Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16 Initial command: /share/apps/gaussian/g16/l1.exe "/scratch/webmo-13362/513792/Gau-19026.inp" -scrdir="/scratch/webmo-13362/513792/" Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID= 19027. 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 23-Aug-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; ---------------- Geranial C10H16O ---------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C C 1 B1 C 2 B2 1 A1 H 3 B3 2 A2 1 D1 0 H 3 B4 2 A3 1 D2 0 H 3 B5 2 A4 1 D3 0 C 2 B6 1 A5 3 D4 0 C 7 B7 2 A6 1 D5 0 C 8 B8 7 A7 2 D6 0 C 9 B9 8 A8 7 D7 0 C 10 B10 9 A9 8 D8 0 H 11 B11 10 A10 9 D9 0 H 11 B12 10 A11 9 D10 0 H 11 B13 10 A12 9 D11 0 C 10 B14 9 A13 8 D12 0 C 15 B15 10 A14 9 D13 0 O 16 B16 15 A15 10 D14 0 H 16 B17 15 A16 10 D15 0 H 15 B18 10 A17 9 D16 0 H 9 B19 8 A18 7 D17 0 H 9 B20 8 A19 7 D18 0 H 8 B21 9 A20 10 D19 0 H 8 B22 9 A21 10 D20 0 H 7 B23 8 A22 9 D21 0 H 1 B24 2 A23 3 D22 0 H 1 B25 2 A24 3 D23 0 H 1 B26 2 A25 3 D24 0 Variables: B1 1.51079 B2 1.50944 B3 1.09241 B4 1.09886 B5 1.09884 B6 1.34224 B7 1.5051 B8 1.55325 B9 1.51148 B10 1.50567 B11 1.08884 B12 1.09905 B13 1.09755 B14 1.35436 B15 1.47127 B16 1.22189 B17 1.11325 B18 1.0896 B19 1.09935 B20 1.09646 B21 1.09978 B22 1.09388 B23 1.09189 B24 1.09449 B25 1.09917 B26 1.09914 A1 114.31758 A2 113.54426 A3 110.6156 A4 110.53295 A5 120.62489 A6 128.6275 A7 111.78321 A8 113