.00443 -0.00098 0.00000 -0.00055 254 3PZ -0.00000 0.00000 0.00000 0.05591 -0.00000 255 4XX -0.00151 -0.00043 0.00019 0.00000 0.00004 256 4YY 0.00247 0.00082 -0.00101 -0.00000 -0.00010 257 4ZZ -0.00041 -0.00004 -0.00062 -0.00000 0.00000 258 4XY 0.00060 -0.00008 0.00015 0.00000 -0.00000 259 4XZ 0.00000 -0.00000 0.00000 0.00034 -0.00000 260 4YZ 0.00000 0.00000 -0.00000 0.00090 -0.00000 261 27 C 1S -0.00005 0.00000 0.00007 0.00000 0.00000 262 2S -0.00027 -0.00005 -0.00284 -0.00000 -0.00000 263 2PX -0.00008 0.00043 -0.00004 -0.00000 -0.00000 264 2PY -0.00156 -0.00021 -0.00502 -0.00000 -0.00001 265 2PZ -0.00000 -0.00000 -0.00000 0.00023 -0.00000 266 3S 0.00408 0.00002 -0.00557 -0.00000 -0.00009 267 3PX -0.00006 0.00055 0.00014 0.00000 0.00000 268 3PY 0.00029 -0.00011 -0.00362 -0.00000 -0.00011 269 3PZ 0.00000 -0.00000 -0.00000 -0.00040 -0.00000 270 4XX -0.00015 -0.00000 -0.00015 -0.00000 0.00000 271 4YY 0.00041 0.00001 0.00081 -0.00000 -0.00000 272 4ZZ -0.00001 0.00000 -0.00002 -0.00000 0.00000 273 4XY 0.00000 -0.00008 0.00001 0.00000 0.00000 274 4XZ 0.00000 -0.00000 0.00000 -0.00001 0.00000 275 4YZ 0.00000 0.00000 0.00000 0.00021 -0.00000 276 28 C 1S 0.00005 0.00000 0.00008 0.00000 -0.00000 277 2S -0.00073 0.00015 -0.00083 -0.00000 0.00000 278 2PX -0.00108 0.00017 -0.00079 -0.00000 0.00000 279 2PY -0.00095 -0.00018 -0.00010 0.00000 -0.00000 280 2PZ -0.00000 -0.00000 0.00000 -0.00171 -0.00000 281 3S -0.00644 -0.00062 -0.00593 -0.00000 0.00002 282 3PX -0.00270 0.00006 -0.00165 -0.00000 0.00005 283 3PY -0.00420 -0.00068 -0.00155 0.00000 -0.00009 284 3PZ -0.00000 -0.00000 0.00000 -0.00791 -0.00000 285 4XX 0.00002 0.00004 -0.00012 -0.00000 -0.00000 286 4YY 0.00003 -0.00008 0.00016 0.00000 0.00000 287 4ZZ 0.00001 -0.00001 0.00001 0.00000 0.00000 288 4XY 0.00000 0.00002 -0.00001 -0.00000 -0.00000 289 4XZ 0.00000 0.00000 -0.00000 0.00002 -0.00000 290 4YZ 0.00000 -0.00000 0.00000 -0.00002 0.00000 291 29 C 1S 0.00002 0.00008 -0.00012 -0.00000 -0.00000 292 2S -0.00160 -0.00233 0.00096 0.00000 0.00002 293 2PX -0.00299 -0.00196 0.00308 0.00000 0.00008 294 2PY -0.00182 -0.00149 0.00028 -0.00000 0.00007 295 2PZ -0.00000 -0.00000 -0.00000 -0.00237 0.00000 296 3S -0.00521 -0.00916 0.00362 0.00000 0.00026 297 3PX 0.00086 0.00075 0.00513 0.00000 0.00031 298 3PY -0.00639 -0.00497 -0.00008 -0.00000 0.00007 299 3PZ -0.00000 -0.00000 -0.00000 -0.00917 0.00000 300 4XX 0.00040 0.00059 -0.00012 -0.00000 -0.00000 301 4YY -0.00013 -0.00021 0.00005 -0.00000 0.00000 302 4ZZ 0.00001 0.00001 -0.00006 -0.00000 -0.00000 303 4XY 0.00019 0.00016 0.00002 0.00000 0.00001 304 4XZ 0.00000 0.00000 0.00000 0.00005 0.00000 305 4YZ -0.00000 -0.00000 -0.00000 0.00016 0.00000 306 30 H 1S 0.00008 0.00012 -0.00008 -0.00000 -0.00000 307 2S 0.00167 0.00250 -0.00044 -0.00000 -0.00001 308 31 H 1S 0.00001 -0.00000 0.00001 0.00000 -0.00000 309 2S 0.00024 0.00000 0.00016 0.00000 -0.00000 310 32 H 1S 0.00008 0.00005 0.00020 0.00000 -0.00000 311 2S 0.00095 0.00037 0.00240 0.00000 -0.00000 312 33 H 1S -0.00475 0.00003 -0.00021 -0.00000 0.00010 313 2S -0.01359 -0.00370 -0.00225 -0.00000 0.00081 314 34 H 1S 0.03662 0.01313 0.03721 0.00000 -0.00005 315 2S 0.00065 0.01169 0.02666 0.00000 -0.00027 241 242 243 244 245 241 4YY 0.00099 242 4ZZ 0.00003 0.00094 243 4XY -0.00000 0.00000 0.00176 244 4XZ -0.00000 0.00000 0.00000 0.00060 245 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00038 246 26 C 1S -0.00013 0.00000 -0.00016 -0.00000 -0.00000 247 2S 0.00174 -0.00035 0.00167 0.00000 0.00000 248 2PX 0.00243 -0.00025 -0.00008 -0.00000 0.00000 249 2PY -0.00085 -0.00052 0.00201 0.00000 -0.00000 250 2PZ -0.00000 0.00000 0.00000 0.00062 0.00152 251 3S 0.00142 -0.00044 0.00081 0.00000 0.00000 252 3PX 0.00072 -0.00016 0.00006 0.00000 0.00000 253 3PY -0.00008 -0.00046 0.00008 -0.00000 -0.00000 254 3PZ -0.00000 -0.00000 -0.00000 0.00043 0.00094 255 4XX -0.00018 0.00001 0.00003 0.00000 -0.00000 256 4YY 0.00013 -0.00004 -0.00025 -0.00000 0.00000 257 4ZZ -0.00003 0.00002 -0.00003 -0.00000 -0.00000 258 4XY -0.00008 -0.00003 0.00004 0.00000 -0.00000 259 4XZ -0.00000 0.00000 0.00000 0.00000 0.00005 260 4YZ 0.00000 0.00000 -0.00000 -0.00004 -0.00001 261 27 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 262 2S 0.00003 0.00000 -0.00000 -0.00000 0.00000 263 2PX -0.00000 0.00000 -0.00001 -0.00000 -0.00000 264 2PY 0.00021 -0.00000 -0.00000 -0.00000 0.00000 265 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00002 266 3S 0.00028 -0.00001 -0.00001 -0.00000 0.00000 267 3PX -0.00001 0.00000 -0.00012 -0.00000 -0.00000 268 3PY 0.00064 -0.00005 -0.00001 -0.00000 0.00000 269 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00020 270 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 271 4YY 0.00001 -0.00000 0.00000 0.00000 -0.00000 272 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 273 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 274 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 275 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 278 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 279 2PY 0.00001 -0.00000 0.00000 0.00000 0.00000 280 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 281 3S 0.00002 0.00002 0.00002 0.00000 0.00000 282 3PX -0.00009 0.00001 0.00001 0.00000 -0.00000 283 3PY 0.00014 0.00002 0.00002 0.00000 0.00000 284 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00001 285 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 286 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 287 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 288 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 289 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 290 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 291 29 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 292 2S 0.00000 -0.00000 0.00004 0.00000 0.00000 293 2PX 0.00000 -0.00000 0.00013 0.00000 0.00000 294 2PY -0.00000 0.00000 0.00007 0.00000 0.00000 295 2PZ 0.00000 -0.00000 0.00000 0.00004 -0.00001 296 3S -0.00003 0.00001 0.00023 0.00000 -0.00000 297 3PX -0.00012 -0.00008 0.00011 0.00000 -0.00000 298 3PY 0.00007 0.00003 0.00005 -0.00000 0.00000 299 3PZ 0.00000 0.00000 -0.00000 0.00027 -0.00006 300 4XX -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 301 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 302 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 303 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 304 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 305 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 306 30 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 307 2S -0.00001 -0.00000 -0.00002 -0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 309 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 310 32 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 311 2S -0.00001 -0.00000 0.00000 0.00000 -0.00000 312 33 H 1S -0.00003 0.00000 0.00008 0.00000 -0.00000 313 2S -0.00053 0.00009 0.00020 0.00000 -0.00000 314 34 H 1S 0.00203 -0.00082 0.00487 0.00000 0.00000 315 2S 0.00234 -0.00066 0.00091 0.00000 0.00000 246 247 248 249 250 246 26 C 1S 2.05309 247 2S -0.01402 0.33160 248 2PX 0.00000 0.00000 0.43184 249 2PY 0.00000 0.00000 -0.00000 0.42134 250 2PZ 0.00000 0.00000 -0.00000 0.00000 0.32817 251 3S -0.03106 0.20752 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.08015 0.00000 -0.00000 253 3PY 0.00000 0.00000 -0.00000 0.07039 0.00000 254 3PZ 0.00000 0.00000 -0.00000 0.00000 0.12117 255 4XX -0.00167 0.00267 0.00000 0.00000 0.00000 256 4YY -0.00128 -0.00337 0.00000 0.00000 0.00000 257 4ZZ -0.00090 -0.01136 0.00000 0.00000 0.00000 258 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 260 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 261 27 C 1S 0.00000 -0.00053 -0.00062 -0.00223 -0.00000 262 2S -0.00053 0.01061 0.00902 0.03436 0.00000 263 2PX -0.00066 0.01044 -0.00057 0.02644 0.00000 264 2PY -0.00222 0.03264 0.02371 0.05613 0.00000 265 2PZ -0.00000 0.00000 0.00000 0.00000 0.02095 266 3S 0.00030 0.00803 0.00908 0.02152 0.00000 267 3PX -0.00038 0.00260 -0.00083 0.01222 0.00000 268 3PY -0.00089 0.01782 0.00590 0.00572 -0.00000 269 3PZ -0.00000 0.00000 0.00000 -0.00000 0.02884 270 4XX 0.00001 -0.00043 -0.00025 -0.00078 -0.00000 271 4YY -0.00015 0.00207 0.00256 -0.00061 -0.00000 272 4ZZ 0.00000 -0.00036 -0.00021 -0.00056 0.00000 273 4XY -0.00015 0.00162 -0.00002 0.00232 0.00000 274 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00044 275 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00171 276 28 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 277 2S 0.00000 -0.00013 -0.00036 -0.00014 -0.00000 278 2PX 0.00000 -0.00039 -0.00067 -0.00041 -0.00000 279 2PY 0.00000 -0.00011 -0.00013 -0.00005 -0.00000 280 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00003 281 3S -0.00002 -0.00107 -0.00372 0.00064 0.00000 282 3PX 0.00012 -0.00304 -0.00480 -0.00075 -0.00000 283 3PY -0.00006 0.00006 0.00166 0.00025 -0.00000 284 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00090 285 4XX -0.00000 0.00002 0.00007 0.00006 0.00000 286 4YY -0.00000 0.00000 0.00001 0.00000 0.00000 287 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 288 4XY -0.00000 0.00004 0.00011 0.00006 0.00000 289 4XZ -0.00000 0.00000 0.00000 0.00000 0.00003 290 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00001 291 29 C 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 292 2S 0.00000 -0.00002 -0.00005 -0.00000 -0.00000 293 2PX 0.00000 -0.00005 -0.00016 0.00000 0.00000 294 2PY 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 295 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00005 296 3S 0.00005 -0.00073 -0.00204 0.00001 0.00000 297 3PX 0.00008 -0.00066 -0.00056 0.00000 0.00000 298 3PY 0.00000 -0.00001 -0.00001 -0.00033 -0.00000 299 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00171 300 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 301 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 302 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 303 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 304 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 305 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 306 30 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 307 2S -0.00000 0.00002 0.00004 0.00000 0.00000 308 31 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 309 2S -0.00000 0.00015 0.00027 0.00026 0.00000 310 32 H 1S 0.00000 -0.00018 -0.00000 -0.00070 -0.00000 311 2S 0.00018 -0.00244 0.00001 -0.00935 -0.00000 312 33 H 1S -0.00207 0.03285 0.10012 0.00025 0.00000 313 2S -0.00128 0.01286 0.05680 0.00018 0.00000 314 34 H 1S 0.00000 -0.00040 -0.00000 -0.00115 -0.00000 315 2S 0.00026 -0.00341 -0.00000 -0.00900 -0.00000 251 252 253 254 255 251 3S 0.24394 252 3PX 0.00000 0.05299 253 3PY 0.00000 0.00000 0.04519 254 3PZ 0.00000 -0.00000 0.00000 0.13913 255 4XX 0.00401 0.00000 0.00000 0.00000 0.00186 256 4YY -0.00352 0.00000 0.00000 0.00000 -0.00035 257 4ZZ -0.00710 0.00000 0.00000 0.00000 -0.00003 258 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 259 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 260 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 261 27 C 1S 0.00033 -0.00024 -0.00108 -0.00000 0.00001 262 2S 0.00826 0.00684 0.01399 0.00000 -0.00039 263 2PX 0.00353 0.00040 0.01152 0.00000 -0.00025 264 2PY 0.02826 0.00546 0.00625 -0.00000 -0.00033 265 2PZ 0.00000 0.00000 -0.00000 0.02952 -0.00000 266 3S -0.00792 0.00717 0.00897 0.00000 -0.00135 267 3PX -0.00110 0.00127 0.00626 0.00000 -0.00058 268 3PY 0.01371 0.00102 -0.00083 0.00000 -0.00027 269 3PZ 0.00000 0.00000 0.00000 0.04436 -0.00000 270 4XX -0.00042 -0.00053 -0.00075 -0.00000 0.00004 271 4YY 0.00127 0.00062 0.00006 -0.00000 -0.00021 272 4ZZ -0.00053 -0.00020 -0.00032 -0.00000 0.00001 273 4XY 0.00076 0.00012 0.00015 0.00000 0.00001 274 4XZ 0.00000 0.00000 0.00000 0.00032 0.00000 275 4YZ 0.00000 0.00000 -0.00000 0.00105 -0.00000 276 28 C 1S -0.00002 -0.00004 0.00009 0.00000 -0.00000 277 2S -0.00107 -0.00143 -0.00155 -0.00000 0.00004 278 2PX -0.00090 0.00111 -0.00340 -0.00000 0.00017 279 2PY -0.00218 -0.00100 -0.00036 0.00000 0.00002 280 2PZ -0.00000 -0.00000 0.00000 -0.00090 0.00000 281 3S 0.00147 -0.00336 -0.00093 -0.00000 0.00032 282 3PX -0.00307 -0.00187 -0.00313 -0.00000 0.00061 283 3PY -0.00122 0.00166 0.00011 -0.00000 -0.00010 284 3PZ -0.00000 0.00000 -0.00000 -0.00402 -0.00000 285 4XX 0.00021 0.00033 0.00009 0.00000 0.00000 286 4YY -0.00004 -0.00011 0.00008 0.00000 -0.00000 287 4ZZ 0.00000 -0.00001 0.00002 0.00000 -0.00000 288 4XY 0.00020 0.00012 0.00005 -0.00000 -0.00000 289 4XZ 0.00000 0.00000 -0.00000 0.00026 -0.00000 290 4YZ -0.00000 -0.00000 0.00000 -0.00005 -0.00000 291 29 C 1S 0.00006 0.00013 -0.00000 -0.00000 0.00000 292 2S -0.00110 -0.00165 -0.00000 0.00000 -0.00000 293 2PX -0.00255 -0.00241 0.00001 0.00000 -0.00000 294 2PY -0.00000 -0.00000 -0.00039 -0.00000 0.00000 295 2PZ -0.00000 0.00000 -0.00000 -0.00167 0.00000 296 3S -0.00644 -0.00693 0.00003 0.00000 0.00004 297 3PX -0.00653 -0.00284 -0.00000 -0.00000 0.00012 298 3PY -0.00002 -0.00003 -0.00095 -0.00000 0.00000 299 3PZ -0.00000 -0.00000 -0.00000 -0.00791 -0.00000 300 4XX 0.00007 0.00013 0.00000 0.00000 0.00000 301 4YY -0.00000 -0.00004 -0.00000 -0.00000 -0.00000 302 4ZZ 0.00002 0.00002 -0.00000 0.00000 -0.00000 303 4XY -0.00000 0.00000 -0.00005 -0.00000 0.00000 304 4XZ -0.00000 0.00000 -0.00000 0.00002 -0.00000 305 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 306 30 H 1S 0.00002 0.00003 0.00000 0.00000 0.00000 307 2S 0.00047 0.00057 0.00001 0.00000 0.00001 308 31 H 1S 0.00009 0.00002 0.00020 0.00000 -0.00000 309 2S 0.00114 0.00061 0.00176 0.00000 -0.00003 310 32 H 1S -0.00370 -0.00001 -0.00196 -0.00000 -0.00001 311 2S -0.01113 -0.00005 -0.00845 -0.00000 -0.00025 312 33 H 1S 0.04178 0.04994 0.00015 0.00000 0.00749 313 2S 0.02652 0.04013 0.00019 0.00000 0.00581 314 34 H 1S -0.00425 -0.00000 0.00020 0.00000 -0.00002 315 2S -0.01012 -0.00001 -0.00277 -0.00000 -0.00048 256 257 258 259 260 256 4YY 0.00139 257 4ZZ 0.00010 0.00091 258 4XY -0.00000 0.00000 0.00117 259 4XZ 0.00000 0.00000 0.00000 0.00028 260 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00057 261 27 C 1S -0.00016 0.00000 -0.00014 -0.00000 -0.00000 262 2S 0.00210 -0.00035 0.00160 0.00000 0.00000 263 2PX 0.00199 -0.00013 -0.00003 -0.00000 0.00000 264 2PY -0.00078 -0.00066 0.00270 0.00000 -0.00000 265 2PZ -0.00000 0.00000 0.00000 0.00052 0.00123 266 3S 0.00279 -0.00059 0.00046 0.00000 0.00000 267 3PX 0.00100 -0.00004 -0.00007 -0.00000 0.00000 268 3PY -0.00041 -0.00057 0.00012 0.00000 -0.00000 269 3PZ -0.00000 -0.00000 0.00000 0.00030 0.00079 270 4XX -0.00014 0.00000 0.00000 0.00000 -0.00000 271 4YY 0.00015 -0.00003 -0.00016 -0.00000 0.00000 272 4ZZ -0.00004 0.00002 -0.00003 0.00000 0.00000 273 4XY -0.00014 -0.00003 0.00002 0.00000 -0.00000 274 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00006 275 4YZ 0.00000 0.00000 -0.00000 0.00005 -0.00000 276 28 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 277 2S -0.00001 -0.00000 0.00002 0.00000 -0.00000 278 2PX -0.00003 -0.00000 0.00012 0.00000 -0.00000 279 2PY -0.00000 -0.00000 0.00001 -0.00000 -0.00000 280 2PZ -0.00000 0.00000 -0.00000 0.00001 0.00002 281 3S -0.00012 0.00000 0.00016 0.00000 -0.00000 282 3PX -0.00018 0.00002 0.00016 0.00000 -0.00000 283 3PY 0.00004 -0.00001 0.00002 0.00000 -0.00000 284 3PZ -0.00000 -0.00000 0.00000 0.00005 0.00016 285 4XX 0.00000 -0.00000 0.00001 0.00000 0.00000 286 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 287 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 288 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 289 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 290 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 291 29 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 292 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 293 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 294 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 295 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 296 3S 0.00001 0.00001 -0.00000 -0.00000 0.00000 297 3PX -0.00004 -0.00000 0.00000 0.00000 -0.00000 298 3PY -0.00000 0.00000 -0.00006 -0.00000 0.00000 299 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 300 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 301 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 302 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 303 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 304 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 307 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 309 2S 0.00001 -0.00000 -0.00000 -0.00000 0.00000 310 32 H 1S 0.00011 0.00000 -0.00001 -0.00000 0.00000 311 2S 0.00054 0.00007 -0.00004 -0.00000 0.00000 312 33 H 1S -0.00128 -0.00071 0.00005 0.00000 -0.00000 313 2S -0.00306 -0.00063 0.00001 0.00000 -0.00000 314 34 H 1S 0.00031 0.00000 -0.00000 -0.00000 0.00000 315 2S 0.00115 0.00004 -0.00001 -0.00000 0.00000 261 262 263 264 265 261 27 C 1S 2.05361 262 2S -0.01468 0.34132 263 2PX 0.00000 0.00000 0.43874 264 2PY 0.00000 0.00000 0.00000 0.44215 265 2PZ 0.00000 0.00000 -0.00000 0.00000 0.29300 266 3S -0.03112 0.21178 0.00000 0.00000 0.00000 267 3PX 0.00000 0.00000 0.07589 0.00000 -0.00000 268 3PY 0.00000 0.00000 0.00000 0.07658 0.00000 269 3PZ 0.00000 0.00000 -0.00000 0.00000 0.10484 270 4XX -0.00137 -0.00200 0.00000 0.00000 0.00000 271 4YY -0.00157 0.00113 0.00000 0.00000 0.00000 272 4ZZ -0.00090 -0.01134 0.00000 0.00000 0.00000 273 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 274 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 275 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 276 28 C 1S 0.00000 -0.00053 -0.00287 -0.00000 0.00000 277 2S -0.00053 0.01061 0.04310 -0.00002 -0.00000 278 2PX -0.00285 0.04329 0.10390 0.00002 -0.00000 279 2PY -0.00000 0.00010 0.00024 0.00155 0.00000 280 2PZ 0.00000 0.00000 -0.00000 0.00000 0.02095 281 3S 0.00033 0.00826 0.03147 0.00032 0.00000 282 3PX -0.00132 0.02098 0.01702 -0.00017 -0.00000 283 3PY -0.00001 -0.00016 0.00032 0.00646 0.00000 284 3PZ -0.00000 -0.00000 0.00000 0.00000 0.02952 285 4XX -0.00029 0.00391 0.00259 0.00005 0.00000 286 4YY 0.00000 -0.00061 -0.00166 0.00000 -0.00000 287 4ZZ 0.00000 -0.00035 -0.00079 -0.00000 -0.00000 288 4XY -0.00000 0.00001 0.00000 0.00232 0.00000 289 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00176 290 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 291 29 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 292 2S 0.00000 -0.00008 -0.00028 -0.00006 -0.00000 293 2PX 0.00000 -0.00030 -0.00070 -0.00012 -0.00000 294 2PY 0.00000 -0.00014 -0.00031 -0.00008 -0.00000 295 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00004 296 3S -0.00005 -0.00027 0.00055 -0.00219 -0.00000 297 3PX -0.00002 -0.00119 -0.00007 -0.00028 -0.00000 298 3PY 0.00009 -0.00170 -0.00377 -0.00072 -0.00000 299 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00023 300 4XX -0.00000 0.00003 0.00013 0.00001 0.00000 301 4YY 0.00000 -0.00001 -0.00003 0.00000 -0.00000 302 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 303 4XY -0.00000 0.00001 0.00007 0.00000 -0.00000 304 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00001 305 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00001 306 30 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 307 2S -0.00000 0.00016 0.00053 0.00008 0.00000 308 31 H 1S 0.00000 -0.00019 -0.00064 -0.00013 -0.00000 309 2S 0.00018 -0.00261 -0.00805 -0.00189 -0.00000 310 32 H 1S -0.00208 0.03294 0.02532 0.07597 0.00000 311 2S -0.00107 0.00998 0.01408 0.04225 0.00000 312 33 H 1S 0.00000 -0.00019 -0.00051 -0.00026 -0.00000 313 2S 0.00018 -0.00261 -0.00683 -0.00311 -0.00000 314 34 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 315 2S -0.00000 0.00016 0.00001 0.00059 0.00000 266 267 268 269 270 266 3S 0.22415 267 3PX 0.00000 0.04841 268 3PY 0.00000 0.00000 0.04882 269 3PZ 0.00000 -0.00000 0.00000 0.11649 270 4XX -0.00166 0.00000 0.00000 0.00000 0.00114 271 4YY 0.00229 0.00000 0.00000 0.00000 -0.00024 272 4ZZ -0.00708 0.00000 0.00000 0.00000 0.00008 273 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 274 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 275 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 276 28 C 1S 0.00030 -0.00128 0.00001 0.00000 -0.00030 277 2S 0.00803 0.02024 0.00018 0.00000 0.00390 278 2PX 0.03075 0.01719 -0.00030 -0.00000 0.00251 279 2PY -0.00015 0.00022 0.00591 0.00000 -0.00000 280 2PZ -0.00000 0.00000 0.00000 0.02884 -0.00000 281 3S -0.00792 0.01228 0.00033 0.00000 0.00363 282 3PX 0.01641 0.00205 -0.00018 -0.00000 0.00090 283 3PY -0.00027 0.00024 0.00561 0.00000 0.00003 284 3PZ -0.00000 0.00000 0.00000 0.04436 0.00000 285 4XX 0.00347 0.00098 -0.00003 -0.00000 -0.00005 286 4YY -0.00159 -0.00180 0.00001 0.00000 -0.00002 287 4ZZ -0.00059 -0.00060 -0.00001 0.00000 -0.00007 288 4XY 0.00002 0.00000 0.00064 0.00000 0.00000 289 4XZ 0.00000 0.00000 0.00000 0.00109 0.00000 290 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 291 29 C 1S -0.00007 0.00000 -0.00008 -0.00000 -0.00000 292 2S 0.00030 -0.00134 0.00053 0.00000 0.00001 293 2PX -0.00313 -0.00503 0.00213 0.00000 0.00005 294 2PY -0.00011 -0.00058 0.00017 0.00000 0.00003 295 2PZ -0.00000 -0.00000 0.00000 0.00014 0.00000 296 3S 0.00408 0.00137 -0.00114 -0.00000 0.00012 297 3PX -0.00453 -0.00220 0.00229 0.00000 0.00023 298 3PY -0.00102 -0.00315 0.00003 0.00000 0.00003 299 3PZ -0.00000 -0.00000 0.00000 -0.00040 0.00000 300 4XX 0.00031 0.00065 -0.00012 -0.00000 0.00000 301 4YY -0.00016 -0.00026 0.00005 -0.00000 0.00000 302 4ZZ -0.00001 -0.00004 -0.00001 -0.00000 -0.00000 303 4XY 0.00005 0.00005 0.00002 -0.00000 0.00000 304 4XZ 0.00000 0.00000 0.00000 0.00006 0.00000 305 4YZ -0.00000 -0.00000 -0.00000 0.00014 0.00000 306 30 H 1S 0.00013 0.00043 -0.00007 -0.00000 -0.00000 307 2S 0.00111 0.00335 -0.00029 -0.00000 -0.00001 308 31 H 1S -0.00319 -0.00223 -0.00051 -0.00000 0.00003 309 2S -0.00934 -0.00871 -0.00181 -0.00000 -0.00019 310 32 H 1S 0.04436 0.01206 0.03618 0.00000 -0.00077 311 2S 0.02565 0.00913 0.02739 0.00000 -0.00103 312 33 H 1S -0.00319 -0.00187 -0.00087 -0.00000 0.00008 313 2S -0.00934 -0.00698 -0.00354 -0.00000 0.00080 314 34 H 1S 0.00013 0.00008 0.00028 0.00000 0.00000 315 2S 0.00111 0.00048 0.00259 0.00000 0.00000 271 272 273 274 275 271 4YY 0.00146 272 4ZZ -0.00001 0.00089 273 4XY 0.00000 -0.00000 0.00161 274 4XZ 0.00000 -0.00000 0.00000 0.00061 275 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00044 276 28 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 277 2S -0.00064 -0.00036 0.00001 -0.00000 -0.00000 278 2PX -0.00164 -0.00077 0.00006 0.00000 -0.00000 279 2PY 0.00000 0.00000 0.00228 0.00000 0.00000 280 2PZ 0.00000 -0.00000 0.00000 0.00215 0.00001 281 3S -0.00200 -0.00053 -0.00001 -0.00000 -0.00000 282 3PX -0.00186 -0.00053 0.00001 0.00000 -0.00000 283 3PY -0.00001 0.00001 0.00060 0.00000 -0.00000 284 3PZ -0.00000 0.00000 0.00000 0.00137 0.00000 285 4XX -0.00002 -0.00006 -0.00000 -0.00000 -0.00000 286 4YY 0.00003 0.00001 0.00000 -0.00000 0.00000 287 4ZZ 0.00001 0.00002 -0.00000 -0.00000 0.00000 288 4XY -0.00000 -0.00000 -0.00035 -0.00000 0.00000 289 4XZ 0.00000 0.00000 -0.00000 -0.00001 0.00000 290 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 291 29 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 292 2S 0.00000 0.00000 0.00003 0.00000 0.00000 293 2PX 0.00001 -0.00000 0.00009 0.00000 0.00000 294 2PY 0.00001 -0.00000 0.00005 0.00000 0.00000 295 2PZ 0.00000 -0.00000 0.00000 0.00003 -0.00000 296 3S -0.00003 -0.00001 0.00018 0.00000 -0.00000 297 3PX 0.00001 -0.00003 0.00015 0.00000 -0.00000 298 3PY 0.00011 0.00001 0.00006 -0.00000 0.00000 299 3PZ 0.00000 0.00000 -0.00000 0.00026 -0.00005 300 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 301 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 302 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 303 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 304 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 305 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 306 30 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 307 2S -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 308 31 H 1S 0.00000 0.00000 0.00008 0.00000 0.00000 309 2S 0.00019 0.00007 0.00031 0.00000 0.00000 310 32 H 1S 0.00360 -0.00072 0.00341 0.00000 0.00000 311 2S 0.00327 -0.00064 0.00064 0.00000 0.00000 312 33 H 1S -0.00003 0.00000 0.00006 0.00000 -0.00000 313 2S -0.00059 0.00007 0.00010 0.00000 -0.00000 314 34 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 315 2S -0.00003 -0.00000 0.00000 0.00000 -0.00000 276 277 278 279 280 276 28 C 1S 2.05309 277 2S -0.01402 0.33160 278 2PX 0.00000 0.00000 0.42741 279 2PY 0.00000 0.00000 -0.00000 0.42578 280 2PZ 0.00000 0.00000 -0.00000 0.00000 0.32817 281 3S -0.03106 0.20752 0.00000 0.00000 0.00000 282 3PX 0.00000 0.00000 0.07315 -0.00000 -0.00000 283 3PY 0.00000 0.00000 -0.00000 0.07739 0.00000 284 3PZ 0.00000 0.00000 -0.00000 0.00000 0.12117 285 4XX -0.00138 -0.00181 0.00000 0.00000 0.00000 286 4YY -0.00157 0.00111 0.00000 0.00000 0.00000 287 4ZZ -0.00090 -0.01136 0.00000 0.00000 0.00000 288 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 289 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 290 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 291 29 C 1S 0.00000 -0.00056 -0.00062 -0.00228 -0.00000 292 2S -0.00056 0.01132 0.01000 0.03417 0.00000 293 2PX -0.00085 0.01261 -0.00004 0.03015 0.00000 294 2PY -0.00205 0.02989 0.02438 0.04893 0.00000 295 2PZ -0.00000 0.00000 0.00000 0.00000 0.02398 296 3S 0.00071 0.00535 -0.00100 0.02575 0.00000 297 3PX -0.00047 0.01000 -0.00132 0.00896 0.00000 298 3PY -0.00121 0.01345 0.01301 0.00460 -0.00000 299 3PZ -0.00000 0.00000 0.00000 -0.00000 0.03611 300 4XX 0.00001 -0.00036 -0.00029 0.00004 0.00000 301 4YY -0.00014 0.00185 0.00199 -0.00146 -0.00000 302 4ZZ 0.00000 -0.00035 -0.00014 -0.00064 0.00000 303 4XY -0.00015 0.00160 -0.00004 0.00241 0.00000 304 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00045 305 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00168 306 30 H 1S 0.00000 -0.00040 -0.00084 -0.00031 -0.00000 307 2S 0.00026 -0.00341 -0.00668 -0.00232 -0.00000 308 31 H 1S -0.00207 0.03285 0.02957 0.07080 0.00000 309 2S -0.00128 0.01286 0.01720 0.03978 0.00000 310 32 H 1S 0.00000 -0.00018 -0.00056 -0.00015 -0.00000 311 2S 0.00018 -0.00244 -0.00714 -0.00220 -0.00000 312 33 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 313 2S -0.00000 0.00015 0.00050 0.00003 0.00000 314 34 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 315 2S -0.00000 0.00002 0.00002 0.00003 0.00000 281 282 283 284 285 281 3S 0.24394 282 3PX 0.00000 0.04483 283 3PY 0.00000 -0.00000 0.05335 284 3PZ 0.00000 -0.00000 0.00000 0.13913 285 4XX -0.00138 0.00000 0.00000 0.00000 0.00122 286 4YY 0.00187 0.00000 0.00000 0.00000 -0.00022 287 4ZZ -0.00710 0.00000 0.00000 0.00000 0.00006 288 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 289 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 290 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 291 29 C 1S 0.00045 -0.00067 -0.00095 -0.00000 0.00001 292 2S 0.00605 0.00520 0.01732 0.00000 -0.00038 293 2PX 0.01191 -0.00087 0.00674 0.00000 -0.00039 294 2PY 0.02114 0.00997 0.00567 -0.00000 -0.00065 295 2PZ 0.00000 0.00000 -0.00000 0.03399 -0.00000 296 3S -0.02090 -0.00390 0.00958 0.00000 -0.00042 297 3PX 0.00860 0.00030 0.00214 0.00000 -0.00072 298 3PY 0.00108 0.00542 -0.00040 0.00000 -0.00090 299 3PZ 0.00000 0.00000 0.00000 0.05591 -0.00000 300 4XX -0.00145 -0.00039 0.00001 0.00000 0.00004 301 4YY 0.00236 0.00066 -0.00085 -0.00000 -0.00015 302 4ZZ -0.00044 -0.00015 -0.00047 -0.00000 0.00000 303 4XY 0.00065 0.00000 0.00013 0.00000 -0.00001 304 4XZ 0.00000 -0.00000 0.00000 0.00026 -0.00000 305 4YZ 0.00000 0.00000 -0.00000 0.00111 -0.00000 306 30 H 1S -0.00425 0.00020 0.00000 -0.00000 0.00020 307 2S -0.01012 -0.00186 -0.00091 -0.00000 0.00119 308 31 H 1S 0.04178 0.01503 0.03506 0.00000 -0.00056 309 2S 0.02652 0.01277 0.02755 0.00000 -0.00075 310 32 H 1S -0.00370 -0.00161 -0.00036 -0.00000 0.00001 311 2S -0.01113 -0.00693 -0.00157 -0.00000 -0.00031 312 33 H 1S 0.00009 0.00027 -0.00005 -0.00000 -0.00000 313 2S 0.00114 0.00263 -0.00027 -0.00000 -0.00000 314 34 H 1S 0.00002 0.00001 0.00002 0.00000 -0.00000 315 2S 0.00047 0.00027 0.00032 0.00000 -0.00000 286 287 288 289 290 286 4YY 0.00126 287 4ZZ 0.00001 0.00091 288 4XY -0.00000 0.00000 0.00169 289 4XZ -0.00000 0.00000 0.00000 0.00050 290 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00035 291 29 C 1S -0.00013 0.00000 -0.00016 -0.00000 -0.00000 292 2S 0.00181 -0.00035 0.00173 0.00000 0.00000 293 2PX 0.00250 -0.00022 -0.00006 -0.00000 0.00000 294 2PY -0.00019 -0.00064 0.00224 0.00000 -0.00000 295 2PZ -0.00000 0.00000 0.00000 0.00039 0.00149 296 3S 0.00120 -0.00041 0.00078 0.00000 0.00000 297 3PX 0.00075 -0.00029 0.00010 0.00000 0.00000 298 3PY 0.00030 -0.00037 0.00011 0.00000 -0.00000 299 3PZ -0.00000 -0.00000 0.00000 0.00028 0.00095 300 4XX -0.00023 0.00000 0.00002 0.00000 -0.00000 301 4YY 0.00018 -0.00003 -0.00021 -0.00000 0.00000 302 4ZZ -0.00003 0.00002 -0.00004 -0.00000 0.00000 303 4XY -0.00004 -0.00003 0.00002 0.00000 -0.00000 304 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00003 305 4YZ 0.00000 0.00000 -0.00000 -0.00005 0.00002 306 30 H 1S -0.00005 0.00000 0.00013 0.00000 -0.00000 307 2S -0.00071 0.00004 0.00018 0.00000 -0.00000 308 31 H 1S 0.00297 -0.00071 0.00385 0.00000 0.00000 309 2S 0.00276 -0.00063 0.00075 0.00000 0.00000 310 32 H 1S 0.00001 0.00000 0.00008 0.00000 0.00000 311 2S 0.00025 0.00007 0.00031 0.00000 0.00000 312 33 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 313 2S -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 315 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 291 292 293 294 295 291 29 C 1S 2.05345 292 2S -0.01436 0.33572 293 2PX 0.00000 0.00000 0.45338 294 2PY 0.00000 0.00000 0.00000 0.41634 295 2PZ 0.00000 0.00000 -0.00000 0.00000 0.31455 296 3S -0.03280 0.22693 0.00000 0.00000 0.00000 297 3PX 0.00000 0.00000 0.08953 0.00000 -0.00000 298 3PY 0.00000 0.00000 0.00000 0.07230 0.00000 299 3PZ 0.00000 0.00000 0.00000 0.00000 0.12076 300 4XX -0.00161 0.00168 0.00000 0.00000 0.00000 301 4YY -0.00137 -0.00166 0.00000 0.00000 0.00000 302 4ZZ -0.00089 -0.01155 0.00000 0.00000 0.00000 303 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 304 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 305 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 306 30 H 1S -0.00235 0.03525 0.10932 0.00190 0.00000 307 2S -0.00042 0.00818 0.05843 0.00207 0.00000 308 31 H 1S 0.00000 -0.00026 -0.00000 -0.00072 -0.00000 309 2S 0.00026 -0.00377 -0.00002 -0.00879 -0.00000 310 32 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 311 2S -0.00000 0.00011 0.00026 0.00023 0.00000 312 33 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 313 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 314 34 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 315 2S -0.00001 0.00021 0.00042 0.00036 0.00000 296 297 298 299 300 296 3S 0.29448 297 3PX 0.00000 0.06368 298 3PY 0.00000 0.00000 0.06827 299 3PZ 0.00000 0.00000 0.00000 0.14447 300 4XX 0.00247 0.00000 0.00000 0.00000 0.00188 301 4YY -0.00157 0.00000 0.00000 0.00000 -0.00032 302 4ZZ -0.00778 0.00000 0.00000 0.00000 -0.00003 303 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 304 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 305 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 306 30 H 1S 0.03662 0.05133 -0.00100 -0.00000 0.00786 307 2S 0.00065 0.03855 -0.00021 0.00000 0.00633 308 31 H 1S -0.00475 -0.00002 -0.00017 -0.00000 -0.00001 309 2S -0.01359 -0.00007 -0.00588 -0.00000 -0.00042 310 32 H 1S 0.00008 0.00003 0.00022 0.00000 -0.00000 311 2S 0.00095 0.00081 0.00196 0.00000 -0.00002 312 33 H 1S 0.00001 0.00001 -0.00000 -0.00000 0.00000 313 2S 0.00024 0.00016 -0.00000 -0.00000 0.00001 314 34 H 1S 0.00008 -0.00008 0.00013 0.00000 -0.00000 315 2S 0.00167 0.00033 0.00173 0.00000 -0.00004 301 302 303 304 305 301 4YY 0.00125 302 4ZZ 0.00008 0.00094 303 4XY 0.00000 0.00000 0.00103 304 4XZ 0.00000 0.00000 0.00000 0.00019 305 4YZ 0.00000 0.00000 0.00000 0.00000 0.00078 306 30 H 1S -0.00150 -0.00082 0.00050 0.00000 -0.00000 307 2S -0.00342 -0.00066 0.00008 0.00000 -0.00000 308 31 H 1S 0.00016 0.00000 -0.00000 -0.00000 0.00000 309 2S 0.00092 0.00009 -0.00002 -0.00000 0.00000 310 32 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 311 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 312 33 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 313 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 314 34 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 315 2S 0.00001 -0.00000 -0.00001 -0.00000 0.00000 306 307 308 309 310 306 30 H 1S 0.23200 307 2S 0.10596 0.14120 308 31 H 1S -0.00005 -0.00139 0.21552 309 2S -0.00167 -0.00559 0.09907 0.12096 310 32 H 1S -0.00000 -0.00000 -0.00001 -0.00061 0.21451 311 2S -0.00000 -0.00020 -0.00061 -0.00261 0.09554 312 33 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00001 313 2S 0.00000 0.00001 -0.00000 -0.00018 -0.00061 314 34 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 315 2S -0.00000 -0.00028 0.00000 0.00001 -0.00000 311 312 313 314 315 311 2S 0.11572 312 33 H 1S -0.00061 0.21552 313 2S -0.00261 0.09907 0.12096 314 34 H 1S -0.00000 -0.00005 -0.00167 0.23200 315 2S -0.00020 -0.00139 -0.00559 0.10596 0.14120 Gross orbital populations: 1 1 1 C 1S 1.99216 2 2S 0.73441 3 2PX 0.72910 4 2PY 0.72910 5 2PZ 0.41991 6 3S 0.58295 7 3PX 0.21515 8 3PY 0.21515 9 3PZ 0.34142 10 4XX 0.00446 11 4YY 0.00446 12 4ZZ -0.02387 13 4XY 0.01131 14 4XZ 0.00508 15 4YZ 0.00508 16 2 C 1S 1.99185 17 2S 0.70596 18 2PX 0.69645 19 2PY 0.75345 20 2PZ 0.59392 21 3S 0.48577 22 3PX 0.10260 23 3PY 0.09818 24 3PZ 0.42343 25 4XX 0.00898 26 4YY 0.00014 27 4ZZ -0.02320 28 4XY 0.01323 29 4XZ 0.00306 30 4YZ 0.00534 31 3 C 1S 1.99192 32 2S 0.71832 33 2PX 0.77156 34 2PY 0.76564 35 2PZ 0.53384 36 3S 0.53285 37 3PX 0.21823 38 3PY 0.22360 39 3PZ 0.40402 40 4XX 0.00190 41 4YY 0.01313 42 4ZZ -0.02461 43 4XY 0.01208 44 4XZ 0.00562 45 4YZ 0.00248 46 4 C 1S 1.99191 47 2S 0.71439 48 2PX 0.75846 49 2PY 0.76646 50 2PZ 0.56008 51 3S 0.50444 52 3PX 0.18599 53 3PY 0.22296 54 3PZ 0.40798 55 4XX 0.00248 56 4YY 0.01108 57 4ZZ -0.02426 58 4XY 0.01386 59 4XZ 0.00428 60 4YZ 0.00288 61 5 C 1S 1.99196 62 2S 0.72586 63 2PX 0.77942 64 2PY 0.77899 65 2PZ 0.50203 66 3S 0.52687 67 3PX 0.24820 68 3PY 0.16662 69 3PZ 0.36419 70 4XX 0.01593 71 4YY -0.00066 72 4ZZ -0.02403 73 4XY 0.01158 74 4XZ 0.00259 75 4YZ 0.00592 76 6 C 1S 1.99191 77 2S 0.71439 78 2PX 0.75846 79 2PY 0.76646 80 2PZ 0.56008 81 3S 0.50444 82 3PX 0.18599 83 3PY 0.22296 84 3PZ 0.40798 85 4XX 0.00248 86 4YY 0.01108 87 4ZZ -0.02426 88 4XY 0.01386 89 4XZ 0.00428 90 4YZ 0.00288 91 7 C 1S 1.99192 92 2S 0.71832 93 2PX 0.77156 94 2PY 0.76564 95 2PZ 0.53384 96 3S 0.53285 97 3PX 0.21823 98 3PY 0.22360 99 3PZ 0.40402 100 4XX 0.00190 101 4YY 0.01313 102 4ZZ -0.02461 103 4XY 0.01208 104 4XZ 0.00562 105 4YZ 0.00248 106 8 H 1S 0.55785 107 2S 0.28514 108 9 H 1S 0.52918 109 2S 0.29185 110 10 H 1S 0.52684 111 2S 0.28141 112 11 H 1S 0.52918 113 2S 0.29185 114 12 H 1S 0.55785 115 2S 0.28514 116 13 C 1S 1.99185 117 2S 0.70596 118 2PX 0.73920 119 2PY 0.71070 120 2PZ 0.59392 121 3S 0.48577 122 3PX 0.09928 123 3PY 0.10150 124 3PZ 0.42343 125 4XX 0.00256 126 4YY 0.00698 127 4ZZ -0.02320 128 4XY 0.01280 129 4XZ 0.00477 130 4YZ 0.00363 131 14 C 1S 1.99192 132 2S 0.71832 133 2PX 0.78313 134 2PY 0.75407 135 2PZ 0.53384 136 3S 0.53285 137 3PX 0.26880 138 3PY 0.17303 139 3PZ 0.40402 140 4XX 0.01301 141 4YY 0.00403 142 4ZZ -0.02461 143 4XY 0.01008 144 4XZ 0.00155 145 4YZ 0.00655 146 15 C 1S 1.99191 147 2S 0.71439 148 2PX 0.76574 149 2PY 0.75918 150 2PZ 0.56008 151 3S 0.50444 152 3PX 0.18739 153 3PY 0.22156 154 3PZ 0.40798 155 4XX 0.00368 156 4YY 0.00915 157 4ZZ -0.02426 158 4XY 0.01460 159 4XZ 0.00429 160 4YZ 0.00287 161 16 C 1S 1.99196 162 2S 0.72586 163 2PX 0.77909 164 2PY 0.77931 165 2PZ 0.50203 166 3S 0.52687 167 3PX 0.18701 168 3PY 0.22781 169 3PZ 0.36419 170 4XX 0.00231 171 4YY 0.01060 172 4ZZ -0.02403 173 4XY 0.01395 174 4XZ 0.00509 175 4YZ 0.00343 176 17 C 1S 1.99191 177 2S 0.71439 178 2PX 0.76319 179 2PY 0.76174 180 2PZ 0.56008 181 3S 0.50444 182 3PX 0.24005 183 3PY 0.16890 184 3PZ 0.40798 185 4XX 0.01503 186 4YY 0.00095 187 4ZZ -0.02426 188 4XY 0.01145 189 4XZ 0.00217 190 4YZ 0.00499 191 18 C 1S 1.99192 192 2S 0.71832 193 2PX 0.75111 194 2PY 0.78609 195 2PZ 0.53384 196 3S 0.53285 197 3PX 0.17572 198 3PY 0.26611 199 3PZ 0.40402 200 4XX 0.00723 201 4YY 0.00497 202 4ZZ -0.02461 203 4XY 0.01492 204 4XZ 0.00498 205 4YZ 0.00312 206 19 H 1S 0.55785 207 2S 0.28514 208 20 H 1S 0.52918 209 2S 0.29185 210 21 H 1S 0.52684 211 2S 0.28141 212 22 H 1S 0.52918 213 2S 0.29185 214 23 H 1S 0.55785 215 2S 0.28514 216 24 C 1S 1.99185 217 2S 0.70596 218 2PX 0.73920 219 2PY 0.71070 220 2PZ 0.59392 221 3S 0.48577 222 3PX 0.09929 223 3PY 0.10150 224 3PZ 0.42343 225 4XX 0.00256 226 4YY 0.00698 227 4ZZ -0.02320 228 4XY 0.01280 229 4XZ 0.00477 230 4YZ 0.00363 231 25 C 1S 1.99192 232 2S 0.71832 233 2PX 0.75111 234 2PY 0.78609 235 2PZ 0.53384 236 3S 0.53285 237 3PX 0.17572 238 3PY 0.26611 239 3PZ 0.40402 240 4XX 0.00723 241 4YY 0.00497 242 4ZZ -0.02461 243 4XY 0.01492 244 4XZ 0.00498 245 4YZ 0.00312 246 26 C 1S 1.99191 247 2S 0.71439 248 2PX 0.76319 249 2PY 0.76174 250 2PZ 0.56008 251 3S 0.50444 252 3PX 0.24005 253 3PY 0.16890 254 3PZ 0.40798 255 4XX 0.01503 256 4YY 0.00095 257 4ZZ -0.02426 258 4XY 0.01145 259 4XZ 0.00217 260 4YZ 0.00499 261 27 C 1S 1.99196 262 2S 0.72586 263 2PX 0.77909 264 2PY 0.77931 265 2PZ 0.50203 266 3S 0.52687 267 3PX 0.18701 268 3PY 0.22781 269 3PZ 0.36419 270 4XX 0.00231 271 4YY 0.01060 272 4ZZ -0.02403 273 4XY 0.01395 274 4XZ 0.00509 275 4YZ 0.00343 276 28 C 1S 1.99191 277 2S 0.71439 278 2PX 0.76574 279 2PY 0.75918 280 2PZ 0.56008 281 3S 0.50444 282 3PX 0.18739 283 3PY 0.22156 284 3PZ 0.40798 285 4XX 0.00368 286 4YY 0.00915 287 4ZZ -0.02426 288 4XY 0.01460 289 4XZ 0.00429 290 4YZ 0.00287 291 29 C 1S 1.99192 292 2S 0.71832 293 2PX 0.78313 294 2PY 0.75407 295 2PZ 0.53384 296 3S 0.53285 297 3PX 0.26880 298 3PY 0.17303 299 3PZ 0.40402 300 4XX 0.01301 301 4YY 0.00403 302 4ZZ -0.02461 303 4XY 0.01008 304 4XZ 0.00155 305 4YZ 0.00655 306 30 H 1S 0.55785 307 2S 0.28514 308 31 H 1S 0.52918 309 2S 0.29185 310 32 H 1S 0.52684 311 2S 0.28141 312 33 H 1S 0.52918 313 2S 0.29185 314 34 H 1S 0.55785 315 2S 0.28514 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.021067 0.353119 -0.021669 0.003687 -0.000224 0.003687 2 C 0.353119 4.875344 0.473470 -0.032909 -0.029112 -0.032910 3 C -0.021669 0.473470 5.030023 0.521958 -0.020861 -0.047180 4 C 0.003687 -0.032909 0.521958 4.876200 0.529601 -0.037017 5 C -0.000224 -0.029112 -0.020861 0.529601 4.814032 0.529602 6 C 0.003687 -0.032910 -0.047180 -0.037017 0.529602 4.876200 7 C -0.021668 0.473469 -0.044656 -0.047181 -0.020861 0.521959 8 H -0.000902 -0.053734 0.004786 0.001168 0.005407 -0.029659 9 H -0.000101 0.003708 0.000417 0.004473 -0.038637 0.366122 10 H 0.000005 0.000548 0.004635 -0.037361 0.359941 -0.037361 11 H -0.000101 0.003708 -0.037048 0.366122 -0.038637 0.004473 12 H -0.000902 -0.053733 0.346692 -0.029660 0.005407 0.001168 13 C 0.353119 -0.041245 -0.020921 0.000495 -0.000021 -0.000065 14 C -0.021668 -0.020921 -0.008261 0.001329 -0.000026 0.000017 15 C 0.003687 0.000495 0.001329 -0.000087 0.000001 -0.000000 16 C -0.000224 -0.000021 -0.000026 0.000001 -0.000000 0.000000 17 C 0.003687 -0.000065 0.000017 -0.000000 0.000000 -0.000000 18 C -0.021669 0.004794 -0.000454 0.000005 -0.000000 -0.000000 19 H -0.000902 0.000001 -0.000003 0.000000 -0.000000 -0.000000 20 H -0.000101 0.000000 0.000000 0.000000 0.000000 0.000000 21 H 0.000005 0.000000 0.000000 -0.000000 0.000000 -0.000000 22 H -0.000101 0.000006 0.000082 -0.000002 0.000000 -0.000000 23 H -0.000902 -0.003952 -0.015664 0.002203 -0.000048 0.000005 24 C 0.353119 -0.041245 0.004794 -0.000065 -0.000021 0.000495 25 C -0.021668 0.004794 -0.000065 -0.000000 -0.000000 0.000005 26 C 0.003687 -0.000065 -0.000000 -0.000000 0.000000 -0.000000 27 C -0.000224 -0.000021 -0.000000 0.000000 -0.000000 0.000001 28 C 0.003687 0.000495 0.000005 -0.000000 0.000001 -0.000087 29 C -0.021669 -0.020921 -0.000454 0.000017 -0.000026 0.001329 30 H -0.000902 -0.003952 -0.000354 0.000005 -0.000048 0.002203 31 H -0.000101 0.000006 0.000000 -0.000000 0.000000 -0.000002 32 H 0.000005 0.000000 0.000000 -0.000000 0.000000 -0.000000 33 H -0.000101 0.000000 -0.000000 0.000000 0.000000 0.000000 34 H -0.000902 0.000001 0.000004 -0.000000 -0.000000 0.000000 7 8 9 10 11 12 1 C -0.021668 -0.000902 -0.000101 0.000005 -0.000101 -0.000902 2 C 0.473469 -0.053734 0.003708 0.000548 0.003708 -0.053733 3 C -0.044656 0.004786 0.000417 0.004635 -0.037048 0.346692 4 C -0.047181 0.001168 0.004473 -0.037361 0.366122 -0.029660 5 C -0.020861 0.005407 -0.038637 0.359941 -0.038637 0.005407 6 C 0.521959 -0.029659 0.366122 -0.037361 0.004473 0.001168 7 C 5.030023 0.346693 -0.037048 0.004635 0.000417 0.004787 8 H 0.346693 0.585114 -0.008703 -0.000205 0.000014 -0.000288 9 H -0.037048 -0.008703 0.534609 -0.003844 -0.000183 0.000014 10 H 0.004635 -0.000205 -0.003844 0.521301 -0.003844 -0.000205 11 H 0.000417 0.000014 -0.000183 -0.003844 0.534609 -0.008703 12 H 0.004787 -0.000288 0.000014 -0.000205 -0.008703 0.585113 13 C 0.004794 0.000001 0.000000 0.000000 0.000006 -0.003952 14 C -0.000454 -0.000003 0.000000 0.000000 0.000082 -0.015664 15 C 0.000005 0.000000 0.000000 -0.000000 -0.000002 0.002203 16 C -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000048 17 C -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000005 18 C -0.000065 0.000004 -0.000000 0.000000 0.000000 -0.000354 19 H 0.000004 -0.000000 -0.000000 -0.000000 -0.000000 0.000003 20 H -0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 21 H 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 22 H 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000114 23 H -0.000354 0.000003 0.000000 0.000000 0.000114 0.010981 24 C -0.020921 -0.003952 0.000006 0.000000 0.000000 0.000001 25 C -0.000454 -0.000354 0.000000 0.000000 -0.000000 0.000004 26 C 0.000017 0.000005 -0.000000 -0.000000 0.000000 -0.000000 27 C -0.000026 -0.000048 0.000000 0.000000 0.000000 -0.000000 28 C 0.001329 0.002203 -0.000002 -0.000000 0.000000 0.000000 29 C -0.008261 -0.015664 0.000082 0.000000 0.000000 -0.000003 30 H -0.015664 0.010981 0.000114 0.000000 0.000000 0.000003 31 H 0.000082 0.000114 -0.000000 -0.000000 -0.000000 -0.000000 32 H 0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 33 H 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 34 H -0.000003 0.000003 -0.000000 -0.000000 -0.000000 -0.000000 13 14 15 16 17 18 1 C 0.353119 -0.021668 0.003687 -0.000224 0.003687 -0.021669 2 C -0.041245 -0.020921 0.000495 -0.000021 -0.000065 0.004794 3 C -0.020921 -0.008261 0.001329 -0.000026 0.000017 -0.000454 4 C 0.000495 0.001329 -0.000087 0.000001 -0.000000 0.000005 5 C -0.000021 -0.000026 0.000001 -0.000000 0.000000 -0.000000 6 C -0.000065 0.000017 -0.000000 0.000000 -0.000000 -0.000000 7 C 0.004794 -0.000454 0.000005 -0.000000 -0.000000 -0.000065 8 H 0.000001 -0.000003 0.000000 -0.000000 -0.000000 0.000004 9 H 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 10 H 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 11 H 0.000006 0.000082 -0.000002 0.000000 -0.000000 0.000000 12 H -0.003952 -0.015664 0.002203 -0.000048 0.000005 -0.000354 13 C 4.875344 0.473469 -0.032910 -0.029112 -0.032909 0.473470 14 C 0.473469 5.030023 0.521959 -0.020861 -0.047181 -0.044656 15 C -0.032910 0.521959 4.876200 0.529602 -0.037017 -0.047180 16 C -0.029112 -0.020861 0.529602 4.814032 0.529601 -0.020861 17 C -0.032909 -0.047181 -0.037017 0.529601 4.876200 0.521958 18 C 0.473470 -0.044656 -0.047180 -0.020861 0.521958 5.030023 19 H -0.053733 0.004787 0.001168 0.005407 -0.029660 0.346692 20 H 0.003708 0.000417 0.004473 -0.038637 0.366122 -0.037048 21 H 0.000548 0.004635 -0.037361 0.359941 -0.037361 0.004635 22 H 0.003708 -0.037048 0.366122 -0.038637 0.004473 0.000417 23 H -0.053734 0.346693 -0.029659 0.005407 0.001168 0.004786 24 C -0.041245 0.004794 -0.000065 -0.000021 0.000495 -0.020921 25 C -0.020921 -0.000454 0.000017 -0.000026 0.001329 -0.008261 26 C 0.000495 0.000005 -0.000000 0.000001 -0.000087 0.001329 27 C -0.000021 -0.000000 0.000000 -0.000000 0.000001 -0.000026 28 C -0.000065 -0.000000 -0.000000 0.000000 -0.000000 0.000017 29 C 0.004794 -0.000065 -0.000000 -0.000000 0.000005 -0.000454 30 H 0.000001 0.000004 -0.000000 -0.000000 0.000000 -0.000003 31 H 0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 32 H 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 33 H 0.000006 0.000000 -0.000000 0.000000 -0.000002 0.000082 34 H -0.003952 -0.000354 0.000005 -0.000048 0.002203 -0.015664 19 20 21 22 23 24 1 C -0.000902 -0.000101 0.000005 -0.000101 -0.000902 0.353119 2 C 0.000001 0.000000 0.000000 0.000006 -0.003952 -0.041245 3 C -0.000003 0.000000 0.000000 0.000082 -0.015664 0.004794 4 C 0.000000 0.000000 -0.000000 -0.000002 0.002203 -0.000065 5 C -0.000000 0.000000 0.000000 0.000000 -0.000048 -0.000021 6 C -0.000000 0.000000 -0.000000 -0.000000 0.000005 0.000495 7 C 0.000004 -0.000000 0.000000 0.000000 -0.000354 -0.020921 8 H -0.000000 -0.000000 -0.000000 -0.000000 0.000003 -0.003952 9 H -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000006 10 H -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 11 H -0.000000 -0.000000 -0.000000 -0.000000 0.000114 0.000000 12 H 0.000003 0.000000 0.000000 0.000114 0.010981 0.000001 13 C -0.053733 0.003708 0.000548 0.003708 -0.053734 -0.041245 14 C 0.004787 0.000417 0.004635 -0.037048 0.346693 0.004794 15 C 0.001168 0.004473 -0.037361 0.366122 -0.029659 -0.000065 16 C 0.005407 -0.038637 0.359941 -0.038637 0.005407 -0.000021 17 C -0.029660 0.366122 -0.037361 0.004473 0.001168 0.000495 18 C 0.346692 -0.037048 0.004635 0.000417 0.004786 -0.020921 19 H 0.585113 -0.008703 -0.000205 0.000014 -0.000288 -0.003952 20 H -0.008703 0.534609 -0.003844 -0.000183 0.000014 0.000006 21 H -0.000205 -0.003844 0.521301 -0.003844 -0.000205 0.000000 22 H 0.000014 -0.000183 -0.003844 0.534609 -0.008703 0.000000 23 H -0.000288 0.000014 -0.000205 -0.008703 0.585114 0.000001 24 C -0.003952 0.000006 0.000000 0.000000 0.000001 4.875344 25 C -0.015664 0.000082 0.000000 0.000000 -0.000003 0.473469 26 C 0.002203 -0.000002 -0.000000 0.000000 0.000000 -0.032910 27 C -0.000048 0.000000 0.000000 0.000000 -0.000000 -0.029112 28 C 0.000005 -0.000000 -0.000000 0.000000 -0.000000 -0.032909 29 C -0.000354 0.000000 0.000000 -0.000000 0.000004 0.473470 30 H 0.000003 -0.000000 -0.000000 -0.000000 -0.000000 -0.053733 31 H 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.003708 32 H 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000548 33 H 0.000114 -0.000000 -0.000000 -0.000000 -0.000000 0.003708 34 H 0.010981 0.000114 0.000000 0.000000 0.000003 -0.053734 25 26 27 28 29 30 1 C -0.021668 0.003687 -0.000224 0.003687 -0.021669 -0.000902 2 C 0.004794 -0.000065 -0.000021 0.000495 -0.020921 -0.003952 3 C -0.000065 -0.000000 -0.000000 0.000005 -0.000454 -0.000354 4 C -0.000000 -0.000000 0.000000 -0.000000 0.000017 0.000005 5 C -0.000000 0.000000 -0.000000 0.000001 -0.000026 -0.000048 6 C 0.000005 -0.000000 0.000001 -0.000087 0.001329 0.002203 7 C -0.000454 0.000017 -0.000026 0.001329 -0.008261 -0.015664 8 H -0.000354 0.000005 -0.000048 0.002203 -0.015664 0.010981 9 H 0.000000 -0.000000 0.000000 -0.000002 0.000082 0.000114 10 H 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 11 H -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 H 0.000004 -0.000000 -0.000000 0.000000 -0.000003 0.000003 13 C -0.020921 0.000495 -0.000021 -0.000065 0.004794 0.000001 14 C -0.000454 0.000005 -0.000000 -0.000000 -0.000065 0.000004 15 C 0.000017 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 16 C -0.000026 0.000001 -0.000000 0.000000 -0.000000 -0.000000 17 C 0.001329 -0.000087 0.000001 -0.000000 0.000005 0.000000 18 C -0.008261 0.001329 -0.000026 0.000017 -0.000454 -0.000003 19 H -0.015664 0.002203 -0.000048 0.000005 -0.000354 0.000003 20 H 0.000082 -0.000002 0.000000 -0.000000 0.000000 -0.000000 21 H 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 22 H 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 23 H -0.000003 0.000000 -0.000000 -0.000000 0.000004 -0.000000 24 C 0.473469 -0.032910 -0.029112 -0.032909 0.473470 -0.053733 25 C 5.030023 0.521959 -0.020861 -0.047181 -0.044656 0.004787 26 C 0.521959 4.876200 0.529602 -0.037017 -0.047180 0.001168 27 C -0.020861 0.529602 4.814032 0.529601 -0.020861 0.005407 28 C -0.047181 -0.037017 0.529601 4.876200 0.521958 -0.029660 29 C -0.044656 -0.047180 -0.020861 0.521958 5.030023 0.346692 30 H 0.004787 0.001168 0.005407 -0.029660 0.346692 0.585113 31 H 0.000417 0.004473 -0.038637 0.366122 -0.037048 -0.008703 32 H 0.004635 -0.037361 0.359941 -0.037361 0.004635 -0.000205 33 H -0.037048 0.366122 -0.038637 0.004473 0.000417 0.000014 34 H 0.346693 -0.029659 0.005407 0.001168 0.004786 -0.000288 31 32 33 34 1 C -0.000101 0.000005 -0.000101 -0.000902 2 C 0.000006 0.000000 0.000000 0.000001 3 C 0.000000 0.000000 -0.000000 0.000004 4 C -0.000000 -0.000000 0.000000 -0.000000 5 C 0.000000 0.000000 0.000000 -0.000000 6 C -0.000002 -0.000000 0.000000 0.000000 7 C 0.000082 0.000000 0.000000 -0.000003 8 H 0.000114 0.000000 0.000000 0.000003 9 H -0.000000 -0.000000 -0.000000 -0.000000 10 H -0.000000 -0.000000 0.000000 -0.000000 11 H -0.000000 0.000000 -0.000000 -0.000000 12 H -0.000000 -0.000000 -0.000000 -0.000000 13 C 0.000000 0.000000 0.000006 -0.003952 14 C -0.000000 0.000000 0.000000 -0.000354 15 C 0.000000 -0.000000 -0.000000 0.000005 16 C 0.000000 0.000000 0.000000 -0.000048 17 C 0.000000 -0.000000 -0.000002 0.002203 18 C 0.000000 0.000000 0.000082 -0.015664 19 H 0.000000 0.000000 0.000114 0.010981 20 H -0.000000 -0.000000 -0.000000 0.000114 21 H 0.000000 -0.000000 -0.000000 0.000000 22 H -0.000000 0.000000 -0.000000 0.000000 23 H -0.000000 -0.000000 -0.000000 0.000003 24 C 0.003708 0.000548 0.003708 -0.053734 25 C 0.000417 0.004635 -0.037048 0.346693 26 C 0.004473 -0.037361 0.366122 -0.029659 27 C -0.038637 0.359941 -0.038637 0.005407 28 C 0.366122 -0.037361 0.004473 0.001168 29 C -0.037048 0.004635 0.000417 0.004786 30 H -0.008703 -0.000205 0.000014 -0.000288 31 H 0.534609 -0.003844 -0.000183 0.000014 32 H -0.003844 0.521301 -0.003844 -0.000205 33 H -0.000183 -0.003844 0.534609 -0.008703 34 H 0.000014 -0.000205 -0.008703 0.585114 Mulliken charges: 1 1 C 0.034143 2 C 0.140848 3 C -0.170597 4 C -0.122982 5 C -0.095469 6 C -0.122983 7 C -0.170598 8 H 0.157015 9 H 0.178974 10 H 0.191754 11 H 0.178974 12 H 0.157016 13 C 0.140848 14 C -0.170598 15 C -0.122983 16 C -0.095469 17 C -0.122982 18 C -0.170597 19 H 0.157016 20 H 0.178974 21 H 0.191754 22 H 0.178974 23 H 0.157015 24 C 0.140848 25 C -0.170598 26 C -0.122983 27 C -0.095469 28 C -0.122982 29 C -0.170597 30 H 0.157016 31 H 0.178974 32 H 0.191754 33 H 0.178974 34 H 0.157015 Sum of Mulliken charges = 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.034143 2 C 0.140848 3 C -0.013581 4 C 0.055992 5 C 0.096285 6 C 0.055991 7 C -0.013583 13 C 0.140848 14 C -0.013583 15 C 0.055991 16 C 0.096285 17 C 0.055992 18 C -0.013581 24 C 0.140848 25 C -0.013583 26 C 0.055991 27 C 0.096285 28 C 0.055992 29 C -0.013581 Electronic spatial extent (au): = 5533.0462 Charge= 1.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= -0.0000 Z= -0.0000 Tot= 0.0000 Quadrupole moment (field-independent basis, Debye-Ang): XX= -54.4948 YY= -54.4948 ZZ= -114.2254 XY= 0.0000 XZ= -0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 19.9102 YY= 19.9102 ZZ= -39.8204 XY= 0.0000 XZ= -0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 54.8398 YYY= 0.0000 ZZZ= -0.0000 XYY= -54.8398 XXY= -0.0000 XXZ= 0.0000 XZZ= -0.0000 YZZ= -0.0000 YYZ= -0.0000 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -2694.3637 YYYY= -2694.3637 ZZZZ= -116.7493 XXXY= -0.0000 XXXZ= -0.0000 YYYX= -0.0000 YYYZ= 0.0000 ZZZX= -0.0000 ZZZY= 0.0000 XXYY= -898.1212 XXZZ= -692.7495 YYZZ= -692.7495 XXYZ= 0.0000 YYXZ= -0.0000 ZZXY= -0.0000 N-N= 1.231683194273D+03 E-N=-4.140660305662D+03 KE= 7.254704280720D+02 Symmetry A' KE= 7.063456551733D+02 Symmetry A" KE= 1.912477289863D+01 Orbital energies and kinetic energies (alpha): 1 2 1 (A')--O -10.440317 15.892475 2 (E')--O -10.372002 15.885125 3 (E')--O -10.372002 15.885125 4 (A')--O -10.371998 15.885414 5 (A')--O -10.336055 15.879406 6 (E')--O -10.336053 15.879500 7 (E')--O -10.336053 15.879500 8 (E')--O -10.336048 15.879789 9 (E')--O -10.336048 15.879789 10 (A')--O -10.336045 15.879608 11 (E')--O -10.335124 15.879601 12 (E')--O -10.335124 15.879601 13 (A')--O -10.335123 15.879440 14 (A')--O -10.324039 15.879390 15 (E')--O -10.324039 15.879374 16 (E')--O -10.324039 15.879374 17 (E')--O -10.324024 15.881126 18 (E')--O -10.324024 15.881126 19 (A')--O -10.324024 15.880911 20 (A')--O -1.011711 1.441634 21 (E')--O -0.993073 1.489517 22 (E')--O -0.993073 1.489517 23 (A')--O -0.940615 1.530692 24 (E')--O -0.897156 1.532491 25 (E')--O -0.897156 1.532491 26 (E')--O -0.882457 1.644875 27 (E')--O -0.882457 1.644875 28 (A')--O -0.878931 1.642111 29 (A')--O -0.829647 1.573936 30 (E')--O -0.753671 1.493521 31 (E')--O -0.753671 1.493521 32 (E')--O -0.751046 1.397604 33 (E')--O -0.751046 1.397604 34 (A')--O -0.723063 1.242609 35 (A')--O -0.718117 1.572287 36 (A')--O -0.664033 1.266918 37 (E')--O -0.654150 1.108522 38 (E')--O -0.654150 1.108522 39 (E')--O -0.615077 1.352385 40 (E')--O -0.615077 1.352385 41 (A')--O -0.592272 1.203671 42 (E')--O -0.590459 1.351139 43 (E')--O -0.590459 1.351139 44 (A')--O -0.576712 1.496084 45 (E')--O -0.564105 1.385903 46 (E')--O -0.564105 1.385903 47 (E')--O -0.540792 1.398319 48 (E')--O -0.540792 1.398319 49 (A")--O -0.530854 0.905987 50 (A')--O -0.530362 1.324701 51 (A')--O -0.514167 1.414071 52 (E")--O -0.501445 0.952451 53 (E")--O -0.501445 0.952451 54 (E')--O -0.499175 1.388294 55 (E')--O -0.499175 1.388294 56 (E')--O -0.460874 1.548637 57 (E')--O -0.460874 1.548637 58 (A")--O -0.447756 1.039501 59 (A')--O -0.446170 1.536022 60 (E")--O -0.392727 1.117134 61 (E")--O -0.392727 1.117134 62 (E")--O -0.385693 1.159609 63 (E")--O -0.385693 1.159609 64 (A")--O -0.383766 1.158512 65 (A")--V -0.276353 1.273945 66 (E")--V -0.151257 1.414067 67 (E")--V -0.151257 1.414067 68 (E")--V -0.137303 1.343904 69 (E")--V -0.137303 1.343904 70 (A")--V -0.121819 1.452723 71 (A")--V -0.087424 1.579085 72 (A')--V -0.065818 1.186979 73 (E')--V -0.022653 1.070293 74 (E')--V -0.022653 1.070293 75 (E')--V 0.005437 1.244739 76 (E')--V 0.005437 1.244739 77 (A')--V 0.014091 1.082386 78 (E")--V 0.020709 1.725268 79 (E")--V 0.020709 1.725268 80 (E')--V 0.033371 1.645421 81 (E')--V 0.033371 1.645421 82 (A")--V 0.041730 1.796003 83 (A')--V 0.046154 1.088847 84 (A')--V 0.054468 2.583001 85 (E')--V 0.064398 1.320682 86 (E')--V 0.064398 1.320682 87 (A')--V 0.079137 1.236545 88 (E')--V 0.086449 1.370879 89 (E')--V 0.086449 1.370879 90 (E')--V 0.148361 1.608267 91 (E')--V 0.148361 1.608267 92 (E')--V 0.156360 1.643883 93 (E')--V 0.156360 1.643883 94 (A')--V 0.156410 1.666489 95 (A')--V 0.169600 1.826903 96 (E')--V 0.193331 1.587193 97 (E')--V 0.193331 1.587193 98 (A')--V 0.194955 1.719387 99 (A')--V 0.207300 1.834825 100 (E')--V 0.234757 1.850719 101 (E')--V 0.234757 1.850719 102 (A')--V 0.284228 1.733866 103 (E')--V 0.302252 2.173837 104 (E')--V 0.302252 2.173837 105 (A")--V 0.353534 2.005692 106 (E')--V 0.356179 1.976283 107 (E')--V 0.356179 1.976283 108 (A')--V 0.386794 2.368581 109 (E")--V 0.388402 2.006156 110 (E")--V 0.388402 2.006156 111 (E')--V 0.406763 2.251305 112 (E')--V 0.406763 2.251305 113 (A')--V 0.407821 1.936462 114 (A')--V 0.422545 2.184726 115 (A")--V 0.423567 2.024455 116 (E')--V 0.427536 2.488635 117 (E')--V 0.427536 2.488635 118 (A')--V 0.430606 1.961149 119 (E")--V 0.433985 2.027882 120 (E")--V 0.433985 2.027882 121 (E')--V 0.452548 2.065346 122 (E')--V 0.452548 2.065346 123 (E')--V 0.456443 2.114131 124 (E')--V 0.456443 2.114131 125 (A')--V 0.466893 2.307516 126 (A')--V 0.470828 2.045731 127 (E')--V 0.477999 2.134085 128 (E')--V 0.477999 2.134085 129 (A")--V 0.480318 2.042972 130 (A')--V 0.482553 2.278020 131 (E')--V 0.489277 2.055195 132 (E')--V 0.489277 2.055195 133 (E")--V 0.489790 2.078632 134 (E")--V 0.489790 2.078632 135 (A")--V 0.505333 2.149978 136 (E")--V 0.527868 2.169868 137 (E")--V 0.527868 2.169868 138 (E')--V 0.559910 2.115559 139 (E')--V 0.559910 2.115559 140 (A')--V 0.567193 2.139487 141 (E")--V 0.571337 2.214045 142 (E")--V 0.571337 2.214045 143 (A")--V 0.587032 2.219105 144 (A")--V 0.609513 2.242855 145 (E")--V 0.663260 2.252297 146 (E")--V 0.663260 2.252297 147 (A")--V 0.683390 2.216706 148 (A')--V 0.684702 2.347706 149 (E')--V 0.704564 2.735819 150 (E')--V 0.704564 2.735819 151 (A')--V 0.716682 2.533012 152 (E')--V 0.716993 2.624549 153 (E')--V 0.716993 2.624549 154 (A')--V 0.722269 2.568725 155 (E')--V 0.722884 2.576473 156 (E')--V 0.722884 2.576473 157 (E')--V 0.769708 2.441464 158 (E')--V 0.769708 2.441464 159 (E')--V 0.776657 2.501346 160 (E')--V 0.776657 2.501346 161 (A')--V 0.780522 2.618944 162 (A')--V 0.801258 2.552588 163 (E')--V 0.806450 2.620439 164 (E')--V 0.806450 2.620439 165 (A')--V 0.810863 2.459006 166 (A')--V 0.818346 2.371598 167 (A')--V 0.868677 2.711085 168 (E')--V 0.869346 2.312046 169 (E')--V 0.869346 2.312046 170 (A')--V 0.937965 2.365790 171 (E')--V 0.941817 2.496976 172 (E')--V 0.941817 2.496976 173 (E')--V 0.956359 2.355220 174 (E')--V 0.956359 2.355220 175 (A')--V 0.966180 2.245468 176 (E')--V 1.021861 2.796136 177 (E')--V 1.021861 2.796136 178 (E')--V 1.024970 2.582743 179 (E')--V 1.024970 2.582743 180 (E')--V 1.054751 2.392486 181 (E')--V 1.054751 2.392486 182 (A')--V 1.068987 2.306776 183 (A')--V 1.080285 2.296872 184 (E")--V 1.108452 2.388932 185 (E")--V 1.108452 2.388932 186 (E')--V 1.113750 2.428187 187 (E')--V 1.113750 2.428187 188 (A")--V 1.114343 2.396518 189 (A')--V 1.132159 2.866963 190 (E")--V 1.137825 2.417095 191 (E")--V 1.137825 2.417095 192 (A')--V 1.212803 2.477511 193 (E')--V 1.217645 2.687437 194 (E')--V 1.217645 2.687437 195 (A")--V 1.284197 2.572975 196 (E")--V 1.285560 2.576372 197 (E")--V 1.285560 2.576372 198 (A')--V 1.288375 2.697767 199 (E')--V 1.319488 2.817528 200 (E')--V 1.319488 2.817528 201 (A")--V 1.347076 2.671184 202 (E")--V 1.351575 2.679140 203 (E")--V 1.351575 2.679140 204 (A")--V 1.355275 2.672081 205 (E")--V 1.356440 2.671350 206 (E")--V 1.356440 2.671350 207 (E')--V 1.368837 2.714861 208 (E')--V 1.368837 2.714861 209 (A")--V 1.388378 2.702365 210 (E")--V 1.389768 2.709284 211 (E")--V 1.389768 2.709284 212 (A')--V 1.391197 2.746932 213 (A')--V 1.431517 2.950246 214 (A")--V 1.508865 2.745319 215 (E')--V 1.509209 3.112542 216 (E')--V 1.509209 3.112542 217 (E')--V 1.550905 3.098079 218 (E')--V 1.550905 3.098079 219 (A')--V 1.555351 3.007009 220 (A')--V 1.644898 3.090320 221 (E')--V 1.667578 3.101904 222 (E')--V 1.667578 3.101904 223 (A')--V 1.708979 3.338839 224 (E')--V 1.709137 3.202681 225 (E')--V 1.709137 3.202681 226 (E")--V 1.726738 3.037539 227 (E")--V 1.726738 3.037539 228 (A')--V 1.743049 3.282061 229 (E')--V 1.783159 3.344312 230 (E')--V 1.783159 3.344312 231 (A')--V 1.802832 3.233050 232 (E')--V 1.852184 3.390196 233 (E')--V 1.852184 3.390196 234 (A')--V 1.871823 3.579206 235 (E')--V 1.881699 3.523818 236 (E')--V 1.881699 3.523818 237 (A')--V 1.897382 3.607341 238 (E')--V 1.931406 3.470349 239 (E')--V 1.931406 3.470349 240 (E")--V 1.964642 3.290237 241 (E")--V 1.964642 3.290237 242 (A")--V 1.964737 3.283316 243 (A')--V 1.987622 3.492967 244 (E')--V 2.011503 3.536967 245 (E')--V 2.011503 3.536967 246 (A")--V 2.015633 3.380357 247 (A')--V 2.024189 3.533992 248 (E')--V 2.037898 3.589359 249 (E')--V 2.037898 3.589359 250 (E')--V 2.080126 3.596340 251 (E')--V 2.080126 3.596340 252 (E")--V 2.083040 3.453843 253 (E")--V 2.083040 3.453843 254 (A')--V 2.101009 3.677216 255 (A")--V 2.108594 3.493717 256 (E")--V 2.123623 3.490097 257 (E")--V 2.123623 3.490097 258 (A")--V 2.150436 3.509957 259 (E")--V 2.170069 3.562135 260 (E")--V 2.170069 3.562135 261 (A")--V 2.223517 3.627444 262 (A')--V 2.242090 3.644008 263 (E")--V 2.290141 3.704653 264 (E")--V 2.290141 3.704653 265 (E')--V 2.303966 3.735779 266 (E')--V 2.303966 3.735779 267 (E')--V 2.437207 3.950577 268 (E')--V 2.437207 3.950577 269 (A')--V 2.454920 3.954831 270 (A')--V 2.462149 4.290867 271 (A")--V 2.494914 3.911152 272 (E")--V 2.501671 3.920174 273 (E")--V 2.501671 3.920174 274 (E')--V 2.519826 4.338834 275 (E')--V 2.519826 4.338834 276 (A')--V 2.534384 4.550618 277 (A')--V 2.539470 4.326124 278 (E')--V 2.555181 4.395073 279 (E')--V 2.555181 4.395073 280 (E')--V 2.620672 4.286053 281 (E')--V 2.620672 4.286053 282 (E')--V 2.644274 4.468153 283 (E')--V 2.644274 4.468153 284 (A')--V 2.645592 4.395575 285 (E')--V 2.685327 4.646477 286 (E')--V 2.685327 4.646477 287 (A')--V 2.757719 4.747070 288 (A')--V 2.787331 4.649239 289 (E')--V 2.809023 4.708863 290 (E')--V 2.809023 4.708863 291 (A')--V 2.959265 4.818647 292 (E')--V 3.002004 5.000556 293 (E')--V 3.002004 5.000556 294 (A')--V 3.220201 5.299284 295 (E')--V 3.265118 5.222783 296 (E')--V 3.265118 5.222783 297 (A')--V 3.815330 9.979064 298 (E')--V 3.948611 10.215996 299 (E')--V 3.948611 10.215996 300 (A')--V 3.962722 10.200488 301 (E')--V 3.982086 10.192205 302 (E')--V 3.982086 10.192205 303 (A')--V 4.002702 10.174614 304 (E')--V 4.009191 10.130876 305 (E')--V 4.009191 10.130876 306 (A')--V 4.065825 10.092691 307 (E')--V 4.207431 10.152655 308 (E')--V 4.207431 10.152655 309 (E')--V 4.214489 10.082591 310 (E')--V 4.214489 10.082591 311 (A')--V 4.219902 10.111270 312 (A')--V 4.320614 10.161503 313 (E')--V 4.520597 10.394584 314 (E')--V 4.520597 10.394584 315 (A')--V 4.613560 10.454668 Total kinetic energy from orbitals= 7.254704280720D+02 Running external command "gaunbo6 R" input file "/scratch/webmo-13362/473906/Gau-12722.EIn" output file "/scratch/webmo-13362/473906/Gau-12722.EOu" message file "/scratch/webmo-13362/473906/Gau-12722.EMs" fchk file "/scratch/webmo-13362/473906/Gau-12722.EFC" mat. el file "/scratch/webmo-13362/473906/Gau-12722.EUF" Writing WrtUnf unformatted file "/scratch/webmo-13362/473906/Gau-12722.EUF" Gaussian matrix elements Version 2 NLab=11 Len12L=8 Len4L=8 Write SHELL TO ATOM MAP from file 0 offset 0 length 106 to matrix element file. Write SHELL TYPES from file 0 offset 0 length 106 to matrix element file. Write NUMBER OF PRIMITIVES PER SHELL from file 0 offset 0 length 106 to matrix element file. Write PRIMITIVE EXPONENTS from file 0 offset 0 length 269 to matrix element file. Write CONTRACTION COEFFICIENTS from file 0 offset 0 length 269 to matrix element file. Write P(S=P) CONTRACTION COEFFICIENTS from file 0 offset 0 length 269 to matrix element file. Write COORDINATES OF EACH SHELL from file 0 offset 0 length 318 to matrix element file. Write BONDS PER ATOM from file 0 offset 0 length 34 to matrix element file. Write BONDED ATOMS from file 0 offset 0 length 72 to matrix element file. Write BOND TYPES from file 0 offset 0 length 72 to matrix element file. Write ONIOM CHARGE/MULT from file 0 offset 0 length 32 to matrix element file. Write ONIOM ATOM LAYERS from file 0 offset 0 length 34 to matrix element file. Write ONIOM ATOM MODIFIERS from file 0 offset 0 length 34 to matrix element file. Write ONIOM ATOM TYPES from file 0 offset 0 length 34 to matrix element file. Write ONIOM LINK ATOMS from file 0 offset 0 length 34 to matrix element file. Write ONIOM LINK CHARGES from file 0 offset 0 length 34 to matrix element file. Write ONIOM LINK DISTANCES from file 0 offset 0 length 136 to matrix element file. Write SYMINF INTS from file 0 offset 0 length 26 to matrix element file. Write ROTTR TO SO from file 0 offset 0 length 12 to matrix element file. Write GAUSSIAN SCALARS from file 501 offset 0 to matrix element file. Write OPTIMIZATION FLAGS from file 0 offset 0 length 34 to matrix element file. Write INTEGER ISO from file 0 offset 0 length 34 to matrix element file. Write INTEGER SPIN from file 0 offset 0 length 34 to matrix element file. Write REAL ZEFFECTIVE from file 0 offset 0 length 34 to matrix element file. Write REAL GFACTOR from file 0 offset 0 length 34 to matrix element file. Write REAL ZNUCLEAR from file 0 offset 0 length 34 to matrix element file. Write MULLIKEN CHARGES from file 0 offset 0 length 34 to matrix element file. Write NUCLEAR GRADIENT from file 10584 offset 0 length 102 to matrix element file. Array NUCLEAR FORCE CONSTANTS on file 10585 does not exist. Write ELECTRIC DIPOLE MOMENT from file 0 offset 0 length 3 to matrix element file. Write NON-ADIABATIC COUPLING from file 10810 offset 0 length 102 to matrix element file. Write FINITE EM FIELD from file 10521 offset 0 length 35 to matrix element file. Write OVERLAP from file 10514 offset 0 length 49770 to matrix element file. Write CORE HAMILTONIAN ALPHA from file 10515 offset 0 length 49770 to matrix element file. Write CORE HAMILTONIAN BETA from file 10515 offset 49770 length 49770 to matrix element file. Write KINETIC ENERGY from file 10516 offset 0 length 49770 to matrix element file. Write ORTHOGONAL BASIS from file 10685 offset 0 length 99225 to matrix element file. Write DIPOLE INTEGRALS from file 10518 offset 0 length 149310 to matrix element file. Array DIP VEL INTEGRALS on file 10572 does not exist. Array R X DEL INTEGRALS on file 10572 does not exist. Write ALPHA ORBITAL ENERGIES from file 0 offset 0 length 315 to matrix element file. Write ALPHA MO COEFFICIENTS from file 10524 offset 0 length 99225 to matrix element file. Write ALPHA DENSITY MATRIX from file 0 offset 0 length 49770 to matrix element file. Write ALPHA FOCK MATRIX from file 10536 offset 0 length 49770 to matrix element file. Write ENERGY-WEIGHTED DENSITY from file 10571 offset 0 length 49770 to matrix element file. Write ALPHA SCF DENSITY MATRIX from file 0 offset 0 length 49770 to matrix element file. No 2e integrals to process. Perform NBO analysis... *********************************** NBO 7.0 *********************************** N A T U R A L A T O M I C O R B I T A L A N D N A T U R A L B O N D O R B I T A L A N A L Y S I S ***************************** UW-Madison (S101551) **************************** (c) Copyright 1996-2020 Board of Regents of the University of Wisconsin System on behalf of the Theoretical Chemistry Institute. All rights reserved. Cite this program [NBO 7.0.8 (11-Feb-2020)] as: NBO 7.0. E. D. Glendening, J. K. Badenhoop, A. E. Reed, J. E. Carpenter, J. A. Bohmann, C. M. Morales, P. Karafiloglou, C. R. Landis, and F. Weinhold, Theoretical Chemistry Institute, University of Wisconsin, Madison, WI (2018) /NRT / : Natural Resonance Theory Analysis /AOPNAO / : Write the AO to PNAO transformation to lfn32 /AOPNHO / : Write the AO to PNHO transformation to lfn34 /AOPNBO / : Write the AO to PNBO transformation to lfn36 /DMNAO / : Write the NAO density matrix to lfn82 /DMNHO / : Write the NHO density matrix to lfn84 /DMNBO / : Write the NBO density matrix to lfn86 /FNAO / : Write the NAO Fock matrix to lfn92 /FNHO / : Write the NHO Fock matrix to lfn94 /FNBO / : Write the NBO Fock matrix to lfn96 /FILE / : Set to NBODATA Filename set to NBODATA Job title: C19H15(+1) planar trityl D3d NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ------------------------------------------------------- 1 C 1 s Cor( 1s) 2.00000 -10.44029 2 C 1 s Val( 2s) 0.95737 -0.32270 3 C 1 s Ryd( 3s) 0.00009 1.01978 4 C 1 s Ryd( 4s) 0.00001 3.98151 5 C 1 px Val( 2p) 1.03180 -0.19216 6 C 1 px Ryd( 3p) 0.00409 1.07372 7 C 1 py Val( 2p) 1.03180 -0.19216 8 C 1 py Ryd( 3p) 0.00409 1.07372 9 C 1 pz Val( 2p) 0.73504 -0.27911 10 C 1 pz Ryd( 3p) 0.00031 0.54259 11 C 1 dxy Ryd( 3d) 0.00087 2.27531 12 C 1 dxz Ryd( 3d) 0.00059 1.69304 13 C 1 dyz Ryd( 3d) 0.00059 1.69304 14 C 1 dx2y2 Ryd( 3d) 0.00087 2.27531 15 C 1 dz2 Ryd( 3d) 0.00047 2.15911 16 C 2 s Cor( 1s) 2.00000 -10.37197 17 C 2 s Val( 2s) 0.90083 -0.24223 18 C 2 s Ryd( 3s) 0.00022 0.93902 19 C 2 s Ryd( 4s) 0.00005 4.11237 20 C 2 px Val( 2p) 1.05199 -0.17013 21 C 2 px Ryd( 3p) 0.00386 1.13081 22 C 2 py Val( 2p) 1.08858 -0.17608 23 C 2 py Ryd( 3p) 0.00549 0.98352 24 C 2 pz Val( 2p) 1.05029 -0.25982 25 C 2 pz Ryd( 3p) 0.00038 0.55716 26 C 2 dxy Ryd( 3d) 0.00079 2.41178 27 C 2 dxz Ryd( 3d) 0.00031 1.74595 28 C 2 dyz Ryd( 3d) 0.00051 1.74889 29 C 2 dx2y2 Ryd( 3d) 0.00087 2.22032 30 C 2 dz2 Ryd( 3d) 0.00053 2.20235 31 C 3 s Cor( 1s) 2.00000 -10.33602 32 C 3 s Val( 2s) 0.95105 -0.22159 33 C 3 s Ryd( 3s) 0.00050 0.97887 34 C 3 s Ryd( 4s) 0.00007 4.05790 35 C 3 px Val( 2p) 1.08627 -0.14639 36 C 3 px Ryd( 3p) 0.00290 0.81704 37 C 3 py Val( 2p) 1.15460 -0.15517 38 C 3 py Ryd( 3p) 0.00421 1.07443 39 C 3 pz Val( 2p) 0.93162 -0.24444 40 C 3 pz Ryd( 3p) 0.00036 0.50204 41 C 3 dxy Ryd( 3d) 0.00090 2.24506 42 C 3 dxz Ryd( 3d) 0.00056 1.77462 43 C 3 dyz Ryd( 3d) 0.00029 1.65481 44 C 3 dx2y2 Ryd( 3d) 0.00095 2.32634 45 C 3 dz2 Ryd( 3d) 0.00072 2.10947 46 C 4 s Cor( 1s) 2.00000 -10.32402 47 C 4 s Val( 2s) 0.97276 -0.22446 48 C 4 s Ryd( 3s) 0.00072 1.11595 49 C 4 s Ryd( 4s) 0.00006 3.90824 50 C 4 px Val( 2p) 1.08341 -0.13442 51 C 4 px Ryd( 3p) 0.00429 0.66230 52 C 4 py Val( 2p) 1.17962 -0.16583 53 C 4 py Ryd( 3p) 0.00540 0.91892 54 C 4 pz Val( 2p) 0.98332 -0.23330 55 C 4 pz Ryd( 3p) 0.00044 0.49874 56 C 4 dxy Ryd( 3d) 0.00101 2.26473 57 C 4 dxz Ryd( 3d) 0.00042 1.78496 58 C 4 dyz Ryd( 3d) 0.00041 1.69677 59 C 4 dx2y2 Ryd( 3d) 0.00093 2.25968 60 C 4 dz2 Ryd( 3d) 0.00073 2.12902 61 C 5 s Cor( 1s) 2.00000 -10.33508 62 C 5 s Val( 2s) 0.98410 -0.23105 63 C 5 s Ryd( 3s) 0.00043 1.28212 64 C 5 s Ryd( 4s) 0.00004 3.72152 65 C 5 px Val( 2p) 1.21346 -0.17341 66 C 5 px Ryd( 3p) 0.00525 1.00005 67 C 5 py Val( 2p) 1.05403 -0.12745 68 C 5 py Ryd( 3p) 0.00418 0.55465 69 C 5 pz Val( 2p) 0.86678 -0.23138 70 C 5 pz Ryd( 3p) 0.00038 0.49158 71 C 5 dxy Ryd( 3d) 0.00090 2.26756 72 C 5 dxz Ryd( 3d) 0.00048 1.66970 73 C 5 dyz Ryd( 3d) 0.00052 1.80146 74 C 5 dx2y2 Ryd( 3d) 0.00108 2.20114 75 C 5 dz2 Ryd( 3d) 0.00074 2.12019 76 C 6 s Cor( 1s) 2.00000 -10.32402 77 C 6 s Val( 2s) 0.97276 -0.22446 78 C 6 s Ryd( 3s) 0.00072 1.11595 79 C 6 s Ryd( 4s) 0.00006 3.90823 80 C 6 px Val( 2p) 1.08341 -0.13442 81 C 6 px Ryd( 3p) 0.00429 0.66230 82 C 6 py Val( 2p) 1.17962 -0.16583 83 C 6 py Ryd( 3p) 0.00540 0.91892 84 C 6 pz Val( 2p) 0.98332 -0.23330 85 C 6 pz Ryd( 3p) 0.00044 0.49874 86 C 6 dxy Ryd( 3d) 0.00101 2.26473 87 C 6 dxz Ryd( 3d) 0.00042 1.78496 88 C 6 dyz Ryd( 3d) 0.00041 1.69677 89 C 6 dx2y2 Ryd( 3d) 0.00093 2.25968 90 C 6 dz2 Ryd( 3d) 0.00073 2.12902 91 C 7 s Cor( 1s) 2.00000 -10.33602 92 C 7 s Val( 2s) 0.95105 -0.22159 93 C 7 s Ryd( 3s) 0.00050 0.97887 94 C 7 s Ryd( 4s) 0.00007 4.05790 95 C 7 px Val( 2p) 1.08627 -0.14639 96 C 7 px Ryd( 3p) 0.00290 0.81704 97 C 7 py Val( 2p) 1.15460 -0.15517 98 C 7 py Ryd( 3p) 0.00421 1.07443 99 C 7 pz Val( 2p) 0.93162 -0.24444 100 C 7 pz Ryd( 3p) 0.00036 0.50204 101 C 7 dxy Ryd( 3d) 0.00090 2.24506 102 C 7 dxz Ryd( 3d) 0.00056 1.77462 103 C 7 dyz Ryd( 3d) 0.00029 1.65481 104 C 7 dx2y2 Ryd( 3d) 0.00095 2.32634 105 C 7 dz2 Ryd( 3d) 0.00072 2.10947 106 H 8 s Val( 1s) 0.77785 0.03214 107 H 8 s Ryd( 2s) 0.00179 0.67566 108 H 9 s Val( 1s) 0.73697 -0.00090 109 H 9 s Ryd( 2s) 0.00073 0.46063 110 H 10 s Val( 1s) 0.73460 -0.00142 111 H 10 s Ryd( 2s) 0.00064 0.45140 112 H 11 s Val( 1s) 0.73697 -0.00090 113 H 11 s Ryd( 2s) 0.00073 0.46063 114 H 12 s Val( 1s) 0.77785 0.03214 115 H 12 s Ryd( 2s) 0.00179 0.67566 116 C 13 s Cor( 1s) 2.00000 -10.37197 117 C 13 s Val( 2s) 0.90083 -0.24223 118 C 13 s Ryd( 3s) 0.00022 0.93902 119 C 13 s Ryd( 4s) 0.00005 4.11237 120 C 13 px Val( 2p) 1.07944 -0.17459 121 C 13 px Ryd( 3p) 0.00508 1.02034 122 C 13 py Val( 2p) 1.06114 -0.17162 123 C 13 py Ryd( 3p) 0.00427 1.09399 124 C 13 pz Val( 2p) 1.05029 -0.25982 125 C 13 pz Ryd( 3p) 0.00038 0.55716 126 C 13 dxy Ryd( 3d) 0.00085 2.26819 127 C 13 dxz Ryd( 3d) 0.00046 1.74816 128 C 13 dyz Ryd( 3d) 0.00036 1.74669 129 C 13 dx2y2 Ryd( 3d) 0.00081 2.36392 130 C 13 dz2 Ryd( 3d) 0.00053 2.20235 131 C 14 s Cor( 1s) 2.00000 -10.33602 132 C 14 s Val( 2s) 0.95105 -0.22159 133 C 14 s Ryd( 3s) 0.00050 0.97887 134 C 14 s Ryd( 4s) 0.00007 4.05790 135 C 14 px Val( 2p) 1.18400 -0.17101 136 C 14 px Ryd( 3p) 0.00462 1.05288 137 C 14 py Val( 2p) 1.05687 -0.13055 138 C 14 py Ryd( 3p) 0.00249 0.83860 139 C 14 pz Val( 2p) 0.93162 -0.24444 140 C 14 pz Ryd( 3p) 0.00036 0.50204 141 C 14 dxy Ryd( 3d) 0.00076 2.29601 142 C 14 dxz Ryd( 3d) 0.00026 1.63209 143 C 14 dyz Ryd( 3d) 0.00059 1.79734 144 C 14 dx2y2 Ryd( 3d) 0.00110 2.27538 145 C 14 dz2 Ryd( 3d) 0.00072 2.10947 146 C 15 s Cor( 1s) 2.00000 -10.32402 147 C 15 s Val( 2s) 0.97276 -0.22446 148 C 15 s Ryd( 3s) 0.00072 1.11595 149 C 15 s Ryd( 4s) 0.00006 3.90823 150 C 15 px Val( 2p) 1.09919 -0.13886 151 C 15 px Ryd( 3p) 0.00457 0.71184 152 C 15 py Val( 2p) 1.16384 -0.16139 153 C 15 py Ryd( 3p) 0.00513 0.86939 154 C 15 pz Val( 2p) 0.98332 -0.23330 155 C 15 pz Ryd( 3p) 0.00044 0.49874 156 C 15 dxy Ryd( 3d) 0.00100 2.25202 157 C 15 dxz Ryd( 3d) 0.00042 1.77560 158 C 15 dyz Ryd( 3d) 0.00041 1.70613 159 C 15 dx2y2 Ryd( 3d) 0.00093 2.27240 160 C 15 dz2 Ryd( 3d) 0.00073 2.12902 161 C 16 s Cor( 1s) 2.00000 -10.33508 162 C 16 s Val( 2s) 0.98410 -0.23105 163 C 16 s Ryd( 3s) 0.00043 1.28212 164 C 16 s Ryd( 4s) 0.00004 3.72152 165 C 16 px Val( 2p) 1.09389 -0.13894 166 C 16 px Ryd( 3p) 0.00445 0.66600 167 C 16 py Val( 2p) 1.17360 -0.16192 168 C 16 py Ryd( 3p) 0.00498 0.88870 169 C 16 pz Val( 2p) 0.86678 -0.23138 170 C 16 pz Ryd( 3p) 0.00038 0.49158 171 C 16 dxy Ryd( 3d) 0.00103 2.21775 172 C 16 dxz Ryd( 3d) 0.00051 1.76852 173 C 16 dyz Ryd( 3d) 0.00049 1.70264 174 C 16 dx2y2 Ryd( 3d) 0.00095 2.25096 175 C 16 dz2 Ryd( 3d) 0.00074 2.12019 176 C 17 s Cor( 1s) 2.00000 -10.32402 177 C 17 s Val( 2s) 0.97276 -0.22446 178 C 17 s Ryd( 3s) 0.00072 1.11595 179 C 17 s Ryd( 4s) 0.00006 3.90824 180 C 17 px Val( 2p) 1.21195 -0.17709 181 C 17 px Ryd( 3p) 0.00568 0.99769 182 C 17 py Val( 2p) 1.05108 -0.12315 183 C 17 py Ryd( 3p) 0.00401 0.58353 184 C 17 pz Val( 2p) 0.98332 -0.23330 185 C 17 pz Ryd( 3p) 0.00044 0.49874 186 C 17 dxy Ryd( 3d) 0.00089 2.26987 187 C 17 dxz Ryd( 3d) 0.00040 1.66204 188 C 17 dyz Ryd( 3d) 0.00043 1.81970 189 C 17 dx2y2 Ryd( 3d) 0.00105 2.25455 190 C 17 dz2 Ryd( 3d) 0.00073 2.12902 191 C 18 s Cor( 1s) 2.00000 -10.33602 192 C 18 s Val( 2s) 0.95105 -0.22159 193 C 18 s Ryd( 3s) 0.00050 0.97887 194 C 18 s Ryd( 4s) 0.00007 4.05790 195 C 18 px Val( 2p) 1.09103 -0.13494 196 C 18 px Ryd( 3p) 0.00315 0.96729 197 C 18 py Val( 2p) 1.14983 -0.16662 198 C 18 py Ryd( 3p) 0.00397 0.92418 199 C 18 pz Val( 2p) 0.93162 -0.24444 200 C 18 pz Ryd( 3p) 0.00036 0.50204 201 C 18 dxy Ryd( 3d) 0.00112 2.31602 202 C 18 dxz Ryd( 3d) 0.00046 1.73744 203 C 18 dyz Ryd( 3d) 0.00039 1.69199 204 C 18 dx2y2 Ryd( 3d) 0.00074 2.25537 205 C 18 dz2 Ryd( 3d) 0.00072 2.10947 206 H 19 s Val( 1s) 0.77785 0.03214 207 H 19 s Ryd( 2s) 0.00179 0.67566 208 H 20 s Val( 1s) 0.73697 -0.00090 209 H 20 s Ryd( 2s) 0.00073 0.46063 210 H 21 s Val( 1s) 0.73460 -0.00142 211 H 21 s Ryd( 2s) 0.00064 0.45140 212 H 22 s Val( 1s) 0.73697 -0.00090 213 H 22 s Ryd( 2s) 0.00073 0.46063 214 H 23 s Val( 1s) 0.77785 0.03214 215 H 23 s Ryd( 2s) 0.00179 0.67566 216 C 24 s Cor( 1s) 2.00000 -10.37197 217 C 24 s Val( 2s) 0.90083 -0.24223 218 C 24 s Ryd( 3s) 0.00022 0.93902 219 C 24 s Ryd( 4s) 0.00005 4.11237 220 C 24 px Val( 2p) 1.07944 -0.17459 221 C 24 px Ryd( 3p) 0.00508 1.02034 222 C 24 py Val( 2p) 1.06114 -0.17162 223 C 24 py Ryd( 3p) 0.00427 1.09399 224 C 24 pz Val( 2p) 1.05029 -0.25982 225 C 24 pz Ryd( 3p) 0.00038 0.55716 226 C 24 dxy Ryd( 3d) 0.00085 2.26819 227 C 24 dxz Ryd( 3d) 0.00046 1.74816 228 C 24 dyz Ryd( 3d) 0.00036 1.74669 229 C 24 dx2y2 Ryd( 3d) 0.00081 2.36392 230 C 24 dz2 Ryd( 3d) 0.00053 2.20235 231 C 25 s Cor( 1s) 2.00000 -10.33602 232 C 25 s Val( 2s) 0.95105 -0.22159 233 C 25 s Ryd( 3s) 0.00050 0.97887 234 C 25 s Ryd( 4s) 0.00007 4.05790 235 C 25 px Val( 2p) 1.09103 -0.13494 236 C 25 px Ryd( 3p) 0.00315 0.96729 237 C 25 py Val( 2p) 1.14983 -0.16662 238 C 25 py Ryd( 3p) 0.00397 0.92418 239 C 25 pz Val( 2p) 0.93162 -0.24444 240 C 25 pz Ryd( 3p) 0.00036 0.50204 241 C 25 dxy Ryd( 3d) 0.00112 2.31602 242 C 25 dxz Ryd( 3d) 0.00046 1.73744 243 C 25 dyz Ryd( 3d) 0.00039 1.69199 244 C 25 dx2y2 Ryd( 3d) 0.00074 2.25537 245 C 25 dz2 Ryd( 3d) 0.00072 2.10947 246 C 26 s Cor( 1s) 2.00000 -10.32402 247 C 26 s Val( 2s) 0.97276 -0.22446 248 C 26 s Ryd( 3s) 0.00072 1.11595 249 C 26 s Ryd( 4s) 0.00006 3.90823 250 C 26 px Val( 2p) 1.21195 -0.17709 251 C 26 px Ryd( 3p) 0.00568 0.99769 252 C 26 py Val( 2p) 1.05108 -0.12315 253 C 26 py Ryd( 3p) 0.00401 0.58353 254 C 26 pz Val( 2p) 0.98332 -0.23330 255 C 26 pz Ryd( 3p) 0.00044 0.49874 256 C 26 dxy Ryd( 3d) 0.00089 2.26987 257 C 26 dxz Ryd( 3d) 0.00040 1.66204 258 C 26 dyz Ryd( 3d) 0.00043 1.81970 259 C 26 dx2y2 Ryd( 3d) 0.00105 2.25455 260 C 26 dz2 Ryd( 3d) 0.00073 2.12902 261 C 27 s Cor( 1s) 2.00000 -10.33508 262 C 27 s Val( 2s) 0.98410 -0.23105 263 C 27 s Ryd( 3s) 0.00043 1.28212 264 C 27 s Ryd( 4s) 0.00004 3.72152 265 C 27 px Val( 2p) 1.09389 -0.13894 266 C 27 px Ryd( 3p) 0.00445 0.66600 267 C 27 py Val( 2p) 1.17360 -0.16192 268 C 27 py Ryd( 3p) 0.00498 0.88870 269 C 27 pz Val( 2p) 0.86678 -0.23138 270 C 27 pz Ryd( 3p) 0.00038 0.49158 271 C 27 dxy Ryd( 3d) 0.00103 2.21775 272 C 27 dxz Ryd( 3d) 0.00051 1.76852 273 C 27 dyz Ryd( 3d) 0.00049 1.70264 274 C 27 dx2y2 Ryd( 3d) 0.00095 2.25096 275 C 27 dz2 Ryd( 3d) 0.00074 2.12019 276 C 28 s Cor( 1s) 2.00000 -10.32402 277 C 28 s Val( 2s) 0.97276 -0.22446 278 C 28 s Ryd( 3s) 0.00072 1.11595 279 C 28 s Ryd( 4s) 0.00006 3.90824 280 C 28 px Val( 2p) 1.09919 -0.13886 281 C 28 px Ryd( 3p) 0.00457 0.71184 282 C 28 py Val( 2p) 1.16384 -0.16139 283 C 28 py Ryd( 3p) 0.00513 0.86939 284 C 28 pz Val( 2p) 0.98332 -0.23330 285 C 28 pz Ryd( 3p) 0.00044 0.49874 286 C 28 dxy Ryd( 3d) 0.00100 2.25202 287 C 28 dxz Ryd( 3d) 0.00042 1.77560 288 C 28 dyz Ryd( 3d) 0.00041 1.70613 289 C 28 dx2y2 Ryd( 3d) 0.00093 2.27240 290 C 28 dz2 Ryd( 3d) 0.00073 2.12902 291 C 29 s Cor( 1s) 2.00000 -10.33602 292 C 29 s Val( 2s) 0.95105 -0.22159 293 C 29 s Ryd( 3s) 0.00050 0.97887 294 C 29 s Ryd( 4s) 0.00007 4.05790 295 C 29 px Val( 2p) 1.18400 -0.17101 296 C 29 px Ryd( 3p) 0.00462 1.05288 297 C 29 py Val( 2p) 1.05687 -0.13055 298 C 29 py Ryd( 3p) 0.00249 0.83860 299 C 29 pz Val( 2p) 0.93162 -0.24444 300 C 29 pz Ryd( 3p) 0.00036 0.50204 301 C 29 dxy Ryd( 3d) 0.00076 2.29601 302 C 29 dxz Ryd( 3d) 0.00026 1.63209 303 C 29 dyz Ryd( 3d) 0.00059 1.79734 304 C 29 dx2y2 Ryd( 3d) 0.00110 2.27538 305 C 29 dz2 Ryd( 3d) 0.00072 2.10947 306 H 30 s Val( 1s) 0.77785 0.03214 307 H 30 s Ryd( 2s) 0.00179 0.67566 308 H 31 s Val( 1s) 0.73697 -0.00090 309 H 31 s Ryd( 2s) 0.00073 0.46063 310 H 32 s Val( 1s) 0.73460 -0.00142 311 H 32 s Ryd( 2s) 0.00064 0.45140 312 H 33 s Val( 1s) 0.73697 -0.00090 313 H 33 s Ryd( 2s) 0.00073 0.46063 314 H 34 s Val( 1s) 0.77785 0.03214 315 H 34 s Ryd( 2s) 0.00179 0.67566 Summary of Natural Population Analysis: Natural Population Natural --------------------------------------------- Atom No Charge Core Valence Rydberg Total -------------------------------------------------------------------- C 1 0.23203 2.00000 3.75601 0.01197 5.76797 C 2 -0.10471 2.00000 4.09170 0.01301 6.10471 C 3 -0.13501 2.00000 4.12354 0.01147 6.13501 C 4 -0.23351 2.00000 4.21910 0.01441 6.23351 C 5 -0.13235 2.00000 4.11836 0.01399 6.13235 C 6 -0.23351 2.00000 4.21910 0.01441 6.23351 C 7 -0.13501 2.00000 4.12354 0.01147 6.13501 H 8 0.22036 0.00000 0.77785 0.00179 0.77964 H 9 0.26230 0.00000 0.73697 0.00073 0.73770 H 10 0.26476 0.00000 0.73460 0.00064 0.73524 H 11 0.26230 0.00000 0.73697 0.00073 0.73770 H 12 0.22036 0.00000 0.77785 0.00179 0.77964 C 13 -0.10471 2.00000 4.09170 0.01301 6.10471 C 14 -0.13501 2.00000 4.12354 0.01147 6.13501 C 15 -0.23351 2.00000 4.21910 0.01441 6.23351 C 16 -0.13235 2.00000 4.11836 0.01399 6.13235 C 17 -0.23351 2.00000 4.21910 0.01441 6.23351 C 18 -0.13501 2.00000 4.12354 0.01147 6.13501 H 19 0.22036 0.00000 0.77785 0.00179 0.77964 H 20 0.26230 0.00000 0.73697 0.00073 0.73770 H 21 0.26476 0.00000 0.73460 0.00064 0.73524 H 22 0.26230 0.00000 0.73697 0.00073 0.73770 H 23 0.22036 0.00000 0.77785 0.00179 0.77964 C 24 -0.10471 2.00000 4.09170 0.01301 6.10471 C 25 -0.13501 2.00000 4.12354 0.01147 6.13501 C 26 -0.23351 2.00000 4.21910 0.01441 6.23351 C 27 -0.13235 2.00000 4.11836 0.01399 6.13235 C 28 -0.23351 2.00000 4.21910 0.01441 6.23351 C 29 -0.13501 2.00000 4.12354 0.01147 6.13501 H 30 0.22036 0.00000 0.77785 0.00179 0.77964 H 31 0.26230 0.00000 0.73697 0.00073 0.73770 H 32 0.26476 0.00000 0.73460 0.00064 0.73524 H 33 0.26230 0.00000 0.73697 0.00073 0.73770 H 34 0.22036 0.00000 0.77785 0.00179 0.77964 ==================================================================== * Total * 1.00000 37.99993 89.73475 0.26532 128.00000 Natural Population --------------------------------------------------------- Core 37.99993 ( 99.9998% of 38) Valence 89.73475 ( 99.7053% of 90) Natural Minimal Basis 127.73468 ( 99.7927% of 128) Natural Rydberg Basis 0.26532 ( 0.2073% of 128) --------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2s( 0.96)2p( 2.80)3p( 0.01) C 2 [core]2s( 0.90)2p( 3.19)3p( 0.01) C 3 [core]2s( 0.95)2p( 3.17)3p( 0.01) C 4 [core]2s( 0.97)2p( 3.25)3p( 0.01) C 5 [core]2s( 0.98)2p( 3.13)3p( 0.01) C 6 [core]2s( 0.97)2p( 3.25)3p( 0.01) C 7 [core]2s( 0.95)2p( 3.17)3p( 0.01) H 8 1s( 0.78) H 9 1s( 0.74) H 10 1s( 0.73) H 11 1s( 0.74) H 12 1s( 0.78) C 13 [core]2s( 0.90)2p( 3.19)3p( 0.01) C 14 [core]2s( 0.95)2p( 3.17)3p( 0.01) C 15 [core]2s( 0.97)2p( 3.25)3p( 0.01) C 16 [core]2s( 0.98)2p( 3.13)3p( 0.01) C 17 [core]2s( 0.97)2p( 3.25)3p( 0.01) C 18 [core]2s( 0.95)2p( 3.17)3p( 0.01) H 19 1s( 0.78) H 20 1s( 0.74) H 21 1s( 0.73) H 22 1s( 0.74) H 23 1s( 0.78) C 24 [core]2s( 0.90)2p( 3.19)3p( 0.01) C 25 [core]2s( 0.95)2p( 3.17)3p( 0.01) C 26 [core]2s( 0.97)2p( 3.25)3p( 0.01) C 27 [core]2s( 0.98)2p( 3.13)3p( 0.01) C 28 [core]2s( 0.97)2p( 3.25)3p( 0.01) C 29 [core]2s( 0.95)2p( 3.17)3p( 0.01) H 30 1s( 0.78) H 31 1s( 0.74) H 32 1s( 0.73) H 33 1s( 0.74) H 34 1s( 0.78) NATURAL BOND ORBITAL ANALYSIS: Occupancies Lewis Structure Low High Max Occ ------------------- ----------------- occ occ Cycle Ctr Thresh Lewis non-Lewis CR BD nC LP (L) (NL) ============================================================================ 1 2 1.90 118.29671 9.70329 19 36 0 9 9 10 2 2 1.66 122.38274 5.61726 19 42 0 3 3 10 3 2 1.56 123.60944 4.39056 19 45 0 0 0 10 ---------------------------------------------------------------------------- Structure accepted: No low occupancy Lewis orbitals ------------------------------------------------------- Core 37.99993 (100.000% of 38) Valence Lewis 85.60951 ( 95.122% of 90) ================== ============================= Total Lewis 123.60944 ( 96.570% of 128) ----------------------------------------------------- Valence non-Lewis 4.20608 ( 3.286% of 128) Rydberg non-Lewis 0.18448 ( 0.144% of 128) ================== ============================= Total non-Lewis 4.39056 ( 3.430% of 128) ------------------------------------------------------- (Occupancy) Bond orbital / Coefficients / Hybrids ------------------ Lewis ------------------------------------------------------ 1. (2.00000) CR ( 1) C 1 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2. (2.00000) CR ( 1) C 2 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3. (2.00000) CR ( 1) C 3 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4. (2.00000) CR ( 1) C 4 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5. (2.00000) CR ( 1) C 5 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6. (2.00000) CR ( 1) C 6 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7. (2.00000) CR ( 1) C 7 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 8. (2.00000) CR ( 1) C 13 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 9. (2.00000) CR ( 1) C 14 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10. (2.00000) CR ( 1) C 15 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 11. (2.00000) CR ( 1) C 16 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. (2.00000) CR ( 1) C 17 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. (2.00000) CR ( 1) C 18 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14. (2.00000) CR ( 1) C 24 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. (2.00000) CR ( 1) C 25 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 16. (2.00000) CR ( 1) C 26 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. (2.00000) CR ( 1) C 27 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 18. (2.00000) CR ( 1) C 28 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 19. (2.00000) CR ( 1) C 29 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. (1.98299) BD ( 1) C 1- C 2 ( 50.32%) 0.7093* C 1 s( 33.32%)p 2.00( 66.63%)d 0.00( 0.06%) 0.0000 0.5772 -0.0004 0.0000 0.8162 -0.0050 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0200 -0.0127 ( 49.68%) 0.7049* C 2 s( 33.36%)p 2.00( 66.58%)d 0.00( 0.06%) 0.0000 0.5776 0.0010 0.0010 -0.8158 0.0167 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0204 -0.0137 21. (1.98299) BD ( 1) C 1- C 13 ( 50.32%) 0.7093* C 1 s( 33.32%)p 2.00( 66.63%)d 0.00( 0.06%) 0.0000 0.5772 -0.0004 0.0000 -0.4081 0.0025 0.7069 -0.0043 0.0000 0.0000 -0.0173 0.0000 0.0000 -0.0100 -0.0127 ( 49.68%) 0.7049* C 13 s( 33.36%)p 2.00( 66.58%)d 0.00( 0.06%) 0.0000 0.5776 0.0010 0.0010 0.4079 -0.0084 -0.7065 0.0145 0.0000 0.0000 -0.0177 0.0000 0.0000 -0.0102 -0.0137 22. (1.98299) BD ( 1) C 1- C 24 ( 50.32%) 0.7093* C 1 s( 33.32%)p 2.00( 66.63%)d 0.00( 0.06%) 0.0000 0.5772 -0.0004 0.0000 -0.4081 0.0025 -0.7069 0.0043 0.0000 0.0000 0.0173 0.0000 0.0000 -0.0100 -0.0127 ( 49.68%) 0.7049* C 24 s( 33.36%)p 2.00( 66.58%)d 0.00( 0.06%) 0.0000 0.5776 0.0010 0.0010 0.4079 -0.0084 0.7065 -0.0145 0.0000 0.0000 0.0177 0.0000 0.0000 -0.0102 -0.0137 23. (1.97819) BD ( 1) C 2- C 3 ( 51.29%) 0.7161* C 2 s( 33.29%)p 2.00( 66.66%)d 0.00( 0.05%) 0.0000 0.5770 -0.0012 -0.0006 0.4084 -0.0080 0.7068 0.0100 0.0000 0.0000 0.0167 0.0000 0.0000 -0.0053 -0.0140 ( 48.71%) 0.6980* C 3 s( 35.24%)p 1.84( 64.69%)d 0.00( 0.07%) 0.0000 0.5936 -0.0045 -0.0025 -0.4872 -0.0135 -0.6398 0.0102 0.0000 0.0000 0.0203 0.0000 0.0000 -0.0054 -0.0153 24. (1.97819) BD ( 1) C 2- C 7 ( 51.29%) 0.7161* C 2 s( 33.29%)p 2.00( 66.66%)d 0.00( 0.05%) 0.0000 0.5770 -0.0012 -0.0006 0.4084 -0.0080 -0.7068 -0.0100 0.0000 0.0000 -0.0167 0.0000 0.0000 -0.0053 -0.0140 ( 48.71%) 0.6980* C 7 s( 35.24%)p 1.84( 64.69%)d 0.00( 0.07%) 0.0000 0.5936 -0.0045 -0.0025 -0.4872 -0.0135 0.6398 -0.0102 0.0000 0.0000 -0.0203 0.0000 0.0000 -0.0054 -0.0153 25. (1.56399) BD ( 2) C 2- C 7 ( 55.17%) 0.7428* C 2 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9999 0.0035 0.0000 0.0081 -0.0094 0.0000 0.0000 ( 44.83%) 0.6695* C 7 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9998 0.0052 0.0000 -0.0008 0.0183 0.0000 0.0000 26. (1.97933) BD ( 1) C 3- C 4 ( 50.59%) 0.7113* C 3 s( 36.18%)p 1.76( 63.76%)d 0.00( 0.06%) 0.0000 0.6014 -0.0076 -0.0015 0.7965 0.0175 -0.0483 0.0233 0.0000 0.0000 -0.0022 0.0000 0.0000 0.0183 -0.0158 ( 49.41%) 0.7029* C 4 s( 35.21%)p 1.84( 64.72%)d 0.00( 0.07%) 0.0000 0.5933 -0.0096 -0.0005 -0.8036 -0.0167 -0.0185 0.0295 0.0000 0.0000 0.0049 0.0000 0.0000 0.0201 -0.0161 27. (1.66481) BD ( 2) C 3- C 4 ( 48.16%) 0.6940* C 3 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9998 -0.0013 0.0000 0.0193 -0.0071 0.0000 0.0000 ( 51.84%) 0.7200* C 4 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9997 -0.0090 0.0000 -0.0174 -0.0124 0.0000 0.0000 28. (1.96888) BD ( 1) C 3- H 12 ( 61.20%) 0.7823* C 3 s( 28.49%)p 2.51( 71.43%)d 0.00( 0.08%) 0.0000 0.5337 0.0095 0.0034 -0.3564 0.0150 0.7662 -0.0081 0.0000 0.0000 -0.0140 0.0000 0.0000 -0.0175 -0.0159 ( 38.80%) 0.6229* H 12 s(100.00%) 1.0000 -0.0005 29. (1.98265) BD ( 1) C 4- C 5 ( 50.06%) 0.7075* C 4 s( 35.00%)p 1.86( 64.93%)d 0.00( 0.07%) 0.0000 0.5915 -0.0093 -0.0011 0.4515 0.0369 -0.6664 0.0045 0.0000 0.0000 -0.0179 0.0000 0.0000 -0.0104 -0.0155 ( 49.94%) 0.7067* C 5 s( 34.72%)p 1.88( 65.21%)d 0.00( 0.07%) 0.0000 0.5892 -0.0085 -0.0001 -0.3898 0.0226 0.7061 0.0313 0.0000 0.0000 -0.0196 0.0000 0.0000 -0.0072 -0.0162 30. (1.98130) BD ( 1) C 4- H 11 ( 63.18%) 0.7949* C 4 s( 29.74%)p 2.36( 70.19%)d 0.00( 0.07%) 0.0000 0.5451 0.0147 0.0014 0.3846 -0.0044 0.7440 -0.0183 0.0000 0.0000 0.0175 0.0000 0.0000 -0.0129 -0.0156 ( 36.82%) 0.6068* H 11 s(100.00%) 1.0000 0.0018 31. (1.98265) BD ( 1) C 5- C 6 ( 49.94%) 0.7067* C 5 s( 34.72%)p 1.88( 65.21%)d 0.00( 0.07%) 0.0000 0.5892 -0.0085 -0.0001 -0.3898 0.0226 -0.7061 -0.0313 0.0000 0.0000 0.0196 0.0000 0.0000 -0.0072 -0.0162 ( 50.06%) 0.7075* C 6 s( 35.00%)p 1.86( 64.93%)d 0.00( 0.07%) 0.0000 0.5915 -0.0093 -0.0011 0.4515 0.0369 0.6664 -0.0045 0.0000 0.0000 0.0179 0.0000 0.0000 -0.0104 -0.0155 32. (1.56005) BD ( 2) C 5- C 6 ( 45.41%) 0.6739* C 5 s( 0.00%)p 1.00( 99.93%)d 0.00( 0.07%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 -0.0089 0.0000 -0.0235 -0.0111 0.0000 0.0000 ( 54.59%) 0.7389* C 6 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9997 -0.0090 0.0000 -0.0049 0.0208 0.0000 0.0000 33. (1.98394) BD ( 1) C 5- H 10 ( 63.36%) 0.7960* C 5 s( 30.48%)p 2.28( 69.45%)d 0.00( 0.07%) 0.0000 0.5519 0.0132 0.0002 0.8331 -0.0191 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0221 -0.0150 ( 36.64%) 0.6053* H 10 s(100.00%) 1.0000 0.0018 34. (1.97933) BD ( 1) C 6- C 7 ( 49.41%) 0.7029* C 6 s( 35.21%)p 1.84( 64.72%)d 0.00( 0.07%) 0.0000 0.5933 -0.0096 -0.0005 -0.8036 -0.0167 0.0185 -0.0295 0.0000 0.0000 -0.0049 0.0000 0.0000 0.0201 -0.0161 ( 50.59%) 0.7113* C 7 s( 36.18%)p 1.76( 63.76%)d 0.00( 0.06%) 0.0000 0.6014 -0.0076 -0.0015 0.7965 0.0175 0.0483 -0.0233 0.0000 0.0000 0.0022 0.0000 0.0000 0.0183 -0.0158 35. (1.98130) BD ( 1) C 6- H 9 ( 63.18%) 0.7949* C 6 s( 29.74%)p 2.36( 70.19%)d 0.00( 0.07%) 0.0000 0.5451 0.0147 0.0014 0.3846 -0.0044 -0.7440 0.0183 0.0000 0.0000 -0.0175 0.0000 0.0000 -0.0129 -0.0156 ( 36.82%) 0.6068* H 9 s(100.00%) 1.0000 0.0018 36. (1.96888) BD ( 1) C 7- H 8 ( 61.20%) 0.7823* C 7 s( 28.49%)p 2.51( 71.43%)d 0.00( 0.08%) 0.0000 0.5337 0.0095 0.0034 -0.3564 0.0150 -0.7662 0.0081 0.0000 0.0000 0.0140 0.0000 0.0000 -0.0175 -0.0159 ( 38.80%) 0.6229* H 8 s(100.00%) 1.0000 -0.0005 37. (1.97819) BD ( 1) C 13- C 14 ( 51.29%) 0.7161* C 13 s( 33.29%)p 2.00( 66.66%)d 0.00( 0.05%) 0.0000 0.5770 -0.0012 -0.0006 0.4079 0.0127 0.7071 -0.0019 0.0000 0.0000 0.0129 0.0000 0.0000 -0.0118 -0.0140 ( 48.71%) 0.6980* C 14 s( 35.24%)p 1.84( 64.69%)d 0.00( 0.07%) 0.0000 0.5936 -0.0045 -0.0025 -0.3104 0.0155 -0.7418 -0.0066 0.0000 0.0000 0.0148 0.0000 0.0000 -0.0149 -0.0153 38. (1.56399) BD ( 2) C 13- C 14 ( 55.17%) 0.7428* C 13 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9999 0.0035 0.0000 0.0040 0.0117 0.0000 0.0000 ( 44.83%) 0.6695* C 14 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9998 0.0052 0.0000 -0.0154 -0.0099 0.0000 0.0000 39. (1.97819) BD ( 1) C 13- C 18 ( 51.29%) 0.7161* C 13 s( 33.29%)p 2.00( 66.66%)d 0.00( 0.05%) 0.0000 0.5770 -0.0012 -0.0006 -0.8163 -0.0047 0.0003 -0.0120 0.0000 0.0000 -0.0037 0.0000 0.0000 0.0171 -0.0140 ( 48.71%) 0.6980* C 18 s( 35.24%)p 1.84( 64.69%)d 0.00( 0.07%) 0.0000 0.5936 -0.0045 -0.0025 0.7976 -0.0021 -0.1021 -0.0167 0.0000 0.0000 -0.0055 0.0000 0.0000 0.0203 -0.0153 40. (1.97933) BD ( 1) C 14- C 15 ( 50.59%) 0.7113* C 14 s( 36.18%)p 1.76( 63.76%)d 0.00( 0.06%) 0.0000 0.6014 -0.0076 -0.0015 -0.4401 0.0114 0.6656 0.0268 0.0000 0.0000 -0.0169 0.0000 0.0000 -0.0072 -0.0158 ( 49.41%) 0.7029* C 15 s( 35.21%)p 1.84( 64.72%)d 0.00( 0.07%) 0.0000 0.5933 -0.0096 -0.0005 0.3857 0.0339 -0.7052 0.0003 0.0000 0.0000 -0.0150 0.0000 0.0000 -0.0143 -0.0161 41. (1.96888) BD ( 1) C 14- H 23 ( 61.20%) 0.7823* C 14 s( 28.49%)p 2.51( 71.43%)d 0.00( 0.08%) 0.0000 0.5337 0.0095 0.0034 0.8417 -0.0145 0.0744 0.0090 0.0000 0.0000 0.0082 0.0000 0.0000 0.0209 -0.0159 ( 38.80%) 0.6229* H 23 s(100.00%) 1.0000 -0.0005 42. (1.98265) BD ( 1) C 15- C 16 ( 50.06%) 0.7075* C 15 s( 35.00%)p 1.86( 64.93%)d 0.00( 0.07%) 0.0000 0.5915 -0.0093 -0.0011 -0.8029 -0.0146 0.0578 0.0342 0.0000 0.0000 0.0000 0.0000 0.0000 0.0207 -0.0155 ( 49.94%) 0.7067* C 16 s( 34.72%)p 1.88( 65.21%)d 0.00( 0.07%) 0.0000 0.5892 -0.0085 -0.0001 0.8064 0.0158 0.0155 0.0352 0.0000 0.0000 -0.0036 0.0000 0.0000 0.0206 -0.0162 43. (1.56005) BD ( 2) C 15- C 16 ( 54.59%) 0.7389* C 15 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9997 -0.0090 0.0000 -0.0156 -0.0146 0.0000 0.0000 ( 45.41%) 0.6739* C 16 s( 0.00%)p 1.00( 99.93%)d 0.00( 0.07%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 -0.0089 0.0000 0.0214 -0.0148 0.0000 0.0000 44. (1.98130) BD ( 1) C 15- H 22 ( 63.18%) 0.7949* C 15 s( 29.74%)p 2.36( 70.19%)d 0.00( 0.07%) 0.0000 0.5451 0.0147 0.0014 0.4520 -0.0137 0.7051 -0.0130 0.0000 0.0000 0.0199 0.0000 0.0000 -0.0088 -0.0156 ( 36.82%) 0.6068* H 22 s(100.00%) 1.0000 0.0018 45. (1.98265) BD ( 1) C 16- C 17 ( 49.94%) 0.7067* C 16 s( 34.72%)p 1.88( 65.21%)d 0.00( 0.07%) 0.0000 0.5892 -0.0085 -0.0001 -0.4166 -0.0384 -0.6906 0.0039 0.0000 0.0000 0.0160 0.0000 0.0000 -0.0134 -0.0162 ( 50.06%) 0.7075* C 17 s( 35.00%)p 1.86( 64.93%)d 0.00( 0.07%) 0.0000 0.5915 -0.0093 -0.0011 0.3513 -0.0223 0.7242 0.0297 0.0000 0.0000 0.0179 0.0000 0.0000 -0.0103 -0.0155 46. (1.98394) BD ( 1) C 16- H 21 ( 63.36%) 0.7960* C 16 s( 30.48%)p 2.28( 69.45%)d 0.00( 0.07%) 0.0000 0.5519 0.0132 0.0002 -0.4166 0.0096 0.7215 -0.0166 0.0000 0.0000 -0.0191 0.0000 0.0000 -0.0110 -0.0150 ( 36.64%) 0.6053* H 21 s(100.00%) 1.0000 0.0018 47. (1.97933) BD ( 1) C 17- C 18 ( 49.41%) 0.7029* C 17 s( 35.21%)p 1.84( 64.72%)d 0.00( 0.07%) 0.0000 0.5933 -0.0096 -0.0005 0.4178 -0.0172 -0.6867 -0.0292 0.0000 0.0000 -0.0199 0.0000 0.0000 -0.0058 -0.0161 ( 50.59%) 0.7113* C 18 s( 36.18%)p 1.76( 63.76%)d 0.00( 0.06%) 0.0000 0.6014 -0.0076 -0.0015 -0.3564 -0.0289 0.7140 0.0035 0.0000 0.0000 -0.0147 0.0000 0.0000 -0.0111 -0.0158 48. (1.66481) BD ( 2) C 17- C 18 ( 51.84%) 0.7200* C 17 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9997 -0.0090 0.0000 0.0195 -0.0089 0.0000 0.0000 ( 48.16%) 0.6940* C 18 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9998 -0.0013 0.0000 -0.0035 0.0203 0.0000 0.0000 49. (1.98130) BD ( 1) C 17- H 20 ( 63.18%) 0.7949* C 17 s( 29.74%)p 2.36( 70.19%)d 0.00( 0.07%) 0.0000 0.5451 0.0147 0.0014 -0.8367 0.0181 -0.0389 0.0054 0.0000 0.0000 0.0024 0.0000 0.0000 0.0216 -0.0156 ( 36.82%) 0.6068* H 20 s(100.00%) 1.0000 0.0018 50. (1.96888) BD ( 1) C 18- H 19 ( 61.20%) 0.7823* C 18 s( 28.49%)p 2.51( 71.43%)d 0.00( 0.08%) 0.0000 0.5337 0.0095 0.0034 -0.4853 -0.0005 -0.6917 0.0170 0.0000 0.0000 0.0222 0.0000 0.0000 -0.0033 -0.0159 ( 38.80%) 0.6229* H 19 s(100.00%) 1.0000 -0.0005 51. (1.97819) BD ( 1) C 24- C 25 ( 51.29%) 0.7161* C 24 s( 33.29%)p 2.00( 66.66%)d 0.00( 0.05%) 0.0000 0.5770 -0.0012 -0.0006 -0.8163 -0.0047 -0.0003 0.0120 0.0000 0.0000 0.0037 0.0000 0.0000 0.0171 -0.0140 ( 48.71%) 0.6980* C 25 s( 35.24%)p 1.84( 64.69%)d 0.00( 0.07%) 0.0000 0.5936 -0.0045 -0.0025 0.7976 -0.0021 0.1021 0.0167 0.0000 0.0000 0.0055 0.0000 0.0000 0.0203 -0.0153 52. (1.56399) BD ( 2) C 24- C 25 ( 55.17%) 0.7428* C 24 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9999 0.0035 0.0000 -0.0122 -0.0023 0.0000 0.0000 ( 44.83%) 0.6695* C 25 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9998 0.0052 0.0000 0.0163 -0.0084 0.0000 0.0000 53. (1.97819) BD ( 1) C 24- C 29 ( 51.29%) 0.7161* C 24 s( 33.29%)p 2.00( 66.66%)d 0.00( 0.05%) 0.0000 0.5770 -0.0012 -0.0006 0.4079 0.0127 -0.7071 0.0019 0.0000 0.0000 -0.0129 0.0000 0.0000 -0.0118 -0.0140 ( 48.71%) 0.6980* C 29 s( 35.24%)p 1.84( 64.69%)d 0.00( 0.07%) 0.0000 0.5936 -0.0045 -0.0025 -0.3104 0.0155 0.7418 0.0066 0.0000 0.0000 -0.0148 0.0000 0.0000 -0.0149 -0.0153 54. (1.97933) BD ( 1) C 25- C 26 ( 50.59%) 0.7113* C 25 s( 36.18%)p 1.76( 63.76%)d 0.00( 0.06%) 0.0000 0.6014 -0.0076 -0.0015 -0.3564 -0.0289 -0.7140 -0.0035 0.0000 0.0000 0.0147 0.0000 0.0000 -0.0111 -0.0158 ( 49.41%) 0.7029* C 26 s( 35.21%)p 1.84( 64.72%)d 0.00( 0.07%) 0.0000 0.5933 -0.0096 -0.0005 0.4178 -0.0173 0.6867 0.0292 0.0000 0.0000 0.0199 0.0000 0.0000 -0.0058 -0.0161 55. (1.96888) BD ( 1) C 25- H 34 ( 61.20%) 0.7823* C 25 s( 28.49%)p 2.51( 71.43%)d 0.00( 0.08%) 0.0000 0.5337 0.0095 0.0034 -0.4853 -0.0005 0.6917 -0.0170 0.0000 0.0000 -0.0222 0.0000 0.0000 -0.0033 -0.0159 ( 38.80%) 0.6229* H 34 s(100.00%) 1.0000 -0.0005 56. (1.98265) BD ( 1) C 26- C 27 ( 50.06%) 0.7075* C 26 s( 35.00%)p 1.86( 64.93%)d 0.00( 0.07%) 0.0000 0.5915 -0.0093 -0.0011 0.3513 -0.0223 -0.7242 -0.0297 0.0000 0.0000 -0.0179 0.0000 0.0000 -0.0103 -0.0155 ( 49.94%) 0.7067* C 27 s( 34.72%)p 1.88( 65.21%)d 0.00( 0.07%) 0.0000 0.5892 -0.0085 -0.0001 -0.4166 -0.0384 0.6906 -0.0039 0.0000 0.0000 -0.0160 0.0000 0.0000 -0.0134 -0.0162 57. (1.56005) BD ( 2) C 26- C 27 ( 54.59%) 0.7389* C 26 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9997 -0.0090 0.0000 0.0205 -0.0062 0.0000 0.0000 ( 45.41%) 0.6739* C 27 s( 0.00%)p 1.00( 99.93%)d 0.00( 0.07%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 -0.0089 0.0000 0.0021 0.0259 0.0000 0.0000 58. (1.98130) BD ( 1) C 26- H 33 ( 63.18%) 0.7949* C 26 s( 29.74%)p 2.36( 70.19%)d 0.00( 0.07%) 0.0000 0.5451 0.0147 0.0014 -0.8367 0.0181 0.0389 -0.0054 0.0000 0.0000 -0.0024 0.0000 0.0000 0.0216 -0.0156 ( 36.82%) 0.6068* H 33 s(100.00%) 1.0000 0.0018 59. (1.98265) BD ( 1) C 27- C 28 ( 49.94%) 0.7067* C 27 s( 34.72%)p 1.88( 65.21%)d 0.00( 0.07%) 0.0000 0.5892 -0.0085 -0.0001 0.8064 0.0158 -0.0155 -0.0352 0.0000 0.0000 0.0036 0.0000 0.0000 0.0206 -0.0162 ( 50.06%) 0.7075* C 28 s( 35.00%)p 1.86( 64.93%)d 0.00( 0.07%) 0.0000 0.5915 -0.0093 -0.0011 -0.8029 -0.0146 -0.0578 -0.0342 0.0000 0.0000 0.0000 0.0000 0.0000 0.0207 -0.0155 60. (1.98394) BD ( 1) C 27- H 32 ( 63.36%) 0.7960* C 27 s( 30.48%)p 2.28( 69.45%)d 0.00( 0.07%) 0.0000 0.5519 0.0132 0.0002 -0.4166 0.0096 -0.7215 0.0166 0.0000 0.0000 0.0191 0.0000 0.0000 -0.0110 -0.0150 ( 36.64%) 0.6053* H 32 s(100.00%) 1.0000 0.0018 61. (1.97933) BD ( 1) C 28- C 29 ( 49.41%) 0.7029* C 28 s( 35.21%)p 1.84( 64.72%)d 0.00( 0.07%) 0.0000 0.5933 -0.0096 -0.0005 0.3857 0.0339 0.7052 -0.0003 0.0000 0.0000 0.0150 0.0000 0.0000 -0.0143 -0.0161 ( 50.59%) 0.7113* C 29 s( 36.18%)p 1.76( 63.76%)d 0.00( 0.06%) 0.0000 0.6014 -0.0076 -0.0015 -0.4401 0.0114 -0.6656 -0.0268 0.0000 0.0000 0.0169 0.0000 0.0000 -0.0072 -0.0158 62. (1.66481) BD ( 2) C 28- C 29 ( 51.84%) 0.7200* C 28 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9997 -0.0090 0.0000 -0.0021 0.0213 0.0000 0.0000 ( 48.16%) 0.6940* C 29 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9998 -0.0013 0.0000 -0.0158 -0.0132 0.0000 0.0000 63. (1.98130) BD ( 1) C 28- H 31 ( 63.18%) 0.7949* C 28 s( 29.74%)p 2.36( 70.19%)d 0.00( 0.07%) 0.0000 0.5451 0.0147 0.0014 0.4520 -0.0137 -0.7051 0.0130 0.0000 0.0000 -0.0199 0.0000 0.0000 -0.0088 -0.0156 ( 36.82%) 0.6068* H 31 s(100.00%) 1.0000 0.0018 64. (1.96888) BD ( 1) C 29- H 30 ( 61.20%) 0.7823* C 29 s( 28.49%)p 2.51( 71.43%)d 0.00( 0.08%) 0.0000 0.5337 0.0095 0.0034 0.8417 -0.0145 -0.0744 -0.0090 0.0000 0.0000 -0.0082 0.0000 0.0000 0.0209 -0.0159 ( 38.80%) 0.6229* H 30 s(100.00%) 1.0000 -0.0005 ---------------- non-Lewis ---------------------------------------------------- 65. (0.73519) LV ( 1) C 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9999 0.0141 0.0000 0.0000 0.0000 0.0000 0.0000 66. (0.01970) BD*( 1) C 1- C 2 ( 49.68%) 0.7049* C 1 s( 33.32%)p 2.00( 66.63%)d 0.00( 0.06%) 0.0000 -0.5772 0.0004 0.0000 -0.8162 0.0050 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0200 0.0127 ( 50.32%) -0.7093* C 2 s( 33.36%)p 2.00( 66.58%)d 0.00( 0.06%) 0.0000 -0.5776 -0.0010 -0.0010 0.8158 -0.0167 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0204 0.0137 67. (0.01970) BD*( 1) C 1- C 13 ( 49.68%) 0.7049* C 1 s( 33.32%)p 2.00( 66.63%)d 0.00( 0.06%) 0.0000 -0.5772 0.0004 0.0000 0.4081 -0.0025 -0.7069 0.0043 0.0000 0.0000 0.0173 0.0000 0.0000 0.0100 0.0127 ( 50.32%) -0.7093* C 13 s( 33.36%)p 2.00( 66.58%)d 0.00( 0.06%) 0.0000 -0.5776 -0.0010 -0.0010 -0.4079 0.0084 0.7065 -0.0145 0.0000 0.0000 0.0177 0.0000 0.0000 0.0102 0.0137 68. (0.01970) BD*( 1) C 1- C 24 ( 49.68%) 0.7049* C 1 s( 33.32%)p 2.00( 66.63%)d 0.00( 0.06%) 0.0000 -0.5772 0.0004 0.0000 0.4081 -0.0025 0.7069 -0.0043 0.0000 0.0000 -0.0173 0.0000 0.0000 0.0100 0.0127 ( 50.32%) -0.7093* C 24 s( 33.36%)p 2.00( 66.58%)d 0.00( 0.06%) 0.0000 -0.5776 -0.0010 -0.0010 -0.4079 0.0084 -0.7065 0.0145 0.0000 0.0000 -0.0177 0.0000 0.0000 0.0102 0.0137 69. (0.01975) BD*( 1) C 2- C 3 ( 48.71%) 0.6980* C 2 s( 33.29%)p 2.00( 66.66%)d 0.00( 0.05%) 0.0000 -0.5770 0.0012 0.0006 -0.4084 0.0080 -0.7068 -0.0100 0.0000 0.0000 -0.0167 0.0000 0.0000 0.0053 0.0140 ( 51.29%) -0.7161* C 3 s( 35.24%)p 1.84( 64.69%)d 0.00( 0.07%) 0.0000 -0.5936 0.0045 0.0025 0.4872 0.0135 0.6398 -0.0102 0.0000 0.0000 -0.0203 0.0000 0.0000 0.0054 0.0153 70. (0.01975) BD*( 1) C 2- C 7 ( 48.71%) 0.6980* C 2 s( 33.29%)p 2.00( 66.66%)d 0.00( 0.05%) 0.0000 -0.5770 0.0012 0.0006 -0.4084 0.0080 0.7068 0.0100 0.0000 0.0000 0.0167 0.0000 0.0000 0.0053 0.0140 ( 51.29%) -0.7161* C 7 s( 35.24%)p 1.84( 64.69%)d 0.00( 0.07%) 0.0000 -0.5936 0.0045 0.0025 0.4872 0.0135 -0.6398 0.0102 0.0000 0.0000 0.0203 0.0000 0.0000 0.0054 0.0153 71. (0.41786) BD*( 2) C 2- C 7 ( 44.83%) 0.6695* C 2 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.9999 -0.0035 0.0000 -0.0081 0.0094 0.0000 0.0000 ( 55.17%) -0.7428* C 7 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.9998 -0.0052 0.0000 0.0008 -0.0183 0.0000 0.0000 72. (0.01291) BD*( 1) C 3- C 4 ( 49.41%) 0.7029* C 3 s( 36.18%)p 1.76( 63.76%)d 0.00( 0.06%) 0.0000 0.6014 -0.0076 -0.0015 0.7965 0.0175 -0.0483 0.0233 0.0000 0.0000 -0.0022 0.0000 0.0000 0.0183 -0.0158 ( 50.59%) -0.7113* C 4 s( 35.21%)p 1.84( 64.72%)d 0.00( 0.07%) 0.0000 0.5933 -0.0096 -0.0005 -0.8036 -0.0167 -0.0185 0.0295 0.0000 0.0000 0.0049 0.0000 0.0000 0.0201 -0.0161 73. (0.25069) BD*( 2) C 3- C 4 ( 51.84%) 0.7200* C 3 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9998 -0.0013 0.0000 0.0193 -0.0071 0.0000 0.0000 ( 48.16%) -0.6940* C 4 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9997 -0.0090 0.0000 -0.0174 -0.0124 0.0000 0.0000 74. (0.02288) BD*( 1) C 3- H 12 ( 38.80%) 0.6229* C 3 s( 28.49%)p 2.51( 71.43%)d 0.00( 0.08%) 0.0000 -0.5337 -0.0095 -0.0034 0.3564 -0.0150 -0.7662 0.0081 0.0000 0.0000 0.0140 0.0000 0.0000 0.0175 0.0159 ( 61.20%) -0.7823* H 12 s(100.00%) -1.0000 0.0005 75. (0.01550) BD*( 1) C 4- C 5 ( 49.94%) 0.7067* C 4 s( 35.00%)p 1.86( 64.93%)d 0.00( 0.07%) 0.0000 0.5915 -0.0093 -0.0011 0.4515 0.0369 -0.6664 0.0045 0.0000 0.0000 -0.0179 0.0000 0.0000 -0.0104 -0.0155 ( 50.06%) -0.7075* C 5 s( 34.72%)p 1.88( 65.21%)d 0.00( 0.07%) 0.0000 0.5892 -0.0085 -0.0001 -0.3898 0.0226 0.7061 0.0313 0.0000 0.0000 -0.0196 0.0000 0.0000 -0.0072 -0.0162 76. (0.01184) BD*( 1) C 4- H 11 ( 36.82%) 0.6068* C 4 s( 29.74%)p 2.36( 70.19%)d 0.00( 0.07%) 0.0000 -0.5451 -0.0147 -0.0014 -0.3846 0.0044 -0.7440 0.0183 0.0000 0.0000 -0.0175 0.0000 0.0000 0.0129 0.0156 ( 63.18%) -0.7949* H 11 s(100.00%) -1.0000 -0.0018 77. (0.01550) BD*( 1) C 5- C 6 ( 50.06%) 0.7075* C 5 s( 34.72%)p 1.88( 65.21%)d 0.00( 0.07%) 0.0000 -0.5892 0.0085 0.0001 0.3898 -0.0226 0.7061 0.0313 0.0000 0.0000 -0.0196 0.0000 0.0000 0.0072 0.0162 ( 49.94%) -0.7067* C 6 s( 35.00%)p 1.86( 64.93%)d 0.00( 0.07%) 0.0000 -0.5915 0.0093 0.0011 -0.4515 -0.0369 -0.6664 0.0045 0.0000 0.0000 -0.0179 0.0000 0.0000 0.0104 0.0155 78. (0.29091) BD*( 2) C 5- C 6 ( 54.59%) 0.7389* C 5 s( 0.00%)p 1.00( 99.93%)d 0.00( 0.07%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 -0.0089 0.0000 -0.0235 -0.0111 0.0000 0.0000 ( 45.41%) -0.6739* C 6 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9997 -0.0090 0.0000 -0.0049 0.0208 0.0000 0.0000 79. (0.01206) BD*( 1) C 5- H 10 ( 36.64%) 0.6053* C 5 s( 30.48%)p 2.28( 69.45%)d 0.00( 0.07%) 0.0000 -0.5519 -0.0132 -0.0002 -0.8331 0.0191 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0221 0.0150 ( 63.36%) -0.7960* H 10 s(100.00%) -1.0000 -0.0018 80. (0.01291) BD*( 1) C 6- C 7 ( 50.59%) 0.7113* C 6 s( 35.21%)p 1.84( 64.72%)d 0.00( 0.07%) 0.0000 -0.5933 0.0096 0.0005 0.8036 0.0167 -0.0185 0.0295 0.0000 0.0000 0.0049 0.0000 0.0000 -0.0201 0.0161 ( 49.41%) -0.7029* C 7 s( 36.18%)p 1.76( 63.76%)d 0.00( 0.06%) 0.0000 -0.6014 0.0076 0.0015 -0.7965 -0.0175 -0.0483 0.0233 0.0000 0.0000 -0.0022 0.0000 0.0000 -0.0183 0.0158 81. (0.01184) BD*( 1) C 6- H 9 ( 36.82%) 0.6068* C 6 s( 29.74%)p 2.36( 70.19%)d 0.00( 0.07%) 0.0000 -0.5451 -0.0147 -0.0014 -0.3846 0.0044 0.7440 -0.0183 0.0000 0.0000 0.0175 0.0000 0.0000 0.0129 0.0156 ( 63.18%) -0.7949* H 9 s(100.00%) -1.0000 -0.0018 82. (0.02288) BD*( 1) C 7- H 8 ( 38.80%) 0.6229* C 7 s( 28.49%)p 2.51( 71.43%)d 0.00( 0.08%) 0.0000 -0.5337 -0.0095 -0.0034 0.3564 -0.0150 0.7662 -0.0081 0.0000 0.0000 -0.0140 0.0000 0.0000 0.0175 0.0159 ( 61.20%) -0.7823* H 8 s(100.00%) -1.0000 0.0005 83. (0.01975) BD*( 1) C 13- C 14 ( 48.71%) 0.6980* C 13 s( 33.29%)p 2.00( 66.66%)d 0.00( 0.05%) 0.0000 -0.5770 0.0012 0.0006 -0.4079 -0.0127 -0.7071 0.0019 0.0000 0.0000 -0.0129 0.0000 0.0000 0.0118 0.0140 ( 51.29%) -0.7161* C 14 s( 35.24%)p 1.84( 64.69%)d 0.00( 0.07%) 0.0000 -0.5936 0.0045 0.0025 0.3104 -0.0155 0.7418 0.0066 0.0000 0.0000 -0.0148 0.0000 0.0000 0.0149 0.0153 84. (0.41786) BD*( 2) C 13- C 14 ( 44.83%) 0.6695* C 13 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.9999 -0.0035 0.0000 -0.0040 -0.0117 0.0000 0.0000 ( 55.17%) -0.7428* C 14 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.9998 -0.0052 0.0000 0.0154 0.0099 0.0000 0.0000 85. (0.01975) BD*( 1) C 13- C 18 ( 48.71%) 0.6980* C 13 s( 33.29%)p 2.00( 66.66%)d 0.00( 0.05%) 0.0000 -0.5770 0.0012 0.0006 0.8163 0.0047 -0.0003 0.0120 0.0000 0.0000 0.0037 0.0000 0.0000 -0.0171 0.0140 ( 51.29%) -0.7161* C 18 s( 35.24%)p 1.84( 64.69%)d 0.00( 0.07%) 0.0000 -0.5936 0.0045 0.0025 -0.7976 0.0021 0.1021 0.0167 0.0000 0.0000 0.0055 0.0000 0.0000 -0.0203 0.0153 86. (0.01291) BD*( 1) C 14- C 15 ( 49.41%) 0.7029* C 14 s( 36.18%)p 1.76( 63.76%)d 0.00( 0.06%) 0.0000 0.6014 -0.0076 -0.0015 -0.4401 0.0114 0.6656 0.0268 0.0000 0.0000 -0.0169 0.0000 0.0000 -0.0072 -0.0158 ( 50.59%) -0.7113* C 15 s( 35.21%)p 1.84( 64.72%)d 0.00( 0.07%) 0.0000 0.5933 -0.0096 -0.0005 0.3857 0.0339 -0.7052 0.0003 0.0000 0.0000 -0.0150 0.0000 0.0000 -0.0143 -0.0161 87. (0.02288) BD*( 1) C 14- H 23 ( 38.80%) 0.6229* C 14 s( 28.49%)p 2.51( 71.43%)d 0.00( 0.08%) 0.0000 -0.5337 -0.0095 -0.0034 -0.8417 0.0145 -0.0744 -0.0090 0.0000 0.0000 -0.0082 0.0000 0.0000 -0.0209 0.0159 ( 61.20%) -0.7823* H 23 s(100.00%) -1.0000 0.0005 88. (0.01550) BD*( 1) C 15- C 16 ( 49.94%) 0.7067* C 15 s( 35.00%)p 1.86( 64.93%)d 0.00( 0.07%) 0.0000 0.5915 -0.0093 -0.0011 -0.8029 -0.0146 0.0578 0.0342 0.0000 0.0000 0.0000 0.0000 0.0000 0.0207 -0.0155 ( 50.06%) -0.7075* C 16 s( 34.72%)p 1.88( 65.21%)d 0.00( 0.07%) 0.0000 0.5892 -0.0085 -0.0001 0.8064 0.0158 0.0155 0.0352 0.0000 0.0000 -0.0036 0.0000 0.0000 0.0206 -0.0162 89. (0.29091) BD*( 2) C 15- C 16 ( 45.41%) 0.6739* C 15 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.9997 0.0090 0.0000 0.0156 0.0146 0.0000 0.0000 ( 54.59%) -0.7389* C 16 s( 0.00%)p 1.00( 99.93%)d 0.00( 0.07%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.9996 0.0089 0.0000 -0.0214 0.0148 0.0000 0.0000 90. (0.01184) BD*( 1) C 15- H 22 ( 36.82%) 0.6068* C 15 s( 29.74%)p 2.36( 70.19%)d 0.00( 0.07%) 0.0000 -0.5451 -0.0147 -0.0014 -0.4520 0.0137 -0.7051 0.0130 0.0000 0.0000 -0.0199 0.0000 0.0000 0.0088 0.0156 ( 63.18%) -0.7949* H 22 s(100.00%) -1.0000 -0.0018 91. (0.01550) BD*( 1) C 16- C 17 ( 50.06%) 0.7075* C 16 s( 34.72%)p 1.88( 65.21%)d 0.00( 0.07%) 0.0000 -0.5892 0.0085 0.0001 0.4166 0.0384 0.6906 -0.0039 0.0000 0.0000 -0.0160 0.0000 0.0000 0.0134 0.0162 ( 49.94%) -0.7067* C 17 s( 35.00%)p 1.86( 64.93%)d 0.00( 0.07%) 0.0000 -0.5915 0.0093 0.0011 -0.3513 0.0223 -0.7242 -0.0297 0.0000 0.0000 -0.0179 0.0000 0.0000 0.0103 0.0155 92. (0.01206) BD*( 1) C 16- H 21 ( 36.64%) 0.6053* C 16 s( 30.48%)p 2.28( 69.45%)d 0.00( 0.07%) 0.0000 -0.5519 -0.0132 -0.0002 0.4166 -0.0096 -0.7215 0.0166 0.0000 0.0000 0.0191 0.0000 0.0000 0.0110 0.0150 ( 63.36%) -0.7960* H 21 s(100.00%) -1.0000 -0.0018 93. (0.01291) BD*( 1) C 17- C 18 ( 50.59%) 0.7113* C 17 s( 35.21%)p 1.84( 64.72%)d 0.00( 0.07%) 0.0000 -0.5933 0.0096 0.0005 -0.4178 0.0172 0.6867 0.0292 0.0000 0.0000 0.0199 0.0000 0.0000 0.0058 0.0161 ( 49.41%) -0.7029* C 18 s( 36.18%)p 1.76( 63.76%)d 0.00( 0.06%) 0.0000 -0.6014 0.0076 0.0015 0.3564 0.0289 -0.7140 -0.0035 0.0000 0.0000 0.0147 0.0000 0.0000 0.0111 0.0158 94. (0.25069) BD*( 2) C 17- C 18 ( 48.16%) 0.6940* C 17 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.9997 0.0090 0.0000 -0.0195 0.0089 0.0000 0.0000 ( 51.84%) -0.7200* C 18 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.9998 0.0013 0.0000 0.0035 -0.0203 0.0000 0.0000 95. (0.01184) BD*( 1) C 17- H 20 ( 36.82%) 0.6068* C 17 s( 29.74%)p 2.36( 70.19%)d 0.00( 0.07%) 0.0000 -0.5451 -0.0147 -0.0014 0.8367 -0.0181 0.0389 -0.0054 0.0000 0.0000 -0.0024 0.0000 0.0000 -0.0216 0.0156 ( 63.18%) -0.7949* H 20 s(100.00%) -1.0000 -0.0018 96. (0.02288) BD*( 1) C 18- H 19 ( 38.80%) 0.6229* C 18 s( 28.49%)p 2.51( 71.43%)d 0.00( 0.08%) 0.0000 -0.5337 -0.0095 -0.0034 0.4853 0.0005 0.6917 -0.0170 0.0000 0.0000 -0.0222 0.0000 0.0000 0.0033 0.0159 ( 61.20%) -0.7823* H 19 s(100.00%) -1.0000 0.0005 97. (0.01975) BD*( 1) C 24- C 25 ( 48.71%) 0.6980* C 24 s( 33.29%)p 2.00( 66.66%)d 0.00( 0.05%) 0.0000 -0.5770 0.0012 0.0006 0.8163 0.0047 0.0003 -0.0120 0.0000 0.0000 -0.0037 0.0000 0.0000 -0.0171 0.0140 ( 51.29%) -0.7161* C 25 s( 35.24%)p 1.84( 64.69%)d 0.00( 0.07%) 0.0000 -0.5936 0.0045 0.0025 -0.7976 0.0021 -0.1021 -0.0167 0.0000 0.0000 -0.0055 0.0000 0.0000 -0.0203 0.0153 98. (0.41786) BD*( 2) C 24- C 25 ( 44.83%) 0.6695* C 24 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.9999 -0.0035 0.0000 0.0122 0.0023 0.0000 0.0000 ( 55.17%) -0.7428* C 25 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.9998 -0.0052 0.0000 -0.0163 0.0084 0.0000 0.0000 99. (0.01975) BD*( 1) C 24- C 29 ( 48.71%) 0.6980* C 24 s( 33.29%)p 2.00( 66.66%)d 0.00( 0.05%) 0.0000 -0.5770 0.0012 0.0006 -0.4079 -0.0127 0.7071 -0.0019 0.0000 0.0000 0.0129 0.0000 0.0000 0.0118 0.0140 ( 51.29%) -0.7161* C 29 s( 35.24%)p 1.84( 64.69%)d 0.00( 0.07%) 0.0000 -0.5936 0.0045 0.0025 0.3104 -0.0155 -0.7418 -0.0066 0.0000 0.0000 0.0148 0.0000 0.0000 0.0149 0.0153 100. (0.01291) BD*( 1) C 25- C 26 ( 49.41%) 0.7029* C 25 s( 36.18%)p 1.76( 63.76%)d 0.00( 0.06%) 0.0000 0.6014 -0.0076 -0.0015 -0.3564 -0.0289 -0.7140 -0.0035 0.0000 0.0000 0.0147 0.0000 0.0000 -0.0111 -0.0158 ( 50.59%) -0.7113* C 26 s( 35.21%)p 1.84( 64.72%)d 0.00( 0.07%) 0.0000 0.5933 -0.0096 -0.0005 0.4178 -0.0173 0.6867 0.0292 0.0000 0.0000 0.0199 0.0000 0.0000 -0.0058 -0.0161 101. (0.02288) BD*( 1) C 25- H 34 ( 38.80%) 0.6229* C 25 s( 28.49%)p 2.51( 71.43%)d 0.00( 0.08%) 0.0000 -0.5337 -0.0095 -0.0034 0.4853 0.0005 -0.6917 0.0170 0.0000 0.0000 0.0222 0.0000 0.0000 0.0033 0.0159 ( 61.20%) -0.7823* H 34 s(100.00%) -1.0000 0.0005 102. (0.01550) BD*( 1) C 26- C 27 ( 49.94%) 0.7067* C 26 s( 35.00%)p 1.86( 64.93%)d 0.00( 0.07%) 0.0000 0.5915 -0.0093 -0.0011 0.3513 -0.0223 -0.7242 -0.0297 0.0000 0.0000 -0.0179 0.0000 0.0000 -0.0103 -0.0155 ( 50.06%) -0.7075* C 27 s( 34.72%)p 1.88( 65.21%)d 0.00( 0.07%) 0.0000 0.5892 -0.0085 -0.0001 -0.4166 -0.0384 0.6906 -0.0039 0.0000 0.0000 -0.0160 0.0000 0.0000 -0.0134 -0.0162 103. (0.29091) BD*( 2) C 26- C 27 ( 45.41%) 0.6739* C 26 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.9997 0.0090 0.0000 -0.0205 0.0062 0.0000 0.0000 ( 54.59%) -0.7389* C 27 s( 0.00%)p 1.00( 99.93%)d 0.00( 0.07%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.9996 0.0089 0.0000 -0.0021 -0.0259 0.0000 0.0000 104. (0.01184) BD*( 1) C 26- H 33 ( 36.82%) 0.6068* C 26 s( 29.74%)p 2.36( 70.19%)d 0.00( 0.07%) 0.0000 -0.5451 -0.0147 -0.0014 0.8367 -0.0181 -0.0389 0.0054 0.0000 0.0000 0.0024 0.0000 0.0000 -0.0216 0.0156 ( 63.18%) -0.7949* H 33 s(100.00%) -1.0000 -0.0018 105. (0.01550) BD*( 1) C 27- C 28 ( 50.06%) 0.7075* C 27 s( 34.72%)p 1.88( 65.21%)d 0.00( 0.07%) 0.0000 -0.5892 0.0085 0.0001 -0.8064 -0.0158 0.0155 0.0352 0.0000 0.0000 -0.0036 0.0000 0.0000 -0.0206 0.0162 ( 49.94%) -0.7067* C 28 s( 35.00%)p 1.86( 64.93%)d 0.00( 0.07%) 0.0000 -0.5915 0.0093 0.0011 0.8029 0.0146 0.0578 0.0342 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0207 0.0155 106. (0.01206) BD*( 1) C 27- H 32 ( 36.64%) 0.6053* C 27 s( 30.48%)p 2.28( 69.45%)d 0.00( 0.07%) 0.0000 -0.5519 -0.0132 -0.0002 0.4166 -0.0096 0.7215 -0.0166 0.0000 0.0000 -0.0191 0.0000 0.0000 0.0110 0.0150 ( 63.36%) -0.7960* H 32 s(100.00%) -1.0000 -0.0018 107. (0.01291) BD*( 1) C 28- C 29 ( 50.59%) 0.7113* C 28 s( 35.21%)p 1.84( 64.72%)d 0.00( 0.07%) 0.0000 -0.5933 0.0096 0.0005 -0.3857 -0.0339 -0.7052 0.0003 0.0000 0.0000 -0.0150 0.0000 0.0000 0.0143 0.0161 ( 49.41%) -0.7029* C 29 s( 36.18%)p 1.76( 63.76%)d 0.00( 0.06%) 0.0000 -0.6014 0.0076 0.0015 0.4401 -0.0114 0.6656 0.0268 0.0000 0.0000 -0.0169 0.0000 0.0000 0.0072 0.0158 108. (0.25069) BD*( 2) C 28- C 29 ( 48.16%) 0.6940* C 28 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.9997 0.0090 0.0000 0.0021 -0.0213 0.0000 0.0000 ( 51.84%) -0.7200* C 29 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.9998 0.0013 0.0000 0.0158 0.0132 0.0000 0.0000 109. (0.01184) BD*( 1) C 28- H 31 ( 36.82%) 0.6068* C 28 s( 29.74%)p 2.36( 70.19%)d 0.00( 0.07%) 0.0000 -0.5451 -0.0147 -0.0014 -0.4520 0.0137 0.7051 -0.0130 0.0000 0.0000 0.0199 0.0000 0.0000 0.0088 0.0156 ( 63.18%) -0.7949* H 31 s(100.00%) -1.0000 -0.0018 110. (0.02288) BD*( 1) C 29- H 30 ( 38.80%) 0.6229* C 29 s( 28.49%)p 2.51( 71.43%)d 0.00( 0.08%) 0.0000 -0.5337 -0.0095 -0.0034 -0.8417 0.0145 0.0744 0.0090 0.0000 0.0000 0.0082 0.0000 0.0000 -0.0209 0.0159 ( 61.20%) -0.7823* H 30 s(100.00%) -1.0000 0.0005 111. (0.00432) RY ( 1) C 1 s( 0.00%)p 1.00( 94.00%)d 0.06( 6.00%) 0.0000 0.0000 0.0000 0.0000 0.0034 0.2751 0.0115 0.9296 0.0000 0.0000 0.2348 0.0000 0.0000 -0.0695 0.0000 112. (0.00432) RY ( 2) C 1 s( 0.00%)p 1.00( 94.00%)d 0.06( 6.00%) 0.0000 0.0000 0.0000 0.0000 0.0115 0.9296 -0.0034 -0.2751 0.0000 0.0000 -0.0695 0.0000 0.0000 -0.2348 0.0000 113. (0.00059) RY ( 3) C 1 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 114. (0.00059) RY ( 4) C 1 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 115. (0.00016) RY ( 5) C 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0141 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 116. (0.00009) RY ( 6) C 1 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 117. (0.00003) RY ( 7) C 1 s( 0.00%)p 1.00( 6.06%)d15.51( 93.94%) 118. (0.00003) RY ( 8) C 1 s( 0.00%)p 1.00( 6.06%)d15.51( 93.94%) 119. (0.00002) RY ( 9) C 1 s( 61.29%)p 0.00( 0.00%)d 0.63( 38.71%) 120. (0.00000) RY (10) C 1 s( 38.76%)p 0.00( 0.00%)d 1.58( 61.24%) 121. (0.00543) RY ( 1) C 2 s( 0.00%)p 1.00( 96.77%)d 0.03( 3.23%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0097 0.9837 0.0000 0.0000 -0.1797 0.0000 0.0000 0.0000 0.0000 122. (0.00403) RY ( 2) C 2 s( 0.95%)p93.49( 88.77%)d10.83( 10.28%) 0.0000 0.0025 0.0972 0.0068 -0.0256 -0.9418 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.3205 0.0084 123. (0.00061) RY ( 3) C 2 s( 0.00%)p 1.00( 0.52%)d99.99( 99.48%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0102 -0.0716 0.0000 -0.0751 0.9945 0.0000 0.0000 124. (0.00038) RY ( 4) C 2 s( 0.00%)p 1.00( 97.79%)d 0.02( 2.21%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0017 0.9889 0.0000 -0.1355 0.0610 0.0000 0.0000 125. (0.00028) RY ( 5) C 2 s( 0.00%)p 1.00( 1.70%)d57.84( 98.30%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0077 0.1301 0.0000 0.9879 0.0841 0.0000 0.0000 126. (0.00018) RY ( 6) C 2 s( 98.88%)p 0.01( 0.61%)d 0.01( 0.51%) 0.0000 0.0003 0.9938 -0.0345 0.0049 0.0778 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0716 -0.0029 127. (0.00005) RY ( 7) C 2 s( 94.40%)p 0.00( 0.24%)d 0.06( 5.36%) 128. (0.00005) RY ( 8) C 2 s( 0.00%)p 1.00( 3.28%)d29.44( 96.72%) 129. (0.00003) RY ( 9) C 2 s( 3.61%)p 2.88( 10.39%)d23.84( 86.00%) 130. (0.00000) RY (10) C 2 s( 2.22%)p 0.02( 0.04%)d43.95( 97.74%) 131. (0.00448) RY ( 1) C 3 s( 0.57%)p99.99( 92.44%)d12.15( 6.98%) 0.0000 -0.0081 0.0751 -0.0066 -0.0092 -0.4395 0.0263 0.8547 0.0000 0.0000 0.2108 0.0000 0.0000 0.1554 0.0350 132. (0.00175) RY ( 2) C 3 s( 0.09%)p99.99( 97.06%)d32.13( 2.85%) 0.0000 0.0170 0.0078 0.0232 0.0170 -0.8766 0.0094 -0.4493 0.0000 0.0000 -0.1057 0.0000 0.0000 0.1317 0.0051 133. (0.00073) RY ( 3) C 3 s( 0.00%)p 1.00( 16.15%)d 5.19( 83.85%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0118 -0.4017 0.0000 0.7669 0.5004 0.0000 0.0000 134. (0.00035) RY ( 4) C 3 s( 0.00%)p 1.00( 70.04%)d 0.43( 29.96%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0101 0.8369 0.0000 0.5292 -0.1396 0.0000 0.0000 135. (0.00031) RY ( 5) C 3 s( 92.70%)p 0.02( 1.41%)d 0.06( 5.89%) 0.0000 0.0056 0.9311 -0.2450 0.0015 0.0797 -0.0088 -0.0874 0.0000 0.0000 0.0037 0.0000 0.0000 0.2194 0.1036 136. (0.00012) RY ( 6) C 3 s( 5.24%)p 0.58( 3.03%)d17.52( 91.73%) 0.0000 -0.0002 0.1789 0.1427 0.0247 -0.1055 0.0082 -0.1361 0.0000 0.0000 0.7316 0.0000 0.0000 -0.6177 -0.0210 137. (0.00004) RY ( 7) C 3 s( 56.08%)p 0.05( 2.60%)d 0.74( 41.32%) 138. (0.00002) RY ( 8) C 3 s( 42.78%)p 0.08( 3.45%)d 1.26( 53.77%) 139. (0.00001) RY ( 9) C 3 s( 0.00%)p 1.00( 13.85%)d 6.22( 86.15%) 140. (0.00000) RY (10) C 3 s( 2.63%)p 0.04( 0.12%)d36.91( 97.25%) 141. (0.00514) RY ( 1) C 4 s( 0.03%)p99.99( 93.15%)d99.99( 6.82%) 0.0000 0.0119 0.0139 0.0004 -0.0158 -0.4137 -0.0327 -0.8712 0.0000 0.0000 0.2234 0.0000 0.0000 -0.1342 -0.0160 142. (0.00243) RY ( 2) C 4 s( 3.62%)p26.21( 94.92%)d 0.40( 1.46%) 0.0000 -0.0028 0.1889 -0.0232 -0.0358 0.8762 0.0134 -0.4244 0.0000 0.0000 0.0266 0.0000 0.0000 0.1158 0.0209 143. (0.00048) RY ( 3) C 4 s( 0.00%)p 1.00( 0.52%)d99.99( 99.48%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0077 0.0717 0.0000 0.8158 -0.5738 0.0000 0.0000 144. (0.00035) RY ( 4) C 4 s( 0.00%)p 1.00( 89.04%)d 0.12( 10.96%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0015 0.9436 0.0000 -0.2419 -0.2261 0.0000 0.0000 145. (0.00023) RY ( 5) C 4 s( 78.80%)p 0.06( 4.80%)d 0.21( 16.40%) 0.0000 0.0057 0.8645 -0.2017 0.0095 -0.1788 -0.0233 0.1240 0.0000 0.0000 0.2725 0.0000 0.0000 0.2820 0.1009 146. (0.00014) RY ( 6) C 4 s( 18.15%)p 0.01( 0.13%)d 4.50( 81.73%) 0.0000 0.0005 0.4243 0.0383 -0.0267 0.0137 0.0033 -0.0186 0.0000 0.0000 -0.5211 0.0000 0.0000 -0.7377 -0.0392 147. (0.00005) RY ( 7) C 4 s( 93.95%)p 0.00( 0.26%)d 0.06( 5.79%) 148. (0.00001) RY ( 8) C 4 s( 1.78%)p 3.66( 6.52%)d51.47( 91.70%) 149. (0.00000) RY ( 9) C 4 s( 0.00%)p 1.00( 10.49%)d 8.53( 89.51%) 150. (0.00000) RY (10) C 4 s( 3.71%)p 0.10( 0.38%)d25.82( 95.90%) 151. (0.00444) RY ( 1) C 5 s( 0.18%)p99.99( 90.78%)d51.44( 9.04%) 0.0000 -0.0134 0.0367 -0.0152 0.0386 0.9520 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.2996 0.0250 152. (0.00235) RY ( 2) C 5 s( 0.00%)p 1.00( 99.05%)d 0.01( 0.95%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0414 0.9944 0.0000 0.0000 0.0977 0.0000 0.0000 0.0000 0.0000 153. (0.00063) RY ( 3) C 5 s( 0.00%)p 1.00( 0.49%)d99.99( 99.51%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0110 -0.0695 0.0000 0.0237 0.9972 0.0000 0.0000 154. (0.00030) RY ( 4) C 5 s( 0.00%)p 1.00( 88.91%)d 0.12( 11.09%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0015 0.9429 0.0000 -0.3248 0.0734 0.0000 0.0000 155. (0.00011) RY ( 5) C 5 s( 0.00%)p 1.00( 1.03%)d95.97( 98.97%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0319 -0.0964 0.0000 0.0000 0.9948 0.0000 0.0000 0.0000 0.0000 156. (0.00007) RY ( 6) C 5 s( 99.48%)p 0.00( 0.19%)d 0.00( 0.32%) 157. (0.00004) RY ( 7) C 5 s( 96.91%)p 0.00( 0.03%)d 0.03( 3.07%) 158. (0.00000) RY ( 8) C 5 s( 0.10%)p88.60( 9.02%)d99.99( 90.88%) 159. (0.00000) RY ( 9) C 5 s( 0.00%)p 1.00( 10.66%)d 8.38( 89.34%) 160. (0.00000) RY (10) C 5 s( 3.40%)p 0.01( 0.04%)d28.36( 96.56%) 161. (0.00514) RY ( 1) C 6 s( 0.03%)p99.99( 93.15%)d99.99( 6.82%) 0.0000 0.0119 0.0139 0.0004 -0.0158 -0.4137 0.0327 0.8712 0.0000 0.0000 -0.2234 0.0000 0.0000 -0.1342 -0.0160 162. (0.00243) RY ( 2) C 6 s( 3.62%)p26.21( 94.92%)d 0.40( 1.46%) 0.0000 -0.0028 0.1889 -0.0232 -0.0358 0.8762 -0.0134 0.4244 0.0000 0.0000 -0.0266 0.0000 0.0000 0.1158 0.0209 163. (0.00050) RY ( 3) C 6 s( 0.00%)p 1.00( 7.38%)d12.55( 92.62%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0066 0.2716 0.0000 0.7455 0.6087 0.0000 0.0000 164. (0.00034) RY ( 4) C 6 s( 0.00%)p 1.00( 82.16%)d 0.22( 17.84%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0041 0.9064 0.0000 -0.4107 0.0986 0.0000 0.0000 165. (0.00023) RY ( 5) C 6 s( 78.80%)p 0.06( 4.80%)d 0.21( 16.40%) 0.0000 0.0057 0.8645 -0.2017 0.0095 -0.1788 0.0233 -0.1240 0.0000 0.0000 -0.2726 0.0000 0.0000 0.2820 0.1009 166. (0.00014) RY ( 6) C 6 s( 18.15%)p 0.01( 0.13%)d 4.50( 81.72%) 0.0000 0.0005 0.4243 0.0383 -0.0267 0.0137 -0.0033 0.0186 0.0000 0.0000 0.5211 0.0000 0.0000 -0.7377 -0.0392 167. (0.00005) RY ( 7) C 6 s( 93.95%)p 0.00( 0.26%)d 0.06( 5.79%) 168. (0.00001) RY ( 8) C 6 s( 1.78%)p 3.66( 6.52%)d51.47( 91.70%) 169. (0.00000) RY ( 9) C 6 s( 0.00%)p 1.00( 10.51%)d 8.52( 89.49%) 170. (0.00000) RY (10) C 6 s( 3.71%)p 0.10( 0.38%)d25.82( 95.90%) 171. (0.00448) RY ( 1) C 7 s( 0.57%)p99.99( 92.44%)d12.15( 6.98%) 0.0000 -0.0081 0.0751 -0.0066 -0.0092 -0.4395 -0.0263 -0.8547 0.0000 0.0000 -0.2108 0.0000 0.0000 0.1554 0.0350 172. (0.00175) RY ( 2) C 7 s( 0.09%)p99.99( 97.06%)d32.13( 2.85%) 0.0000 0.0170 0.0078 0.0232 0.0170 -0.8766 -0.0094 0.4493 0.0000 0.0000 0.1057 0.0000 0.0000 0.1317 0.0051 173. (0.00088) RY ( 3) C 7 s( 0.00%)p 1.00( 21.35%)d 3.68( 78.65%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0123 -0.4619 0.0000 0.7277 -0.5069 0.0000 0.0000 174. (0.00033) RY ( 4) C 7 s( 0.00%)p 1.00( 64.90%)d 0.54( 35.10%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0056 0.8056 0.0000 0.5834 0.1034 0.0000 0.0000 175. (0.00031) RY ( 5) C 7 s( 92.70%)p 0.02( 1.41%)d 0.06( 5.89%) 0.0000 0.0056 0.9311 -0.2450 0.0015 0.0797 0.0088 0.0874 0.0000 0.0000 -0.0036 0.0000 0.0000 0.2194 0.1036 176. (0.00012) RY ( 6) C 7 s( 5.24%)p 0.58( 3.03%)d17.52( 91.73%) 0.0000 -0.0002 0.1789 0.1427 0.0247 -0.1055 -0.0082 0.1361 0.0000 0.0000 -0.7316 0.0000 0.0000 -0.6177 -0.0210 177. (0.00004) RY ( 7) C 7 s( 56.08%)p 0.05( 2.60%)d 0.74( 41.32%) 178. (0.00002) RY ( 8) C 7 s( 42.78%)p 0.08( 3.45%)d 1.26( 53.78%) 179. (0.00001) RY ( 9) C 7 s( 0.00%)p 1.00( 13.79%)d 6.25( 86.21%) 180. (0.00000) RY (10) C 7 s( 2.63%)p 0.04( 0.12%)d36.91( 97.25%) 181. (0.00179) RY ( 1) H 8 s(100.00%) 0.0005 1.0000 182. (0.00073) RY ( 1) H 9 s(100.00%) -0.0018 1.0000 183. (0.00064) RY ( 1) H 10 s(100.00%) -0.0018 1.0000 184. (0.00073) RY ( 1) H 11 s(100.00%) -0.0018 1.0000 185. (0.00179) RY ( 1) H 12 s(100.00%) 0.0005 1.0000 186. (0.00543) RY ( 1) C 13 s( 0.00%)p 1.00( 96.77%)d 0.03( 3.23%) 0.0000 0.0000 0.0000 0.0000 -0.0084 0.8519 -0.0049 0.4918 0.0000 0.0000 -0.0898 0.0000 0.0000 0.1556 0.0000 187. (0.00403) RY ( 2) C 13 s( 0.95%)p93.49( 88.77%)d10.83( 10.28%) 0.0000 0.0025 0.0972 0.0068 0.0128 0.4709 -0.0222 -0.8157 0.0000 0.0000 0.2776 0.0000 0.0000 0.1603 0.0084 188. (0.00061) RY ( 3) C 13 s( 0.00%)p 1.00( 0.52%)d99.99( 99.48%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0102 0.0716 0.0000 0.8237 0.5623 0.0000 0.0000 189. (0.00038) RY ( 4) C 13 s( 0.00%)p 1.00( 97.79%)d 0.02( 2.21%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0017 0.9889 0.0000 0.0149 -0.1478 0.0000 0.0000 190. (0.00028) RY ( 5) C 13 s( 0.00%)p 1.00( 1.70%)d57.84( 98.30%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0077 0.1301 0.0000 -0.5667 0.8135 0.0000 0.0000 191. (0.00018) RY ( 6) C 13 s( 98.88%)p 0.01( 0.61%)d 0.01( 0.51%) 0.0000 0.0003 0.9938 -0.0345 -0.0024 -0.0389 0.0042 0.0673 0.0000 0.0000 -0.0620 0.0000 0.0000 -0.0358 -0.0029 192. (0.00005) RY ( 7) C 13 s( 94.40%)p 0.00( 0.24%)d 0.06( 5.36%) 193. (0.00005) RY ( 8) C 13 s( 0.00%)p 1.00( 3.28%)d29.44( 96.72%) 194. (0.00003) RY ( 9) C 13 s( 3.61%)p 2.88( 10.39%)d23.84( 86.00%) 195. (0.00000) RY (10) C 13 s( 2.22%)p 0.02( 0.04%)d43.95( 97.74%) 196. (0.00448) RY ( 1) C 14 s( 0.57%)p99.99( 92.44%)d12.15( 6.98%) 0.0000 -0.0081 0.0751 -0.0066 0.0273 0.9599 0.0052 0.0467 0.0000 0.0000 -0.0292 0.0000 0.0000 -0.2603 0.0350 197. (0.00175) RY ( 2) C 14 s( 0.09%)p99.99( 97.06%)d32.13( 2.85%) 0.0000 0.0170 0.0078 0.0232 -0.0003 0.0492 0.0194 -0.9838 0.0000 0.0000 -0.1669 0.0000 0.0000 0.0257 0.0051 198. (0.00088) RY ( 3) C 14 s( 0.00%)p 1.00( 21.35%)d 3.68( 78.65%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0123 -0.4619 0.0000 0.0751 0.8837 0.0000 0.0000 199. (0.00033) RY ( 4) C 14 s( 0.00%)p 1.00( 64.90%)d 0.54( 35.10%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0056 0.8056 0.0000 -0.3812 0.4535 0.0000 0.0000 200. (0.00031) RY ( 5) C 14 s( 92.70%)p 0.02( 1.41%)d 0.06( 5.89%) 0.0000 0.0056 0.9311 -0.2450 -0.0084 -0.1155 -0.0031 0.0253 0.0000 0.0000 -0.1882 0.0000 0.0000 -0.1129 0.1036 201. (0.00012) RY ( 6) C 14 s( 5.24%)p 0.58( 3.03%)d17.52( 91.73%) 0.0000 -0.0002 0.1789 0.1427 -0.0053 -0.0651 0.0255 -0.1594 0.0000 0.0000 0.9008 0.0000 0.0000 -0.3247 -0.0210 202. (0.00004) RY ( 7) C 14 s( 56.08%)p 0.05( 2.60%)d 0.74( 41.32%) 203. (0.00002) RY ( 8) C 14 s( 42.78%)p 0.08( 3.45%)d 1.26( 53.78%) 204. (0.00001) RY ( 9) C 14 s( 0.00%)p 1.00( 13.79%)d 6.25( 86.21%) 205. (0.00000) RY (10) C 14 s( 2.63%)p 0.04( 0.12%)d36.91( 97.25%) 206. (0.00514) RY ( 1) C 15 s( 0.03%)p99.99( 93.15%)d99.99( 6.82%) 0.0000 0.0119 0.0139 0.0004 -0.0204 -0.5476 -0.0300 -0.7939 0.0000 0.0000 0.2279 0.0000 0.0000 -0.1264 -0.0160 207. (0.00243) RY ( 2) C 15 s( 3.62%)p26.21( 94.92%)d 0.40( 1.46%) 0.0000 -0.0028 0.1889 -0.0232 0.0294 -0.8056 -0.0243 0.5466 0.0000 0.0000 -0.0870 0.0000 0.0000 -0.0810 0.0209 208. (0.00050) RY ( 3) C 15 s( 0.00%)p 1.00( 7.38%)d12.55( 92.62%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0066 -0.2716 0.0000 0.8999 -0.3412 0.0000 0.0000 209. (0.00034) RY ( 4) C 15 s( 0.00%)p 1.00( 82.16%)d 0.22( 17.84%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0041 0.9064 0.0000 0.1199 -0.4050 0.0000 0.0000 210. (0.00023) RY ( 5) C 15 s( 78.80%)p 0.06( 4.80%)d 0.21( 16.40%) 0.0000 0.0057 0.8645 -0.2017 -0.0250 0.1968 -0.0034 -0.0929 0.0000 0.0000 -0.1079 0.0000 0.0000 -0.3770 0.1009 211. (0.00014) RY ( 6) C 15 s( 18.15%)p 0.01( 0.13%)d 4.50( 81.72%) 0.0000 0.0005 0.4243 0.0383 0.0162 -0.0230 -0.0215 0.0025 0.0000 0.0000 0.3783 0.0000 0.0000 0.8201 -0.0392 212. (0.00005) RY ( 7) C 15 s( 93.95%)p 0.00( 0.26%)d 0.06( 5.79%) 213. (0.00001) RY ( 8) C 15 s( 1.78%)p 3.66( 6.52%)d51.47( 91.70%) 214. (0.00000) RY ( 9) C 15 s( 0.00%)p 1.00( 10.51%)d 8.52( 89.49%) 215. (0.00000) RY (10) C 15 s( 3.71%)p 0.10( 0.38%)d25.82( 95.90%) 216. (0.00444) RY ( 1) C 16 s( 0.18%)p99.99( 90.78%)d51.44( 9.04%) 0.0000 -0.0134 0.0367 -0.0152 -0.0193 -0.4760 0.0334 0.8245 0.0000 0.0000 0.2595 0.0000 0.0000 0.1498 0.0250 217. (0.00235) RY ( 2) C 16 s( 0.00%)p 1.00( 99.05%)d 0.01( 0.95%) 0.0000 0.0000 0.0000 0.0000 -0.0358 0.8611 -0.0207 0.4972 0.0000 0.0000 0.0488 0.0000 0.0000 -0.0846 0.0000 218. (0.00063) RY ( 3) C 16 s( 0.00%)p 1.00( 0.49%)d99.99( 99.51%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0110 0.0695 0.0000 0.8755 0.4781 0.0000 0.0000 219. (0.00030) RY ( 4) C 16 s( 0.00%)p 1.00( 88.91%)d 0.12( 11.09%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0015 0.9429 0.0000 0.0988 -0.3179 0.0000 0.0000 220. (0.00011) RY ( 5) C 16 s( 0.00%)p 1.00( 1.03%)d95.97( 98.97%) 0.0000 0.0000 0.0000 0.0000 -0.0276 0.0835 -0.0160 0.0482 0.0000 0.0000 -0.4974 0.0000 0.0000 0.8615 0.0000 221. (0.00007) RY ( 6) C 16 s( 99.48%)p 0.00( 0.19%)d 0.00( 0.32%) 222. (0.00004) RY ( 7) C 16 s( 96.91%)p 0.00( 0.03%)d 0.03( 3.07%) 223. (0.00000) RY ( 8) C 16 s( 0.10%)p88.60( 9.02%)d99.99( 90.88%) 224. (0.00000) RY ( 9) C 16 s( 0.00%)p 1.00( 10.66%)d 8.38( 89.34%) 225. (0.00000) RY (10) C 16 s( 3.40%)p 0.01( 0.04%)d28.36( 96.56%) 226. (0.00514) RY ( 1) C 17 s( 0.03%)p99.99( 93.15%)d99.99( 6.82%) 0.0000 0.0119 0.0139 0.0004 0.0362 0.9614 0.0027 0.0773 0.0000 0.0000 0.0045 0.0000 0.0000 0.2606 -0.0160 227. (0.00243) RY ( 2) C 17 s( 3.62%)p26.21( 94.92%)d 0.40( 1.46%) 0.0000 -0.0028 0.1889 -0.0232 0.0063 -0.0706 -0.0376 0.9710 0.0000 0.0000 -0.1136 0.0000 0.0000 -0.0348 0.0209 228. (0.00048) RY ( 3) C 17 s( 0.00%)p 1.00( 0.52%)d99.99( 99.48%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0077 0.0717 0.0000 0.0890 0.9934 0.0000 0.0000 229. (0.00035) RY ( 4) C 17 s( 0.00%)p 1.00( 89.04%)d 0.12( 10.96%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0015 0.9436 0.0000 0.3168 -0.0964 0.0000 0.0000 230. (0.00023) RY ( 5) C 17 s( 78.80%)p 0.06( 4.80%)d 0.21( 16.40%) 0.0000 0.0057 0.8645 -0.2017 0.0154 -0.0180 0.0199 -0.2169 0.0000 0.0000 -0.3805 0.0000 0.0000 0.0950 0.1009 231. (0.00014) RY ( 6) C 17 s( 18.15%)p 0.01( 0.13%)d 4.50( 81.73%) 0.0000 0.0005 0.4243 0.0383 0.0105 0.0093 -0.0248 0.0211 0.0000 0.0000 0.8994 0.0000 0.0000 -0.0825 -0.0392 232. (0.00005) RY ( 7) C 17 s( 93.95%)p 0.00( 0.26%)d 0.06( 5.79%) 233. (0.00001) RY ( 8) C 17 s( 1.78%)p 3.66( 6.52%)d51.47( 91.70%) 234. (0.00000) RY ( 9) C 17 s( 0.00%)p 1.00( 10.49%)d 8.53( 89.51%) 235. (0.00000) RY (10) C 17 s( 3.71%)p 0.10( 0.38%)d25.82( 95.90%) 236. (0.00448) RY ( 1) C 18 s( 0.57%)p99.99( 92.44%)d12.15( 6.98%) 0.0000 -0.0081 0.0751 -0.0066 -0.0182 -0.5204 -0.0211 -0.8080 0.0000 0.0000 -0.2400 0.0000 0.0000 0.1049 0.0350 237. (0.00175) RY ( 2) C 18 s( 0.09%)p99.99( 97.06%)d32.13( 2.85%) 0.0000 0.0170 0.0078 0.0232 -0.0167 0.8273 0.0100 -0.5345 0.0000 0.0000 -0.0612 0.0000 0.0000 -0.1574 0.0051 238. (0.00073) RY ( 3) C 18 s( 0.00%)p 1.00( 16.15%)d 5.19( 83.85%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0118 0.4017 0.0000 0.8168 -0.4140 0.0000 0.0000 239. (0.00035) RY ( 4) C 18 s( 0.00%)p 1.00( 70.04%)d 0.43( 29.96%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0101 0.8369 0.0000 -0.1437 0.5281 0.0000 0.0000 240. (0.00031) RY ( 5) C 18 s( 92.70%)p 0.02( 1.41%)d 0.06( 5.89%) 0.0000 0.0056 0.9311 -0.2450 0.0069 0.0358 0.0057 0.1127 0.0000 0.0000 -0.1918 0.0000 0.0000 -0.1065 0.1036 241. (0.00012) RY ( 6) C 18 s( 5.24%)p 0.58( 3.03%)d17.52( 91.73%) 0.0000 -0.0002 0.1789 0.1427 -0.0194 0.1706 0.0173 -0.0233 0.0000 0.0000 0.1692 0.0000 0.0000 0.9425 -0.0210 242. (0.00004) RY ( 7) C 18 s( 56.08%)p 0.05( 2.60%)d 0.74( 41.32%) 243. (0.00002) RY ( 8) C 18 s( 42.78%)p 0.08( 3.45%)d 1.26( 53.77%) 244. (0.00001) RY ( 9) C 18 s( 0.00%)p 1.00( 13.85%)d 6.22( 86.15%) 245. (0.00000) RY (10) C 18 s( 2.63%)p 0.04( 0.12%)d36.91( 97.25%) 246. (0.00179) RY ( 1) H 19 s(100.00%) 0.0005 1.0000 247. (0.00073) RY ( 1) H 20 s(100.00%) -0.0018 1.0000 248. (0.00064) RY ( 1) H 21 s(100.00%) -0.0018 1.0000 249. (0.00073) RY ( 1) H 22 s(100.00%) -0.0018 1.0000 250. (0.00179) RY ( 1) H 23 s(100.00%) 0.0005 1.0000 251. (0.00543) RY ( 1) C 24 s( 0.00%)p 1.00( 96.77%)d 0.03( 3.23%) 0.0000 0.0000 0.0000 0.0000 -0.0084 0.8519 0.0049 -0.4919 0.0000 0.0000 0.0899 0.0000 0.0000 0.1556 0.0000 252. (0.00403) RY ( 2) C 24 s( 0.95%)p93.49( 88.77%)d10.83( 10.28%) 0.0000 0.0025 0.0972 0.0068 0.0128 0.4709 0.0222 0.8156 0.0000 0.0000 -0.2776 0.0000 0.0000 0.1603 0.0084 253. (0.00061) RY ( 3) C 24 s( 0.00%)p 1.00( 0.52%)d99.99( 99.48%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0102 -0.0716 0.0000 0.8989 -0.4322 0.0000 0.0000 254. (0.00038) RY ( 4) C 24 s( 0.00%)p 1.00( 97.79%)d 0.02( 2.21%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0017 0.9889 0.0000 0.1206 0.0868 0.0000 0.0000 255. (0.00028) RY ( 5) C 24 s( 0.00%)p 1.00( 1.70%)d57.84( 98.30%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0077 -0.1301 0.0000 0.4211 0.8976 0.0000 0.0000 256. (0.00018) RY ( 6) C 24 s( 98.88%)p 0.01( 0.61%)d 0.01( 0.51%) 0.0000 0.0003 0.9938 -0.0345 -0.0024 -0.0389 -0.0042 -0.0673 0.0000 0.0000 0.0620 0.0000 0.0000 -0.0358 -0.0029 257. (0.00005) RY ( 7) C 24 s( 94.40%)p 0.00( 0.24%)d 0.06( 5.36%) 258. (0.00005) RY ( 8) C 24 s( 0.00%)p 1.00( 3.28%)d29.44( 96.72%) 259. (0.00003) RY ( 9) C 24 s( 3.61%)p 2.88( 10.39%)d23.84( 86.00%) 260. (0.00000) RY (10) C 24 s( 2.22%)p 0.02( 0.04%)d43.95( 97.74%) 261. (0.00448) RY ( 1) C 25 s( 0.57%)p99.99( 92.44%)d12.15( 6.98%) 0.0000 -0.0081 0.0751 -0.0066 -0.0182 -0.5204 0.0211 0.8080 0.0000 0.0000 0.2400 0.0000 0.0000 0.1049 0.0350 262. (0.00175) RY ( 2) C 25 s( 0.09%)p99.99( 97.06%)d32.13( 2.85%) 0.0000 0.0170 0.0078 0.0232 -0.0167 0.8274 -0.0100 0.5345 0.0000 0.0000 0.0612 0.0000 0.0000 -0.1574 0.0051 263. (0.00088) RY ( 3) C 25 s( 0.00%)p 1.00( 21.35%)d 3.68( 78.65%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0123 0.4619 0.0000 0.8029 0.3768 0.0000 0.0000 264. (0.00033) RY ( 4) C 25 s( 0.00%)p 1.00( 64.90%)d 0.54( 35.10%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0056 0.8056 0.0000 -0.2022 -0.5569 0.0000 0.0000 265. (0.00031) RY ( 5) C 25 s( 92.70%)p 0.02( 1.41%)d 0.06( 5.89%) 0.0000 0.0056 0.9311 -0.2450 0.0069 0.0358 -0.0057 -0.1127 0.0000 0.0000 0.1918 0.0000 0.0000 -0.1065 0.1036 266. (0.00012) RY ( 6) C 25 s( 5.24%)p 0.58( 3.03%)d17.52( 91.73%) 0.0000 -0.0002 0.1789 0.1427 -0.0194 0.1706 -0.0173 0.0233 0.0000 0.0000 -0.1692 0.0000 0.0000 0.9425 -0.0210 267. (0.00004) RY ( 7) C 25 s( 56.08%)p 0.05( 2.60%)d 0.74( 41.32%) 268. (0.00002) RY ( 8) C 25 s( 42.78%)p 0.08( 3.45%)d 1.26( 53.78%) 269. (0.00001) RY ( 9) C 25 s( 0.00%)p 1.00( 13.79%)d 6.25( 86.21%) 270. (0.00000) RY (10) C 25 s( 2.63%)p 0.04( 0.12%)d36.91( 97.25%) 271. (0.00514) RY ( 1) C 26 s( 0.03%)p99.99( 93.15%)d99.99( 6.82%) 0.0000 0.0119 0.0139 0.0004 0.0362 0.9614 -0.0027 -0.0773 0.0000 0.0000 -0.0045 0.0000 0.0000 0.2606 -0.0160 272. (0.00243) RY ( 2) C 26 s( 3.62%)p26.21( 94.92%)d 0.40( 1.46%) 0.0000 -0.0028 0.1889 -0.0232 0.0063 -0.0706 0.0376 -0.9710 0.0000 0.0000 0.1136 0.0000 0.0000 -0.0348 0.0209 273. (0.00050) RY ( 3) C 26 s( 0.00%)p 1.00( 7.38%)d12.55( 92.62%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0066 -0.2716 0.0000 -0.1544 0.9499 0.0000 0.0000 274. (0.00034) RY ( 4) C 26 s( 0.00%)p 1.00( 82.16%)d 0.22( 17.84%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0041 0.9064 0.0000 0.2908 0.3064 0.0000 0.0000 275. (0.00023) RY ( 5) C 26 s( 78.80%)p 0.06( 4.80%)d 0.21( 16.40%) 0.0000 0.0057 0.8645 -0.2017 0.0154 -0.0180 -0.0199 0.2169 0.0000 0.0000 0.3805 0.0000 0.0000 0.0950 0.1009 276. (0.00014) RY ( 6) C 26 s( 18.15%)p 0.01( 0.13%)d 4.50( 81.72%) 0.0000 0.0005 0.4243 0.0383 0.0105 0.0093 0.0248 -0.0211 0.0000 0.0000 -0.8994 0.0000 0.0000 -0.0825 -0.0392 277. (0.00005) RY ( 7) C 26 s( 93.95%)p 0.00( 0.26%)d 0.06( 5.79%) 278. (0.00001) RY ( 8) C 26 s( 1.78%)p 3.66( 6.52%)d51.47( 91.70%) 279. (0.00000) RY ( 9) C 26 s( 0.00%)p 1.00( 10.51%)d 8.52( 89.49%) 280. (0.00000) RY (10) C 26 s( 3.71%)p 0.10( 0.38%)d25.82( 95.90%) 281. (0.00444) RY ( 1) C 27 s( 0.18%)p99.99( 90.78%)d51.44( 9.04%) 0.0000 -0.0134 0.0367 -0.0152 -0.0193 -0.4760 -0.0334 -0.8245 0.0000 0.0000 -0.2595 0.0000 0.0000 0.1498 0.0250 282. (0.00235) RY ( 2) C 27 s( 0.00%)p 1.00( 99.05%)d 0.01( 0.95%) 0.0000 0.0000 0.0000 0.0000 -0.0358 0.8611 0.0207 -0.4972 0.0000 0.0000 -0.0488 0.0000 0.0000 -0.0846 0.0000 283. (0.00063) RY ( 3) C 27 s( 0.00%)p 1.00( 0.49%)d99.99( 99.51%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0110 -0.0695 0.0000 0.8518 -0.5191 0.0000 0.0000 284. (0.00030) RY ( 4) C 27 s( 0.00%)p 1.00( 88.91%)d 0.12( 11.09%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0015 0.9429 0.0000 0.2259 0.2446 0.0000 0.0000 285. (0.00011) RY ( 5) C 27 s( 0.00%)p 1.00( 1.03%)d95.97( 98.97%) 0.0000 0.0000 0.0000 0.0000 -0.0276 0.0835 0.0160 -0.0482 0.0000 0.0000 0.4974 0.0000 0.0000 0.8616 0.0000 286. (0.00007) RY ( 6) C 27 s( 99.48%)p 0.00( 0.19%)d 0.00( 0.32%) 287. (0.00004) RY ( 7) C 27 s( 96.91%)p 0.00( 0.03%)d 0.03( 3.07%) 288. (0.00000) RY ( 8) C 27 s( 0.10%)p88.60( 9.02%)d99.99( 90.88%) 289. (0.00000) RY ( 9) C 27 s( 0.00%)p 1.00( 10.66%)d 8.38( 89.34%) 290. (0.00000) RY (10) C 27 s( 3.40%)p 0.01( 0.04%)d28.36( 96.56%) 291. (0.00514) RY ( 1) C 28 s( 0.03%)p99.99( 93.15%)d99.99( 6.82%) 0.0000 0.0119 0.0139 0.0004 -0.0204 -0.5476 0.0300 0.7939 0.0000 0.0000 -0.2279 0.0000 0.0000 -0.1264 -0.0160 292. (0.00243) RY ( 2) C 28 s( 3.62%)p26.21( 94.92%)d 0.40( 1.46%) 0.0000 -0.0028 0.1889 -0.0232 0.0294 -0.8056 0.0243 -0.5466 0.0000 0.0000 0.0870 0.0000 0.0000 -0.0810 0.0209 293. (0.00048) RY ( 3) C 28 s( 0.00%)p 1.00( 0.52%)d99.99( 99.48%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0077 -0.0717 0.0000 0.9048 0.4196 0.0000 0.0000 294. (0.00035) RY ( 4) C 28 s( 0.00%)p 1.00( 89.04%)d 0.12( 10.96%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0015 0.9436 0.0000 -0.0749 0.3225 0.0000 0.0000 295. (0.00023) RY ( 5) C 28 s( 78.80%)p 0.06( 4.80%)d 0.21( 16.40%) 0.0000 0.0057 0.8645 -0.2017 -0.0250 0.1968 0.0034 0.0929 0.0000 0.0000 0.1079 0.0000 0.0000 -0.3770 0.1009 296. (0.00014) RY ( 6) C 28 s( 18.15%)p 0.01( 0.13%)d 4.50( 81.73%) 0.0000 0.0005 0.4243 0.0383 0.0162 -0.0230 0.0215 -0.0025 0.0000 0.0000 -0.3783 0.0000 0.0000 0.8201 -0.0392 297. (0.00005) RY ( 7) C 28 s( 93.95%)p 0.00( 0.26%)d 0.06( 5.79%) 298. (0.00001) RY ( 8) C 28 s( 1.78%)p 3.66( 6.52%)d51.47( 91.70%) 299. (0.00000) RY ( 9) C 28 s( 0.00%)p 1.00( 10.49%)d 8.53( 89.51%) 300. (0.00000) RY (10) C 28 s( 3.71%)p 0.10( 0.38%)d25.82( 95.90%) 301. (0.00448) RY ( 1) C 29 s( 0.57%)p99.99( 92.44%)d12.15( 6.98%) 0.0000 -0.0081 0.0751 -0.0066 0.0273 0.9599 -0.0052 -0.0467 0.0000 0.0000 0.0292 0.0000 0.0000 -0.2603 0.0350 302. (0.00175) RY ( 2) C 29 s( 0.09%)p99.99( 97.06%)d32.13( 2.85%) 0.0000 0.0170 0.0078 0.0232 -0.0003 0.0492 -0.0194 0.9838 0.0000 0.0000 0.1669 0.0000 0.0000 0.0257 0.0051 303. (0.00073) RY ( 3) C 29 s( 0.00%)p 1.00( 16.15%)d 5.19( 83.85%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0118 0.4017 0.0000 -0.0499 0.9144 0.0000 0.0000 304. (0.00035) RY ( 4) C 29 s( 0.00%)p 1.00( 70.04%)d 0.43( 29.96%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0101 0.8369 0.0000 -0.3855 -0.3885 0.0000 0.0000 305. (0.00031) RY ( 5) C 29 s( 92.70%)p 0.02( 1.41%)d 0.06( 5.89%) 0.0000 0.0056 0.9311 -0.2450 -0.0084 -0.1155 0.0031 -0.0253 0.0000 0.0000 0.1882 0.0000 0.0000 -0.1129 0.1036 306. (0.00012) RY ( 6) C 29 s( 5.24%)p 0.58( 3.03%)d17.52( 91.73%) 0.0000 -0.0002 0.1789 0.1427 -0.0053 -0.0651 -0.0255 0.1594 0.0000 0.0000 -0.9008 0.0000 0.0000 -0.3247 -0.0210 307. (0.00004) RY ( 7) C 29 s( 56.08%)p 0.05( 2.60%)d 0.74( 41.32%) 308. (0.00002) RY ( 8) C 29 s( 42.78%)p 0.08( 3.45%)d 1.26( 53.77%) 309. (0.00001) RY ( 9) C 29 s( 0.00%)p 1.00( 13.85%)d 6.22( 86.15%) 310. (0.00000) RY (10) C 29 s( 2.63%)p 0.04( 0.12%)d36.91( 97.25%) 311. (0.00179) RY ( 1) H 30 s(100.00%) 0.0005 1.0000 312. (0.00073) RY ( 1) H 31 s(100.00%) -0.0018 1.0000 313. (0.00064) RY ( 1) H 32 s(100.00%) -0.0018 1.0000 314. (0.00073) RY ( 1) H 33 s(100.00%) -0.0018 1.0000 315. (0.00179) RY ( 1) H 34 s(100.00%) 0.0005 1.0000 NHO DIRECTIONALITY AND BOND BENDING (deviation from line of nuclear centers at the position of maximum hybrid amplitude) [Thresholds for printing: angular deviation > 1.0 degree] p- or d-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev =============================================================================== 23. BD ( 1) C 2- C 3 90.0 54.2 90.0 58.6 4.4 90.0 232.9 1.3 24. BD ( 1) C 2- C 7 90.0 305.8 90.0 301.4 4.4 90.0 127.1 1.3 25. BD ( 2) C 2- C 7 90.0 305.8 0.5 304.9 89.5 0.6 103.3 89.4 26. BD ( 1) C 3- C 4 90.0 0.5 90.0 358.4 2.1 -- -- -- 27. BD ( 2) C 3- C 4 90.0 0.5 0.7 349.6 89.3 0.7 207.9 89.4 28. BD ( 1) C 3- H 12 90.0 110.6 90.0 112.3 1.7 -- -- -- 29. BD ( 1) C 4- C 5 90.0 301.9 90.0 304.3 2.4 90.0 119.1 2.8 31. BD ( 1) C 5- C 6 90.0 238.1 90.0 240.9 2.8 90.0 55.7 2.4 32. BD ( 2) C 5- C 6 90.0 238.1 0.9 212.0 89.2 0.7 97.7 89.5 34. BD ( 1) C 6- C 7 90.0 179.5 -- -- -- 90.0 1.6 2.1 36. BD ( 1) C 7- H 8 90.0 249.4 90.0 247.7 1.7 -- -- -- 37. BD ( 1) C 13- C 14 90.0 65.8 90.0 61.4 4.4 90.0 247.1 1.3 38. BD ( 2) C 13- C 14 90.0 65.8 0.5 64.9 89.5 0.6 223.3 89.4 39. BD ( 1) C 13- C 18 90.0 174.2 90.0 178.6 4.4 90.0 352.9 1.3 40. BD ( 1) C 14- C 15 90.0 119.5 90.0 121.6 2.1 -- -- -- 41. BD ( 1) C 14- H 23 90.0 9.4 90.0 7.7 1.7 -- -- -- 42. BD ( 1) C 15- C 16 90.0 178.1 90.0 175.7 2.4 90.0 0.9 2.8 43. BD ( 2) C 15- C 16 90.0 178.1 0.7 217.7 89.5 0.9 332.0 89.2 45. BD ( 1) C 16- C 17 90.0 241.9 90.0 239.1 2.8 90.0 64.3 2.4 47. BD ( 1) C 17- C 18 90.0 300.5 -- -- -- 90.0 118.4 2.1 48. BD ( 2) C 17- C 18 90.0 300.5 0.7 327.9 89.4 0.7 109.6 89.3 50. BD ( 1) C 18- H 19 90.0 230.6 90.0 232.3 1.7 -- -- -- 51. BD ( 1) C 24- C 25 90.0 185.8 90.0 181.4 4.4 90.0 7.1 1.3 52. BD ( 2) C 24- C 25 90.0 185.8 0.5 184.9 89.5 0.6 343.3 89.4 53. BD ( 1) C 24- C 29 90.0 294.2 90.0 298.6 4.4 90.0 112.9 1.3 54. BD ( 1) C 25- C 26 90.0 239.5 90.0 241.6 2.1 -- -- -- 55. BD ( 1) C 25- H 34 90.0 129.4 90.0 127.7 1.7 -- -- -- 56. BD ( 1) C 26- C 27 90.0 298.1 90.0 295.7 2.4 90.0 120.9 2.8 57. BD ( 2) C 26- C 27 90.0 298.1 0.7 337.7 89.5 0.9 92.0 89.2 59. BD ( 1) C 27- C 28 90.0 1.9 90.0 359.1 2.8 90.0 184.3 2.4 61. BD ( 1) C 28- C 29 90.0 60.5 -- -- -- 90.0 238.4 2.1 62. BD ( 2) C 28- C 29 90.0 60.5 0.7 87.9 89.4 0.7 229.6 89.3 64. BD ( 1) C 29- H 30 90.0 350.6 90.0 352.3 1.7 -- -- -- SECOND ORDER PERTURBATION THEORY ANALYSIS OF FOCK MATRIX IN NBO BASIS Threshold for printing: 0.50 kcal/mol E(2) E(NL)-E(L) F(L,NL) Donor (L) NBO Acceptor (NL) NBO kcal/mol a.u. a.u. =============================================================================== within unit 1 20. BD ( 1) C 1- C 2 69. BD*( 1) C 2- C 3 1.14 1.10 0.032 20. BD ( 1) C 1- C 2 70. BD*( 1) C 2- C 7 1.14 1.10 0.032 20. BD ( 1) C 1- C 2 72. BD*( 1) C 3- C 4 1.31 1.18 0.035 20. BD ( 1) C 1- C 2 80. BD*( 1) C 6- C 7 1.31 1.18 0.035 20. BD ( 1) C 1- C 2 85. BD*( 1) C 13- C 18 1.71 1.10 0.039 20. BD ( 1) C 1- C 2 97. BD*( 1) C 24- C 25 1.71 1.10 0.039 20. BD ( 1) C 1- C 2 131. RY ( 1) C 3 0.84 1.93 0.036 20. BD ( 1) C 1- C 2 171. RY ( 1) C 7 0.84 1.93 0.036 20. BD ( 1) C 1- C 2 186. RY ( 1) C 13 1.42 1.78 0.045 20. BD ( 1) C 1- C 2 251. RY ( 1) C 24 1.42 1.78 0.045 21. BD ( 1) C 1- C 13 70. BD*( 1) C 2- C 7 1.71 1.10 0.039 21. BD ( 1) C 1- C 13 83. BD*( 1) C 13- C 14 1.14 1.10 0.032 21. BD ( 1) C 1- C 13 85. BD*( 1) C 13- C 18 1.14 1.10 0.032 21. BD ( 1) C 1- C 13 86. BD*( 1) C 14- C 15 1.31 1.18 0.035 21. BD ( 1) C 1- C 13 93. BD*( 1) C 17- C 18 1.31 1.18 0.035 21. BD ( 1) C 1- C 13 99. BD*( 1) C 24- C 29 1.71 1.10 0.039 21. BD ( 1) C 1- C 13 121. RY ( 1) C 2 1.42 1.78 0.045 21. BD ( 1) C 1- C 13 196. RY ( 1) C 14 0.84 1.93 0.036 21. BD ( 1) C 1- C 13 236. RY ( 1) C 18 0.84 1.93 0.036 21. BD ( 1) C 1- C 13 251. RY ( 1) C 24 1.42 1.78 0.045 22. BD ( 1) C 1- C 24 69. BD*( 1) C 2- C 3 1.71 1.10 0.039 22. BD ( 1) C 1- C 24 83. BD*( 1) C 13- C 14 1.71 1.10 0.039 22. BD ( 1) C 1- C 24 97. BD*( 1) C 24- C 25 1.14 1.10 0.032 22. BD ( 1) C 1- C 24 99. BD*( 1) C 24- C 29 1.14 1.10 0.032 22. BD ( 1) C 1- C 24 100. BD*( 1) C 25- C 26 1.31 1.18 0.035 22. BD ( 1) C 1- C 24 107. BD*( 1) C 28- C 29 1.31 1.18 0.035 22. BD ( 1) C 1- C 24 121. RY ( 1) C 2 1.42 1.78 0.045 22. BD ( 1) C 1- C 24 186. RY ( 1) C 13 1.42 1.78 0.045 22. BD ( 1) C 1- C 24 261. RY ( 1) C 25 0.84 1.93 0.036 22. BD ( 1) C 1- C 24 301. RY ( 1) C 29 0.84 1.93 0.036 23. BD ( 1) C 2- C 3 66. BD*( 1) C 1- C 2 1.08 0.97 0.029 23. BD ( 1) C 2- C 3 68. BD*( 1) C 1- C 24 1.30 0.97 0.032 23. BD ( 1) C 2- C 3 70. BD*( 1) C 2- C 7 1.69 1.10 0.038 23. BD ( 1) C 2- C 3 72. BD*( 1) C 3- C 4 1.68 1.18 0.040 23. BD ( 1) C 2- C 3 74. BD*( 1) C 3- H 12 1.39 1.16 0.036 23. BD ( 1) C 2- C 3 76. BD*( 1) C 4- H 11 1.06 1.08 0.030 23. BD ( 1) C 2- C 3 82. BD*( 1) C 7- H 8 2.64 1.16 0.049 23. BD ( 1) C 2- C 3 111. RY ( 1) C 1 1.08 1.93 0.041 23. BD ( 1) C 2- C 3 141. RY ( 1) C 4 0.85 1.84 0.035 23. BD ( 1) C 2- C 3 142. RY ( 2) C 4 0.85 1.34 0.030 23. BD ( 1) C 2- C 3 171. RY ( 1) C 7 0.78 1.93 0.035 24. BD ( 1) C 2- C 7 66. BD*( 1) C 1- C 2 1.08 0.97 0.029 24. BD ( 1) C 2- C 7 67. BD*( 1) C 1- C 13 1.30 0.97 0.032 24. BD ( 1) C 2- C 7 69. BD*( 1) C 2- C 3 1.69 1.10 0.038 24. BD ( 1) C 2- C 7 74. BD*( 1) C 3- H 12 2.64 1.16 0.049 24. BD ( 1) C 2- C 7 80. BD*( 1) C 6- C 7 1.68 1.18 0.040 24. BD ( 1) C 2- C 7 81. BD*( 1) C 6- H 9 1.06 1.08 0.030 24. BD ( 1) C 2- C 7 82. BD*( 1) C 7- H 8 1.39 1.16 0.036 24. BD ( 1) C 2- C 7 111. RY ( 1) C 1 1.34 1.93 0.046 24. BD ( 1) C 2- C 7 131. RY ( 1) C 3 0.78 1.93 0.035 24. BD ( 1) C 2- C 7 161. RY ( 1) C 6 0.85 1.84 0.035 24. BD ( 1) C 2- C 7 162. RY ( 2) C 6 0.85 1.34 0.030 25. BD ( 2) C 2- C 7 65. LV ( 1) C 1 70.93 0.10 0.076 25. BD ( 2) C 2- C 7 73. BD*( 2) C 3- C 4 20.59 0.29 0.069 25. BD ( 2) C 2- C 7 78. BD*( 2) C 5- C 6 16.46 0.29 0.062 25. BD ( 2) C 2- C 7 113. RY ( 3) C 1 0.60 2.07 0.031 25. BD ( 2) C 2- C 7 133. RY ( 3) C 3 1.05 1.96 0.040 25. BD ( 2) C 2- C 7 164. RY ( 4) C 6 1.81 1.07 0.039 25. BD ( 2) C 2- C 7 174. RY ( 4) C 7 0.57 1.29 0.024 26. BD ( 1) C 3- C 4 66. BD*( 1) C 1- C 2 2.85 0.97 0.047 26. BD ( 1) C 3- C 4 69. BD*( 1) C 2- C 3 1.86 1.11 0.041 26. BD ( 1) C 3- C 4 74. BD*( 1) C 3- H 12 1.43 1.17 0.036 26. BD ( 1) C 3- C 4 75. BD*( 1) C 4- C 5 1.55 1.18 0.038 26. BD ( 1) C 3- C 4 76. BD*( 1) C 4- H 11 0.99 1.09 0.029 26. BD ( 1) C 3- C 4 79. BD*( 1) C 5- H 10 1.95 1.09 0.041 26. BD ( 1) C 3- C 4 121. RY ( 1) C 2 1.14 1.79 0.040 26. BD ( 1) C 3- C 4 122. RY ( 2) C 2 1.01 2.04 0.040 26. BD ( 1) C 3- C 4 151. RY ( 1) C 5 0.83 1.89 0.035 26. BD ( 1) C 3- C 4 152. RY ( 2) C 5 0.94 1.29 0.031 26. BD ( 1) C 3- C 4 185. RY ( 1) H 12 0.77 1.40 0.029 27. BD ( 2) C 3- C 4 71. BD*( 2) C 2- C 7 14.62 0.26 0.055 27. BD ( 2) C 3- C 4 78. BD*( 2) C 5- C 6 21.74 0.29 0.071 27. BD ( 2) C 3- C 4 124. RY ( 4) C 2 0.61 0.97 0.022 27. BD ( 2) C 3- C 4 154. RY ( 4) C 5 1.73 0.97 0.037 28. BD ( 1) C 3- H 12 70. BD*( 1) C 2- C 7 2.16 1.01 0.042 28. BD ( 1) C 3- H 12 72. BD*( 1) C 3- C 4 0.60 1.09 0.023 28. BD ( 1) C 3- H 12 75. BD*( 1) C 4- C 5 4.45 1.08 0.062 28. BD ( 1) C 3- H 12 87. BD*( 1) C 14- H 23 8.11 1.07 0.083 28. BD ( 1) C 3- H 12 122. RY ( 2) C 2 1.35 1.94 0.046 28. BD ( 1) C 3- H 12 141. RY ( 1) C 4 1.40 1.75 0.044 28. BD ( 1) C 3- H 12 250. RY ( 1) H 23 1.89 1.30 0.044 29. BD ( 1) C 4- C 5 72. BD*( 1) C 3- C 4 1.31 1.18 0.035 29. BD ( 1) C 4- C 5 74. BD*( 1) C 3- H 12 1.17 1.16 0.033 29. BD ( 1) C 4- C 5 76. BD*( 1) C 4- H 11 1.07 1.09 0.030 29. BD ( 1) C 4- C 5 77. BD*( 1) C 5- C 6 1.32 1.18 0.035 29. BD ( 1) C 4- C 5 79. BD*( 1) C 5- H 10 1.00 1.08 0.029 29. BD ( 1) C 4- C 5 81. BD*( 1) C 6- H 9 2.31 1.09 0.045 29. BD ( 1) C 4- C 5 131. RY ( 1) C 3 1.28 1.93 0.044 29. BD ( 1) C 4- C 5 132. RY ( 2) C 3 0.96 1.64 0.035 29. BD ( 1) C 4- C 5 161. RY ( 1) C 6 1.07 1.85 0.040 29. BD ( 1) C 4- C 5 162. RY ( 2) C 6 0.92 1.35 0.031 30. BD ( 1) C 4- H 11 69. BD*( 1) C 2- C 3 4.64 0.99 0.061 30. BD ( 1) C 4- H 11 72. BD*( 1) C 3- C 4 0.72 1.07 0.025 30. BD ( 1) C 4- H 11 77. BD*( 1) C 5- C 6 2.69 1.07 0.048 30. BD ( 1) C 4- H 11 131. RY ( 1) C 3 0.90 1.82 0.036 30. BD ( 1) C 4- H 11 151. RY ( 1) C 5 0.94 1.77 0.036 31. BD ( 1) C 5- C 6 75. BD*( 1) C 4- C 5 1.32 1.18 0.035 31. BD ( 1) C 5- C 6 76. BD*( 1) C 4- H 11 2.31 1.09 0.045 31. BD ( 1) C 5- C 6 79. BD*( 1) C 5- H 10 1.00 1.08 0.029 31. BD ( 1) C 5- C 6 80. BD*( 1) C 6- C 7 1.31 1.18 0.035 31. BD ( 1) C 5- C 6 81. BD*( 1) C 6- H 9 1.07 1.09 0.030 31. BD ( 1) C 5- C 6 82. BD*( 1) C 7- H 8 1.17 1.16 0.033 31. BD ( 1) C 5- C 6 141. RY ( 1) C 4 1.07 1.85 0.040 31. BD ( 1) C 5- C 6 142. RY ( 2) C 4 0.92 1.35 0.031 31. BD ( 1) C 5- C 6 171. RY ( 1) C 7 1.28 1.93 0.044 31. BD ( 1) C 5- C 6 172. RY ( 2) C 7 0.96 1.64 0.035 32. BD ( 2) C 5- C 6 71. BD*( 2) C 2- C 7 30.48 0.25 0.078 32. BD ( 2) C 5- C 6 73. BD*( 2) C 3- C 4 18.19 0.28 0.064 32. BD ( 2) C 5- C 6 78. BD*( 2) C 5- C 6 0.62 0.28 0.012 32. BD ( 2) C 5- C 6 143. RY ( 3) C 4 0.58 2.18 0.032 32. BD ( 2) C 5- C 6 144. RY ( 4) C 4 1.14 0.97 0.030 32. BD ( 2) C 5- C 6 164. RY ( 4) C 6 0.90 1.07 0.028 32. BD ( 2) C 5- C 6 174. RY ( 4) C 7 2.17 1.28 0.047 33. BD ( 1) C 5- H 10 72. BD*( 1) C 3- C 4 3.08 1.08 0.051 33. BD ( 1) C 5- H 10 80. BD*( 1) C 6- C 7 3.08 1.08 0.051 33. BD ( 1) C 5- H 10 141. RY ( 1) C 4 0.92 1.74 0.036 33. BD ( 1) C 5- H 10 161. RY ( 1) C 6 0.92 1.74 0.036 34. BD ( 1) C 6- C 7 66. BD*( 1) C 1- C 2 2.85 0.97 0.047 34. BD ( 1) C 6- C 7 70. BD*( 1) C 2- C 7 1.86 1.11 0.041 34. BD ( 1) C 6- C 7 77. BD*( 1) C 5- C 6 1.55 1.18 0.038 34. BD ( 1) C 6- C 7 79. BD*( 1) C 5- H 10 1.95 1.09 0.041 34. BD ( 1) C 6- C 7 81. BD*( 1) C 6- H 9 0.99 1.09 0.029 34. BD ( 1) C 6- C 7 82. BD*( 1) C 7- H 8 1.43 1.17 0.036 34. BD ( 1) C 6- C 7 121. RY ( 1) C 2 1.14 1.79 0.040 34. BD ( 1) C 6- C 7 122. RY ( 2) C 2 1.01 2.04 0.040 34. BD ( 1) C 6- C 7 151. RY ( 1) C 5 0.83 1.89 0.035 34. BD ( 1) C 6- C 7 152. RY ( 2) C 5 0.94 1.29 0.031 34. BD ( 1) C 6- C 7 181. RY ( 1) H 8 0.77 1.40 0.029 35. BD ( 1) C 6- H 9 70. BD*( 1) C 2- C 7 4.64 0.99 0.061 35. BD ( 1) C 6- H 9 75. BD*( 1) C 4- C 5 2.69 1.07 0.048 35. BD ( 1) C 6- H 9 80. BD*( 1) C 6- C 7 0.72 1.07 0.025 35. BD ( 1) C 6- H 9 151. RY ( 1) C 5 0.94 1.77 0.036 35. BD ( 1) C 6- H 9 171. RY ( 1) C 7 0.90 1.82 0.036 36. BD ( 1) C 7- H 8 69. BD*( 1) C 2- C 3 2.16 1.01 0.042 36. BD ( 1) C 7- H 8 77. BD*( 1) C 5- C 6 4.45 1.08 0.062 36. BD ( 1) C 7- H 8 80. BD*( 1) C 6- C 7 0.60 1.09 0.023 36. BD ( 1) C 7- H 8 110. BD*( 1) C 29- H 30 8.11 1.07 0.083 36. BD ( 1) C 7- H 8 122. RY ( 2) C 2 1.35 1.94 0.046 36. BD ( 1) C 7- H 8 161. RY ( 1) C 6 1.40 1.75 0.044 36. BD ( 1) C 7- H 8 311. RY ( 1) H 30 1.89 1.30 0.044 37. BD ( 1) C 13- C 14 67. BD*( 1) C 1- C 13 1.08 0.97 0.029 37. BD ( 1) C 13- C 14 68. BD*( 1) C 1- C 24 1.30 0.97 0.032 37. BD ( 1) C 13- C 14 85. BD*( 1) C 13- C 18 1.69 1.10 0.038 37. BD ( 1) C 13- C 14 86. BD*( 1) C 14- C 15 1.68 1.18 0.040 37. BD ( 1) C 13- C 14 87. BD*( 1) C 14- H 23 1.39 1.16 0.036 37. BD ( 1) C 13- C 14 90. BD*( 1) C 15- H 22 1.06 1.08 0.030 37. BD ( 1) C 13- C 14 96. BD*( 1) C 18- H 19 2.64 1.16 0.049 37. BD ( 1) C 13- C 14 112. RY ( 2) C 1 0.89 1.93 0.037 37. BD ( 1) C 13- C 14 206. RY ( 1) C 15 0.85 1.84 0.035 37. BD ( 1) C 13- C 14 207. RY ( 2) C 15 0.85 1.34 0.030 37. BD ( 1) C 13- C 14 236. RY ( 1) C 18 0.78 1.93 0.035 38. BD ( 2) C 13- C 14 65. LV ( 1) C 1 70.93 0.10 0.076 38. BD ( 2) C 13- C 14 89. BD*( 2) C 15- C 16 16.46 0.29 0.062 38. BD ( 2) C 13- C 14 94. BD*( 2) C 17- C 18 20.59 0.29 0.069 38. BD ( 2) C 13- C 14 199. RY ( 4) C 14 0.57 1.29 0.024 38. BD ( 2) C 13- C 14 209. RY ( 4) C 15 1.81 1.07 0.039 38. BD ( 2) C 13- C 14 238. RY ( 3) C 18 1.05 1.96 0.040 39. BD ( 1) C 13- C 18 66. BD*( 1) C 1- C 2 1.30 0.97 0.032 39. BD ( 1) C 13- C 18 67. BD*( 1) C 1- C 13 1.08 0.97 0.029 39. BD ( 1) C 13- C 18 83. BD*( 1) C 13- C 14 1.69 1.10 0.038 39. BD ( 1) C 13- C 18 87. BD*( 1) C 14- H 23 2.64 1.16 0.049 39. BD ( 1) C 13- C 18 93. BD*( 1) C 17- C 18 1.68 1.18 0.040 39. BD ( 1) C 13- C 18 95. BD*( 1) C 17- H 20 1.06 1.08 0.030 39. BD ( 1) C 13- C 18 96. BD*( 1) C 18- H 19 1.39 1.16 0.036 39. BD ( 1) C 13- C 18 111. RY ( 1) C 1 0.95 1.93 0.038 39. BD ( 1) C 13- C 18 196. RY ( 1) C 14 0.78 1.93 0.035 39. BD ( 1) C 13- C 18 226. RY ( 1) C 17 0.85 1.84 0.035 39. BD ( 1) C 13- C 18 227. RY ( 2) C 17 0.85 1.34 0.030 40. BD ( 1) C 14- C 15 67. BD*( 1) C 1- C 13 2.85 0.97 0.047 40. BD ( 1) C 14- C 15 83. BD*( 1) C 13- C 14 1.86 1.11 0.041 40. BD ( 1) C 14- C 15 87. BD*( 1) C 14- H 23 1.43 1.17 0.036 40. BD ( 1) C 14- C 15 88. BD*( 1) C 15- C 16 1.55 1.18 0.038 40. BD ( 1) C 14- C 15 90. BD*( 1) C 15- H 22 0.99 1.09 0.029 40. BD ( 1) C 14- C 15 92. BD*( 1) C 16- H 21 1.95 1.09 0.041 40. BD ( 1) C 14- C 15 186. RY ( 1) C 13 1.14 1.79 0.040 40. BD ( 1) C 14- C 15 187. RY ( 2) C 13 1.01 2.04 0.040 40. BD ( 1) C 14- C 15 216. RY ( 1) C 16 0.83 1.89 0.035 40. BD ( 1) C 14- C 15 217. RY ( 2) C 16 0.94 1.29 0.031 40. BD ( 1) C 14- C 15 250. RY ( 1) H 23 0.77 1.40 0.029 41. BD ( 1) C 14- H 23 74. BD*( 1) C 3- H 12 8.11 1.07 0.083 41. BD ( 1) C 14- H 23 85. BD*( 1) C 13- C 18 2.16 1.01 0.042 41. BD ( 1) C 14- H 23 86. BD*( 1) C 14- C 15 0.60 1.09 0.023 41. BD ( 1) C 14- H 23 88. BD*( 1) C 15- C 16 4.45 1.08 0.062 41. BD ( 1) C 14- H 23 185. RY ( 1) H 12 1.89 1.30 0.044 41. BD ( 1) C 14- H 23 187. RY ( 2) C 13 1.35 1.94 0.046 41. BD ( 1) C 14- H 23 206. RY ( 1) C 15 1.40 1.75 0.044 42. BD ( 1) C 15- C 16 86. BD*( 1) C 14- C 15 1.31 1.18 0.035 42. BD ( 1) C 15- C 16 87. BD*( 1) C 14- H 23 1.17 1.16 0.033 42. BD ( 1) C 15- C 16 90. BD*( 1) C 15- H 22 1.07 1.09 0.030 42. BD ( 1) C 15- C 16 91. BD*( 1) C 16- C 17 1.32 1.18 0.035 42. BD ( 1) C 15- C 16 92. BD*( 1) C 16- H 21 1.00 1.08 0.029 42. BD ( 1) C 15- C 16 95. BD*( 1) C 17- H 20 2.31 1.09 0.045 42. BD ( 1) C 15- C 16 196. RY ( 1) C 14 1.28 1.93 0.044 42. BD ( 1) C 15- C 16 197. RY ( 2) C 14 0.96 1.64 0.035 42. BD ( 1) C 15- C 16 226. RY ( 1) C 17 1.07 1.85 0.040 42. BD ( 1) C 15- C 16 227. RY ( 2) C 17 0.92 1.35 0.031 43. BD ( 2) C 15- C 16 84. BD*( 2) C 13- C 14 30.48 0.25 0.078 43. BD ( 2) C 15- C 16 89. BD*( 2) C 15- C 16 0.62 0.28 0.012 43. BD ( 2) C 15- C 16 94. BD*( 2) C 17- C 18 18.19 0.28 0.064 43. BD ( 2) C 15- C 16 199. RY ( 4) C 14 2.17 1.28 0.047 43. BD ( 2) C 15- C 16 209. RY ( 4) C 15 0.90 1.07 0.028 43. BD ( 2) C 15- C 16 228. RY ( 3) C 17 0.58 2.18 0.032 43. BD ( 2) C 15- C 16 229. RY ( 4) C 17 1.14 0.97 0.030 44. BD ( 1) C 15- H 22 83. BD*( 1) C 13- C 14 4.64 0.99 0.061 44. BD ( 1) C 15- H 22 86. BD*( 1) C 14- C 15 0.72 1.07 0.025 44. BD ( 1) C 15- H 22 91. BD*( 1) C 16- C 17 2.69 1.07 0.048 44. BD ( 1) C 15- H 22 196. RY ( 1) C 14 0.90 1.82 0.036 44. BD ( 1) C 15- H 22 216. RY ( 1) C 16 0.94 1.77 0.036 45. BD ( 1) C 16- C 17 88. BD*( 1) C 15- C 16 1.32 1.18 0.035 45. BD ( 1) C 16- C 17 90. BD*( 1) C 15- H 22 2.31 1.09 0.045 45. BD ( 1) C 16- C 17 92. BD*( 1) C 16- H 21 1.00 1.08 0.029 45. BD ( 1) C 16- C 17 93. BD*( 1) C 17- C 18 1.31 1.18 0.035 45. BD ( 1) C 16- C 17 95. BD*( 1) C 17- H 20 1.07 1.09 0.030 45. BD ( 1) C 16- C 17 96. BD*( 1) C 18- H 19 1.17 1.16 0.033 45. BD ( 1) C 16- C 17 206. RY ( 1) C 15 1.07 1.85 0.040 45. BD ( 1) C 16- C 17 207. RY ( 2) C 15 0.92 1.35 0.031 45. BD ( 1) C 16- C 17 236. RY ( 1) C 18 1.28 1.93 0.044 45. BD ( 1) C 16- C 17 237. RY ( 2) C 18 0.96 1.64 0.035 46. BD ( 1) C 16- H 21 86. BD*( 1) C 14- C 15 3.08 1.08 0.051 46. BD ( 1) C 16- H 21 93. BD*( 1) C 17- C 18 3.08 1.08 0.051 46. BD ( 1) C 16- H 21 206. RY ( 1) C 15 0.92 1.74 0.036 46. BD ( 1) C 16- H 21 226. RY ( 1) C 17 0.92 1.74 0.036 47. BD ( 1) C 17- C 18 67. BD*( 1) C 1- C 13 2.85 0.97 0.047 47. BD ( 1) C 17- C 18 85. BD*( 1) C 13- C 18 1.86 1.11 0.041 47. BD ( 1) C 17- C 18 91. BD*( 1) C 16- C 17 1.55 1.18 0.038 47. BD ( 1) C 17- C 18 92. BD*( 1) C 16- H 21 1.95 1.09 0.041 47. BD ( 1) C 17- C 18 95. BD*( 1) C 17- H 20 0.99 1.09 0.029 47. BD ( 1) C 17- C 18 96. BD*( 1) C 18- H 19 1.43 1.17 0.036 47. BD ( 1) C 17- C 18 186. RY ( 1) C 13 1.14 1.79 0.040 47. BD ( 1) C 17- C 18 187. RY ( 2) C 13 1.01 2.04 0.040 47. BD ( 1) C 17- C 18 216. RY ( 1) C 16 0.83 1.89 0.035 47. BD ( 1) C 17- C 18 217. RY ( 2) C 16 0.94 1.29 0.031 47. BD ( 1) C 17- C 18 246. RY ( 1) H 19 0.77 1.40 0.029 48. BD ( 2) C 17- C 18 84. BD*( 2) C 13- C 14 14.62 0.26 0.055 48. BD ( 2) C 17- C 18 89. BD*( 2) C 15- C 16 21.74 0.29 0.071 48. BD ( 2) C 17- C 18 189. RY ( 4) C 13 0.61 0.97 0.022 48. BD ( 2) C 17- C 18 219. RY ( 4) C 16 1.73 0.97 0.037 49. BD ( 1) C 17- H 20 85. BD*( 1) C 13- C 18 4.64 0.99 0.061 49. BD ( 1) C 17- H 20 88. BD*( 1) C 15- C 16 2.69 1.07 0.048 49. BD ( 1) C 17- H 20 93. BD*( 1) C 17- C 18 0.72 1.07 0.025 49. BD ( 1) C 17- H 20 216. RY ( 1) C 16 0.94 1.77 0.036 49. BD ( 1) C 17- H 20 236. RY ( 1) C 18 0.90 1.82 0.036 50. BD ( 1) C 18- H 19 83. BD*( 1) C 13- C 14 2.16 1.01 0.042 50. BD ( 1) C 18- H 19 91. BD*( 1) C 16- C 17 4.45 1.08 0.062 50. BD ( 1) C 18- H 19 93. BD*( 1) C 17- C 18 0.60 1.09 0.023 50. BD ( 1) C 18- H 19 101. BD*( 1) C 25- H 34 8.11 1.07 0.083 50. BD ( 1) C 18- H 19 187. RY ( 2) C 13 1.35 1.94 0.046 50. BD ( 1) C 18- H 19 226. RY ( 1) C 17 1.40 1.75 0.044 50. BD ( 1) C 18- H 19 315. RY ( 1) H 34 1.89 1.30 0.044 51. BD ( 1) C 24- C 25 66. BD*( 1) C 1- C 2 1.30 0.97 0.032 51. BD ( 1) C 24- C 25 68. BD*( 1) C 1- C 24 1.08 0.97 0.029 51. BD ( 1) C 24- C 25 99. BD*( 1) C 24- C 29 1.69 1.10 0.038 51. BD ( 1) C 24- C 25 100. BD*( 1) C 25- C 26 1.68 1.18 0.040 51. BD ( 1) C 24- C 25 101. BD*( 1) C 25- H 34 1.39 1.16 0.036 51. BD ( 1) C 24- C 25 104. BD*( 1) C 26- H 33 1.06 1.08 0.030 51. BD ( 1) C 24- C 25 110. BD*( 1) C 29- H 30 2.64 1.16 0.049 51. BD ( 1) C 24- C 25 112. RY ( 2) C 1 1.14 1.93 0.042 51. BD ( 1) C 24- C 25 271. RY ( 1) C 26 0.85 1.84 0.035 51. BD ( 1) C 24- C 25 272. RY ( 2) C 26 0.85 1.34 0.030 51. BD ( 1) C 24- C 25 301. RY ( 1) C 29 0.78 1.93 0.035 52. BD ( 2) C 24- C 25 65. LV ( 1) C 1 70.93 0.10 0.076 52. BD ( 2) C 24- C 25 103. BD*( 2) C 26- C 27 16.46 0.29 0.062 52. BD ( 2) C 24- C 25 108. BD*( 2) C 28- C 29 20.59 0.29 0.069 52. BD ( 2) C 24- C 25 264. RY ( 4) C 25 0.57 1.29 0.024 52. BD ( 2) C 24- C 25 274. RY ( 4) C 26 1.81 1.07 0.039 52. BD ( 2) C 24- C 25 303. RY ( 3) C 29 1.05 1.96 0.040 53. BD ( 1) C 24- C 29 67. BD*( 1) C 1- C 13 1.30 0.97 0.032 53. BD ( 1) C 24- C 29 68. BD*( 1) C 1- C 24 1.08 0.97 0.029 53. BD ( 1) C 24- C 29 97. BD*( 1) C 24- C 25 1.69 1.10 0.038 53. BD ( 1) C 24- C 29 101. BD*( 1) C 25- H 34 2.64 1.16 0.049 53. BD ( 1) C 24- C 29 107. BD*( 1) C 28- C 29 1.68 1.18 0.040 53. BD ( 1) C 24- C 29 109. BD*( 1) C 28- H 31 1.06 1.08 0.030 53. BD ( 1) C 24- C 29 110. BD*( 1) C 29- H 30 1.39 1.16 0.036 53. BD ( 1) C 24- C 29 112. RY ( 2) C 1 1.36 1.93 0.046 53. BD ( 1) C 24- C 29 261. RY ( 1) C 25 0.78 1.93 0.035 53. BD ( 1) C 24- C 29 291. RY ( 1) C 28 0.85 1.84 0.035 53. BD ( 1) C 24- C 29 292. RY ( 2) C 28 0.85 1.34 0.030 54. BD ( 1) C 25- C 26 68. BD*( 1) C 1- C 24 2.85 0.97 0.047 54. BD ( 1) C 25- C 26 97. BD*( 1) C 24- C 25 1.86 1.11 0.041 54. BD ( 1) C 25- C 26 101. BD*( 1) C 25- H 34 1.43 1.17 0.036 54. BD ( 1) C 25- C 26 102. BD*( 1) C 26- C 27 1.55 1.18 0.038 54. BD ( 1) C 25- C 26 104. BD*( 1) C 26- H 33 0.99 1.09 0.029 54. BD ( 1) C 25- C 26 106. BD*( 1) C 27- H 32 1.95 1.09 0.041 54. BD ( 1) C 25- C 26 251. RY ( 1) C 24 1.14 1.79 0.040 54. BD ( 1) C 25- C 26 252. RY ( 2) C 24 1.01 2.04 0.040 54. BD ( 1) C 25- C 26 281. RY ( 1) C 27 0.83 1.89 0.035 54. BD ( 1) C 25- C 26 282. RY ( 2) C 27 0.94 1.29 0.031 54. BD ( 1) C 25- C 26 315. RY ( 1) H 34 0.77 1.40 0.029 55. BD ( 1) C 25- H 34 96. BD*( 1) C 18- H 19 8.11 1.07 0.083 55. BD ( 1) C 25- H 34 99. BD*( 1) C 24- C 29 2.16 1.01 0.042 55. BD ( 1) C 25- H 34 100. BD*( 1) C 25- C 26 0.60 1.09 0.023 55. BD ( 1) C 25- H 34 102. BD*( 1) C 26- C 27 4.45 1.08 0.062 55. BD ( 1) C 25- H 34 246. RY ( 1) H 19 1.89 1.30 0.044 55. BD ( 1) C 25- H 34 252. RY ( 2) C 24 1.35 1.94 0.046 55. BD ( 1) C 25- H 34 271. RY ( 1) C 26 1.40 1.75 0.044 56. BD ( 1) C 26- C 27 100. BD*( 1) C 25- C 26 1.31 1.18 0.035 56. BD ( 1) C 26- C 27 101. BD*( 1) C 25- H 34 1.17 1.16 0.033 56. BD ( 1) C 26- C 27 104. BD*( 1) C 26- H 33 1.07 1.09 0.030 56. BD ( 1) C 26- C 27 105. BD*( 1) C 27- C 28 1.32 1.18 0.035 56. BD ( 1) C 26- C 27 106. BD*( 1) C 27- H 32 1.00 1.08 0.029 56. BD ( 1) C 26- C 27 109. BD*( 1) C 28- H 31 2.31 1.09 0.045 56. BD ( 1) C 26- C 27 261. RY ( 1) C 25 1.28 1.93 0.044 56. BD ( 1) C 26- C 27 262. RY ( 2) C 25 0.96 1.64 0.035 56. BD ( 1) C 26- C 27 291. RY ( 1) C 28 1.07 1.85 0.040 56. BD ( 1) C 26- C 27 292. RY ( 2) C 28 0.92 1.35 0.031 57. BD ( 2) C 26- C 27 98. BD*( 2) C 24- C 25 30.48 0.25 0.078 57. BD ( 2) C 26- C 27 103. BD*( 2) C 26- C 27 0.62 0.28 0.012 57. BD ( 2) C 26- C 27 108. BD*( 2) C 28- C 29 18.19 0.28 0.064 57. BD ( 2) C 26- C 27 264. RY ( 4) C 25 2.17 1.28 0.047 57. BD ( 2) C 26- C 27 274. RY ( 4) C 26 0.90 1.07 0.028 57. BD ( 2) C 26- C 27 293. RY ( 3) C 28 0.58 2.18 0.032 57. BD ( 2) C 26- C 27 294. RY ( 4) C 28 1.14 0.97 0.030 58. BD ( 1) C 26- H 33 97. BD*( 1) C 24- C 25 4.64 0.99 0.061 58. BD ( 1) C 26- H 33 100. BD*( 1) C 25- C 26 0.72 1.07 0.025 58. BD ( 1) C 26- H 33 105. BD*( 1) C 27- C 28 2.69 1.07 0.048 58. BD ( 1) C 26- H 33 261. RY ( 1) C 25 0.90 1.82 0.036 58. BD ( 1) C 26- H 33 281. RY ( 1) C 27 0.94 1.77 0.036 59. BD ( 1) C 27- C 28 102. BD*( 1) C 26- C 27 1.32 1.18 0.035 59. BD ( 1) C 27- C 28 104. BD*( 1) C 26- H 33 2.31 1.09 0.045 59. BD ( 1) C 27- C 28 106. BD*( 1) C 27- H 32 1.00 1.08 0.029 59. BD ( 1) C 27- C 28 107. BD*( 1) C 28- C 29 1.31 1.18 0.035 59. BD ( 1) C 27- C 28 109. BD*( 1) C 28- H 31 1.07 1.09 0.030 59. BD ( 1) C 27- C 28 110. BD*( 1) C 29- H 30 1.17 1.16 0.033 59. BD ( 1) C 27- C 28 271. RY ( 1) C 26 1.07 1.85 0.040 59. BD ( 1) C 27- C 28 272. RY ( 2) C 26 0.92 1.35 0.031 59. BD ( 1) C 27- C 28 301. RY ( 1) C 29 1.28 1.93 0.044 59. BD ( 1) C 27- C 28 302. RY ( 2) C 29 0.96 1.64 0.035 60. BD ( 1) C 27- H 32 100. BD*( 1) C 25- C 26 3.08 1.08 0.051 60. BD ( 1) C 27- H 32 107. BD*( 1) C 28- C 29 3.08 1.08 0.051 60. BD ( 1) C 27- H 32 271. RY ( 1) C 26 0.92 1.74 0.036 60. BD ( 1) C 27- H 32 291. RY ( 1) C 28 0.92 1.74 0.036 61. BD ( 1) C 28- C 29 68. BD*( 1) C 1- C 24 2.85 0.97 0.047 61. BD ( 1) C 28- C 29 99. BD*( 1) C 24- C 29 1.86 1.11 0.041 61. BD ( 1) C 28- C 29 105. BD*( 1) C 27- C 28 1.55 1.18 0.038 61. BD ( 1) C 28- C 29 106. BD*( 1) C 27- H 32 1.95 1.09 0.041 61. BD ( 1) C 28- C 29 109. BD*( 1) C 28- H 31 0.99 1.09 0.029 61. BD ( 1) C 28- C 29 110. BD*( 1) C 29- H 30 1.43 1.17 0.036 61. BD ( 1) C 28- C 29 251. RY ( 1) C 24 1.14 1.79 0.040 61. BD ( 1) C 28- C 29 252. RY ( 2) C 24 1.01 2.04 0.040 61. BD ( 1) C 28- C 29 281. RY ( 1) C 27 0.83 1.89 0.035 61. BD ( 1) C 28- C 29 282. RY ( 2) C 27 0.94 1.29 0.031 61. BD ( 1) C 28- C 29 311. RY ( 1) H 30 0.77 1.40 0.029 62. BD ( 2) C 28- C 29 98. BD*( 2) C 24- C 25 14.62 0.26 0.055 62. BD ( 2) C 28- C 29 103. BD*( 2) C 26- C 27 21.74 0.29 0.071 62. BD ( 2) C 28- C 29 254. RY ( 4) C 24 0.61 0.97 0.022 62. BD ( 2) C 28- C 29 284. RY ( 4) C 27 1.73 0.97 0.037 63. BD ( 1) C 28- H 31 99. BD*( 1) C 24- C 29 4.64 0.99 0.061 63. BD ( 1) C 28- H 31 102. BD*( 1) C 26- C 27 2.69 1.07 0.048 63. BD ( 1) C 28- H 31 107. BD*( 1) C 28- C 29 0.72 1.07 0.025 63. BD ( 1) C 28- H 31 281. RY ( 1) C 27 0.94 1.77 0.036 63. BD ( 1) C 28- H 31 301. RY ( 1) C 29 0.90 1.82 0.036 64. BD ( 1) C 29- H 30 82. BD*( 1) C 7- H 8 8.11 1.07 0.083 64. BD ( 1) C 29- H 30 97. BD*( 1) C 24- C 25 2.16 1.01 0.042 64. BD ( 1) C 29- H 30 105. BD*( 1) C 27- C 28 4.45 1.08 0.062 64. BD ( 1) C 29- H 30 107. BD*( 1) C 28- C 29 0.60 1.09 0.023 64. BD ( 1) C 29- H 30 181. RY ( 1) H 8 1.89 1.30 0.044 64. BD ( 1) C 29- H 30 252. RY ( 2) C 24 1.35 1.94 0.046 64. BD ( 1) C 29- H 30 291. RY ( 1) C 28 1.40 1.75 0.044 NATURAL BOND ORBITALS (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) =============================================================================== Molecular unit 1 (C19H15) ------ Lewis -------------------------------------- 1. CR ( 1) C 1 2.00000 -10.44029 2. CR ( 1) C 2 2.00000 -10.37197 3. CR ( 1) C 3 2.00000 -10.33602 4. CR ( 1) C 4 2.00000 -10.32402 5. CR ( 1) C 5 2.00000 -10.33508 6. CR ( 1) C 6 2.00000 -10.32402 7. CR ( 1) C 7 2.00000 -10.33602 8. CR ( 1) C 13 2.00000 -10.37197 9. CR ( 1) C 14 2.00000 -10.33602 10. CR ( 1) C 15 2.00000 -10.32402 11. CR ( 1) C 16 2.00000 -10.33508 12. CR ( 1) C 17 2.00000 -10.32402 13. CR ( 1) C 18 2.00000 -10.33602 14. CR ( 1) C 24 2.00000 -10.37197 15. CR ( 1) C 25 2.00000 -10.33602 16. CR ( 1) C 26 2.00000 -10.32402 17. CR ( 1) C 27 2.00000 -10.33508 18. CR ( 1) C 28 2.00000 -10.32402 19. CR ( 1) C 29 2.00000 -10.33602 20. BD ( 1) C 1- C 2 1.98299 -0.71691 85(v),97(v),186(v),251(v) 72(v),80(v),69(g),70(g) 131(v),171(v) 21. BD ( 1) C 1- C 13 1.98299 -0.71691 70(v),99(v),121(v),251(v) 86(v),93(v),83(g),85(g) 196(v),236(v) 22. BD ( 1) C 1- C 24 1.98299 -0.71691 69(v),83(v),121(v),186(v) 100(v),107(v),97(g),99(g) 261(v),301(v) 23. BD ( 1) C 2- C 3 1.97819 -0.71833 82(v),70(g),72(g),74(g) 68(v),66(g),111(v),76(v) 142(v),141(v),171(v) 24. BD ( 1) C 2- C 7 1.97819 -0.71833 74(v),69(g),80(g),82(g) 111(v),67(v),66(g),81(v) 162(v),161(v),131(v) 25. BD ( 2) C 2- C 7 1.56399 -0.38096 65(v),73(v),78(v),164(v) 133(v),113(v),174(g) 26. BD ( 1) C 3- C 4 1.97933 -0.72300 66(v),79(v),69(g),75(g) 74(g),121(v),122(v),76(g) 152(v),151(v),185(v) 27. BD ( 2) C 3- C 4 1.66481 -0.38239 78(v),71(v),154(v),124(v) 28. BD ( 1) C 3- H 12 1.96888 -0.62660 87(r),75(v),70(v),250(r) 141(v),122(v),72(g) 29. BD ( 1) C 4- C 5 1.98265 -0.72117 81(v),77(g),72(g),131(v) 74(v),161(v),76(g),79(g) 132(v),162(v) 30. BD ( 1) C 4- H 11 1.98130 -0.60950 69(v),77(v),151(v),131(v) 72(g) 31. BD ( 1) C 5- C 6 1.98265 -0.72117 76(v),75(g),80(g),171(v) 82(v),141(v),81(g),79(g) 172(v),142(v) 32. BD ( 2) C 5- C 6 1.56005 -0.37326 71(v),73(v),174(v),144(v) 164(g),78(g),143(v) 33. BD ( 1) C 5- H 10 1.98394 -0.61778 72(v),80(v),141(v),161(v) 34. BD ( 1) C 6- C 7 1.97933 -0.72300 66(v),79(v),70(g),77(g) 82(g),121(v),122(v),81(g) 152(v),151(v),181(v) 35. BD ( 1) C 6- H 9 1.98130 -0.60950 70(v),75(v),151(v),171(v) 80(g) 36. BD ( 1) C 7- H 8 1.96888 -0.62660 110(r),77(v),69(v),311(r) 161(v),122(v),80(g) 37. BD ( 1) C 13- C 14 1.97819 -0.71833 96(v),85(g),86(g),87(g) 68(v),67(g),90(v),112(v) 207(v),206(v),236(v) 38. BD ( 2) C 13- C 14 1.56399 -0.38096 65(v),94(v),89(v),209(v) 238(v),199(g) 39. BD ( 1) C 13- C 18 1.97819 -0.71833 87(v),83(g),93(g),96(g) 66(v),67(g),95(v),111(v) 227(v),226(v),196(v) 40. BD ( 1) C 14- C 15 1.97933 -0.72300 67(v),92(v),83(g),88(g) 87(g),186(v),187(v),90(g) 217(v),216(v),250(v) 41. BD ( 1) C 14- H 23 1.96888 -0.62660 74(r),88(v),85(v),185(r) 206(v),187(v),86(g) 42. BD ( 1) C 15- C 16 1.98265 -0.72117 95(v),91(g),86(g),196(v) 87(v),226(v),90(g),92(g) 197(v),227(v) 43. BD ( 2) C 15- C 16 1.56005 -0.37326 84(v),94(v),199(v),229(v) 209(g),89(g),228(v) 44. BD ( 1) C 15- H 22 1.98130 -0.60950 83(v),91(v),216(v),196(v) 86(g) 45. BD ( 1) C 16- C 17 1.98265 -0.72117 90(v),88(g),93(g),236(v) 96(v),206(v),95(g),92(g) 237(v),207(v) 46. BD ( 1) C 16- H 21 1.98394 -0.61778 86(v),93(v),206(v),226(v) 47. BD ( 1) C 17- C 18 1.97933 -0.72300 67(v),92(v),85(g),91(g) 96(g),186(v),187(v),95(g) 217(v),216(v),246(v) 48. BD ( 2) C 17- C 18 1.66481 -0.38239 89(v),84(v),219(v),189(v) 49. BD ( 1) C 17- H 20 1.98130 -0.60950 85(v),88(v),216(v),236(v) 93(g) 50. BD ( 1) C 18- H 19 1.96888 -0.62660 101(r),91(v),83(v),315(r) 226(v),187(v),93(g) 51. BD ( 1) C 24- C 25 1.97819 -0.71833 110(v),99(g),100(g),101(g) 66(v),112(v),68(g),104(v) 272(v),271(v),301(v) 52. BD ( 2) C 24- C 25 1.56399 -0.38096 65(v),108(v),103(v),274(v) 303(v),264(g) 53. BD ( 1) C 24- C 29 1.97819 -0.71833 101(v),97(g),107(g),110(g) 112(v),67(v),68(g),109(v) 292(v),291(v),261(v) 54. BD ( 1) C 25- C 26 1.97933 -0.72300 68(v),106(v),97(g),102(g) 101(g),251(v),252(v),104(g) 282(v),281(v),315(v) 55. BD ( 1) C 25- H 34 1.96888 -0.62660 96(r),102(v),99(v),246(r) 271(v),252(v),100(g) 56. BD ( 1) C 26- C 27 1.98265 -0.72117 109(v),105(g),100(g),261(v) 101(v),291(v),104(g),106(g) 262(v),292(v) 57. BD ( 2) C 26- C 27 1.56005 -0.37326 98(v),108(v),264(v),294(v) 274(g),103(g),293(v) 58. BD ( 1) C 26- H 33 1.98130 -0.60950 97(v),105(v),281(v),261(v) 100(g) 59. BD ( 1) C 27- C 28 1.98265 -0.72117 104(v),102(g),107(g),301(v) 110(v),271(v),109(g),106(g) 302(v),272(v) 60. BD ( 1) C 27- H 32 1.98394 -0.61778 100(v),107(v),271(v),291(v) 61. BD ( 1) C 28- C 29 1.97933 -0.72300 68(v),106(v),99(g),105(g) 110(g),251(v),252(v),109(g) 282(v),281(v),311(v) 62. BD ( 2) C 28- C 29 1.66481 -0.38239 103(v),98(v),284(v),254(v) 63. BD ( 1) C 28- H 31 1.98130 -0.60950 99(v),102(v),281(v),301(v) 107(g) 64. BD ( 1) C 29- H 30 1.96888 -0.62660 82(r),105(v),97(v),181(r) 291(v),252(v),107(g) ------ non-Lewis ---------------------------------- 65. LV ( 1) C 1 0.73519 -0.27802 66. BD*( 1) C 1- C 2 0.01970 0.25139 67. BD*( 1) C 1- C 13 0.01970 0.25139 68. BD*( 1) C 1- C 24 0.01970 0.25139 69. BD*( 1) C 2- C 3 0.01975 0.38260 70. BD*( 1) C 2- C 7 0.01975 0.38260 71. BD*( 2) C 2- C 7 0.41786 -0.12109 72. BD*( 1) C 3- C 4 0.01291 0.46254 73. BD*( 2) C 3- C 4 0.25069 -0.09452 74. BD*( 1) C 3- H 12 0.02288 0.44201 75. BD*( 1) C 4- C 5 0.01550 0.45692 76. BD*( 1) C 4- H 11 0.01184 0.36399 77. BD*( 1) C 5- C 6 0.01550 0.45692 78. BD*( 2) C 5- C 6 0.29091 -0.09120 79. BD*( 1) C 5- H 10 0.01206 0.36377 80. BD*( 1) C 6- C 7 0.01291 0.46254 81. BD*( 1) C 6- H 9 0.01184 0.36399 82. BD*( 1) C 7- H 8 0.02288 0.44201 83. BD*( 1) C 13- C 14 0.01975 0.38260 84. BD*( 2) C 13- C 14 0.41786 -0.12109 85. BD*( 1) C 13- C 18 0.01975 0.38260 86. BD*( 1) C 14- C 15 0.01291 0.46254 87. BD*( 1) C 14- H 23 0.02288 0.44201 88. BD*( 1) C 15- C 16 0.01550 0.45692 89. BD*( 2) C 15- C 16 0.29091 -0.09120 90. BD*( 1) C 15- H 22 0.01184 0.36399 91. BD*( 1) C 16- C 17 0.01550 0.45692 92. BD*( 1) C 16- H 21 0.01206 0.36377 93. BD*( 1) C 17- C 18 0.01291 0.46254 94. BD*( 2) C 17- C 18 0.25069 -0.09452 95. BD*( 1) C 17- H 20 0.01184 0.36399 96. BD*( 1) C 18- H 19 0.02288 0.44201 97. BD*( 1) C 24- C 25 0.01975 0.38260 98. BD*( 2) C 24- C 25 0.41786 -0.12109 99. BD*( 1) C 24- C 29 0.01975 0.38260 100. BD*( 1) C 25- C 26 0.01291 0.46254 101. BD*( 1) C 25- H 34 0.02288 0.44201 102. BD*( 1) C 26- C 27 0.01550 0.45692 103. BD*( 2) C 26- C 27 0.29091 -0.09120 104. BD*( 1) C 26- H 33 0.01184 0.36399 105. BD*( 1) C 27- C 28 0.01550 0.45692 106. BD*( 1) C 27- H 32 0.01206 0.36377 107. BD*( 1) C 28- C 29 0.01291 0.46254 108. BD*( 2) C 28- C 29 0.25069 -0.09452 109. BD*( 1) C 28- H 31 0.01184 0.36399 110. BD*( 1) C 29- H 30 0.02288 0.44201 111. RY ( 1) C 1 0.00432 1.21586 112. RY ( 2) C 1 0.00432 1.21586 113. RY ( 3) C 1 0.00059 1.69304 114. RY ( 4) C 1 0.00059 1.69304 115. RY ( 5) C 1 0.00016 0.54150 116. RY ( 6) C 1 0.00009 1.01746 117. RY ( 7) C 1 0.00003 2.13249 118. RY ( 8) C 1 0.00003 2.13249 119. RY ( 9) C 1 0.00002 3.22092 120. RY (10) C 1 0.00000 2.92134 121. RY ( 1) C 2 0.00543 1.06383 122. RY ( 2) C 2 0.00403 1.31222 123. RY ( 3) C 2 0.00061 1.74242 124. RY ( 4) C 2 0.00038 0.58465 125. RY ( 5) C 2 0.00028 1.72421 126. RY ( 6) C 2 0.00018 0.95465 127. RY ( 7) C 2 0.00005 4.02891 128. RY ( 8) C 2 0.00005 2.32510 129. RY ( 9) C 2 0.00003 2.09405 130. RY (10) C 2 0.00000 2.21728 131. RY ( 1) C 3 0.00448 1.20923 132. RY ( 2) C 3 0.00175 0.91586 133. RY ( 3) C 3 0.00073 1.58018 134. RY ( 4) C 3 0.00035 0.84033 135. RY ( 5) C 3 0.00031 1.01624 136. RY ( 6) C 3 0.00012 2.19452 137. RY ( 7) C 3 0.00004 3.02789 138. RY ( 8) C 3 0.00002 3.07831 139. RY ( 9) C 3 0.00001 1.50999 140. RY (10) C 3 0.00000 2.15439 141. RY ( 1) C 4 0.00514 1.12561 142. RY ( 2) C 4 0.00243 0.62618 143. RY ( 3) C 4 0.00048 1.81005 144. RY ( 4) C 4 0.00035 0.59538 145. RY ( 5) C 4 0.00023 1.07815 146. RY ( 6) C 4 0.00014 2.08975 147. RY ( 7) C 4 0.00005 4.00465 148. RY ( 8) C 4 0.00001 2.06872 149. RY ( 9) C 4 0.00000 1.57519 150. RY (10) C 4 0.00000 2.24659 151. RY ( 1) C 5 0.00444 1.16320 152. RY ( 2) C 5 0.00235 0.57014 153. RY ( 3) C 5 0.00063 1.79451 154. RY ( 4) C 5 0.00030 0.58816 155. RY ( 5) C 5 0.00011 2.23735 156. RY ( 6) C 5 0.00007 1.15844 157. RY ( 7) C 5 0.00004 3.77425 158. RY ( 8) C 5 0.00000 2.03122 159. RY ( 9) C 5 0.00000 1.57974 160. RY (10) C 5 0.00000 2.19340 161. RY ( 1) C 6 0.00514 1.12561 162. RY ( 2) C 6 0.00243 0.62618 163. RY ( 3) C 6 0.00050 1.71217 164. RY ( 4) C 6 0.00034 0.69340 165. RY ( 5) C 6 0.00023 1.07817 166. RY ( 6) C 6 0.00014 2.08974 167. RY ( 7) C 6 0.00005 4.00465 168. RY ( 8) C 6 0.00001 2.06872 169. RY ( 9) C 6 0.00000 1.57501 170. RY (10) C 6 0.00000 2.24659 171. RY ( 1) C 7 0.00448 1.20923 172. RY ( 2) C 7 0.00175 0.91586 173. RY ( 3) C 7 0.00088 1.50820 174. RY ( 4) C 7 0.00033 0.91114 175. RY ( 5) C 7 0.00031 1.01624 176. RY ( 6) C 7 0.00012 2.19452 177. RY ( 7) C 7 0.00004 3.02791 178. RY ( 8) C 7 0.00002 3.07830 179. RY ( 9) C 7 0.00001 1.51062 180. RY (10) C 7 0.00000 2.15439 181. RY ( 1) H 8 0.00179 0.67590 182. RY ( 1) H 9 0.00073 0.45968 183. RY ( 1) H 10 0.00064 0.45042 184. RY ( 1) H 11 0.00073 0.45968 185. RY ( 1) H 12 0.00179 0.67590 186. RY ( 1) C 13 0.00543 1.06383 187. RY ( 2) C 13 0.00403 1.31222 188. RY ( 3) C 13 0.00061 1.74242 189. RY ( 4) C 13 0.00038 0.58465 190. RY ( 5) C 13 0.00028 1.72421 191. RY ( 6) C 13 0.00018 0.95465 192. RY ( 7) C 13 0.00005 4.02891 193. RY ( 8) C 13 0.00005 2.32510 194. RY ( 9) C 13 0.00003 2.09405 195. RY (10) C 13 0.00000 2.21728 196. RY ( 1) C 14 0.00448 1.20923 197. RY ( 2) C 14 0.00175 0.91586 198. RY ( 3) C 14 0.00088 1.50820 199. RY ( 4) C 14 0.00033 0.91114 200. RY ( 5) C 14 0.00031 1.01624 201. RY ( 6) C 14 0.00012 2.19452 202. RY ( 7) C 14 0.00004 3.02791 203. RY ( 8) C 14 0.00002 3.07830 204. RY ( 9) C 14 0.00001 1.51062 205. RY (10) C 14 0.00000 2.15439 206. RY ( 1) C 15 0.00514 1.12561 207. RY ( 2) C 15 0.00243 0.62618 208. RY ( 3) C 15 0.00050 1.71217 209. RY ( 4) C 15 0.00034 0.69340 210. RY ( 5) C 15 0.00023 1.07817 211. RY ( 6) C 15 0.00014 2.08974 212. RY ( 7) C 15 0.00005 4.00465 213. RY ( 8) C 15 0.00001 2.06872 214. RY ( 9) C 15 0.00000 1.57501 215. RY (10) C 15 0.00000 2.24659 216. RY ( 1) C 16 0.00444 1.16320 217. RY ( 2) C 16 0.00235 0.57014 218. RY ( 3) C 16 0.00063 1.79451 219. RY ( 4) C 16 0.00030 0.58816 220. RY ( 5) C 16 0.00011 2.23735 221. RY ( 6) C 16 0.00007 1.15844 222. RY ( 7) C 16 0.00004 3.77425 223. RY ( 8) C 16 0.00000 2.03122 224. RY ( 9) C 16 0.00000 1.57974 225. RY (10) C 16 0.00000 2.19340 226. RY ( 1) C 17 0.00514 1.12561 227. RY ( 2) C 17 0.00243 0.62618 228. RY ( 3) C 17 0.00048 1.81005 229. RY ( 4) C 17 0.00035 0.59538 230. RY ( 5) C 17 0.00023 1.07815 231. RY ( 6) C 17 0.00014 2.08975 232. RY ( 7) C 17 0.00005 4.00465 233. RY ( 8) C 17 0.00001 2.06872 234. RY ( 9) C 17 0.00000 1.57519 235. RY (10) C 17 0.00000 2.24659 236. RY ( 1) C 18 0.00448 1.20923 237. RY ( 2) C 18 0.00175 0.91586 238. RY ( 3) C 18 0.00073 1.58018 239. RY ( 4) C 18 0.00035 0.84033 240. RY ( 5) C 18 0.00031 1.01624 241. RY ( 6) C 18 0.00012 2.19452 242. RY ( 7) C 18 0.00004 3.02789 243. RY ( 8) C 18 0.00002 3.07831 244. RY ( 9) C 18 0.00001 1.50999 245. RY (10) C 18 0.00000 2.15439 246. RY ( 1) H 19 0.00179 0.67590 247. RY ( 1) H 20 0.00073 0.45968 248. RY ( 1) H 21 0.00064 0.45042 249. RY ( 1) H 22 0.00073 0.45968 250. RY ( 1) H 23 0.00179 0.67590 251. RY ( 1) C 24 0.00543 1.06383 252. RY ( 2) C 24 0.00403 1.31222 253. RY ( 3) C 24 0.00061 1.74242 254. RY ( 4) C 24 0.00038 0.58465 255. RY ( 5) C 24 0.00028 1.72421 256. RY ( 6) C 24 0.00018 0.95465 257. RY ( 7) C 24 0.00005 4.02891 258. RY ( 8) C 24 0.00005 2.32510 259. RY ( 9) C 24 0.00003 2.09405 260. RY (10) C 24 0.00000 2.21728 261. RY ( 1) C 25 0.00448 1.20923 262. RY ( 2) C 25 0.00175 0.91586 263. RY ( 3) C 25 0.00088 1.50820 264. RY ( 4) C 25 0.00033 0.91114 265. RY ( 5) C 25 0.00031 1.01624 266. RY ( 6) C 25 0.00012 2.19452 267. RY ( 7) C 25 0.00004 3.02791 268. RY ( 8) C 25 0.00002 3.07830 269. RY ( 9) C 25 0.00001 1.51062 270. RY (10) C 25 0.00000 2.15439 271. RY ( 1) C 26 0.00514 1.12561 272. RY ( 2) C 26 0.00243 0.62618 273. RY ( 3) C 26 0.00050 1.71217 274. RY ( 4) C 26 0.00034 0.69340 275. RY ( 5) C 26 0.00023 1.07817 276. RY ( 6) C 26 0.00014 2.08974 277. RY ( 7) C 26 0.00005 4.00465 278. RY ( 8) C 26 0.00001 2.06872 279. RY ( 9) C 26 0.00000 1.57501 280. RY (10) C 26 0.00000 2.24659 281. RY ( 1) C 27 0.00444 1.16320 282. RY ( 2) C 27 0.00235 0.57014 283. RY ( 3) C 27 0.00063 1.79451 284. RY ( 4) C 27 0.00030 0.58816 285. RY ( 5) C 27 0.00011 2.23735 286. RY ( 6) C 27 0.00007 1.15844 287. RY ( 7) C 27 0.00004 3.77425 288. RY ( 8) C 27 0.00000 2.03122 289. RY ( 9) C 27 0.00000 1.57974 290. RY (10) C 27 0.00000 2.19340 291. RY ( 1) C 28 0.00514 1.12561 292. RY ( 2) C 28 0.00243 0.62618 293. RY ( 3) C 28 0.00048 1.81005 294. RY ( 4) C 28 0.00035 0.59538 295. RY ( 5) C 28 0.00023 1.07815 296. RY ( 6) C 28 0.00014 2.08975 297. RY ( 7) C 28 0.00005 4.00465 298. RY ( 8) C 28 0.00001 2.06872 299. RY ( 9) C 28 0.00000 1.57519 300. RY (10) C 28 0.00000 2.24659 301. RY ( 1) C 29 0.00448 1.20923 302. RY ( 2) C 29 0.00175 0.91586 303. RY ( 3) C 29 0.00073 1.58018 304. RY ( 4) C 29 0.00035 0.84033 305. RY ( 5) C 29 0.00031 1.01624 306. RY ( 6) C 29 0.00012 2.19452 307. RY ( 7) C 29 0.00004 3.02789 308. RY ( 8) C 29 0.00002 3.07831 309. RY ( 9) C 29 0.00001 1.50999 310. RY (10) C 29 0.00000 2.15439 311. RY ( 1) H 30 0.00179 0.67590 312. RY ( 1) H 31 0.00073 0.45968 313. RY ( 1) H 32 0.00064 0.45042 314. RY ( 1) H 33 0.00073 0.45968 315. RY ( 1) H 34 0.00179 0.67590 ------------------------------- Total Lewis 123.60944 ( 96.5699%) Valence non-Lewis 4.20608 ( 3.2860%) Rydberg non-Lewis 0.18448 ( 0.1441%) ------------------------------- Total unit 1 128.00000 (100.0000%) Charge unit 1 1.00000 $CHOOSE BOND S 1 2 S 1 13 S 1 24 S 2 3 D 2 7 D 3 4 S 3 12 S 4 5 S 4 11 D 5 6 S 5 10 S 6 7 S 6 9 S 7 8 D 13 14 S 13 18 S 14 15 S 14 23 D 15 16 S 15 22 S 16 17 S 16 21 D 17 18 S 17 20 S 18 19 D 24 25 S 24 29 S 25 26 S 25 34 D 26 27 S 26 33 S 27 28 S 27 32 D 28 29 S 28 31 S 29 30 END $END NATURAL RESONANCE THEORY ANALYSIS: Parent structure threshold: 50% of leading weight Delocalization list threshold: 1 kcal/mol Maximum search cycles: 3 D3h symmetry, 12 symmetry operator(s), 6 unique atom permutation(s) 68 initial TOPO matrices: NLS = 1; NBI = 67; SYM = 0 cycle structures D(w) kmax CHOOSE ION E2 SYM dbmax dbrms ------------------------------------------------------------------------------ 1 68/68 0.07726881 68 68 0 8238 0 1.547 1.270 This calculation has attempted to allocate 1099.89 MB of dynamic memory, but NBO is currently configured with only 1024.00 MB. Use the MEMORY keyword to allocate additional memory. NBO analysis completed in 3984.92 CPU seconds (4075 wall seconds) Maximum scratch memory used by NBO was 101433009 words (773.87 MB) Maximum scratch memory used by G16NBO was 159759 words (1.22 MB) Opening RunExU unformatted file "/scratch/webmo-13362/473906/Gau-12722.EUF" Read unf file /scratch/webmo-13362/473906/Gau-12722.EUF: Label Gaussian matrix elements IVers= 2 NLab= 2 Version=ES64L-G16RevC.01 Title C19H15(+1) planar trityl D3d NAtoms= 34 NBasis= 315 NBsUse= 315 ICharg= 1 Multip= 1 NE= 128 Len12L=8 Len4L=8 IOpCl= 0 ICGU=111 GAUSSIAN SCALARS NI= 1 NR= 1 NTot= 1 LenBuf= 2 NRI=1 N= 1000 Recovered energy= -732.700463336 dipole= 0.000000000000 -0.000000000000 -0.000000000000 Unable to Open any file for archive entry. 1\1\GINC-COMPUTE-0-3\SP\RB3LYP\6-31G(d)\C19H15(1+)\BESSELMAN\10-Apr-20 20\0\\#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivi ty\\C19H15(+1) planar trityl D3d\\1,1\C\C,1,1.53745\C,2,1.43825677,1,1 25.7863793\C,3,1.387771969,2,126.2869804,1,180.,0\C,4,1.389108503,3,12 1.4361268,2,0.,0\C,5,1.389108503,4,116.1265442,3,0.,0\C,6,1.387771969, 5,121.4361268,4,0.,0\H,7,1.056955515,6,110.1357732,5,180.,0\H,6,1.0854 45715,5,120.6288352,4,180.,0\H,5,1.085356,4,121.9367279,3,180.,0\H,4,1 .085445715,3,117.935038,2,180.,0\H,3,1.056955515,2,123.5772465,7,180., 0\C,1,1.53745021,2,119.9999955,3,0.,0\C,13,1.438255922,1,125.7863872,2 ,0.,0\C,14,1.387772514,13,126.2869938,1,180.,0\C,15,1.389107515,14,121 .4361145,13,0.,0\C,16,1.38910843,15,116.1265489,14,0.,0\C,17,1.3877724 5,16,121.436139,15,0.,0\H,18,1.056955392,17,110.135731,16,180.,0\H,17, 1.085445977,16,120.6288194,15,180.,0\H,16,1.085356114,15,121.936722,14 ,180.,0\H,15,1.085445299,14,117.9350167,13,180.,0\H,14,1.056956358,13, 123.5772771,18,180.,0\C,1,1.53745021,2,119.9999955,3,180.,0\C,24,1.438 256271,1,125.7863472,2,180.,0\C,25,1.38777245,24,126.2869383,1,180.,0\ C,26,1.38910843,25,121.436139,24,0.,0\C,27,1.389107515,26,116.1265489, 25,0.,0\C,28,1.387772514,27,121.4361145,26,0.,0\H,29,1.056956358,28,11 0.1357292,27,180.,0\H,28,1.085445299,27,120.6288689,26,180.,0\H,27,1.0 85356114,26,121.9367291,25,180.,0\H,26,1.085445977,25,117.9350416,24,1 80.,0\H,25,1.056955392,24,123.5773306,29,180.,0\\Version=ES64L-G16RevC .01\State=1-A'\HF=-732.7004633\RMSD=7.874e-09\Dipole=0.,0.,0.\Quadrupo le=14.802751,-29.6055021,14.802751,0.,0.,0.\PG=C03H [O(C1),SGH(C18H15) ]\\@ The archive entry for this job was punched. TIME GOES, YOU SAY? AH NO! ALAS, TIME STAYS, WE GO. -- A. DOBSON (1840-1921) Job cpu time: 0 days 12 hours 30 minutes 22.1 seconds. Elapsed time: 0 days 1 hours 8 minutes 12.9 seconds. File lengths (MBytes): RWF= 60 Int= 0 D2E= 0 Chk= 6 Scr= 1 Normal termination of Gaussian 16 at Fri Apr 10 12:18:03 2020.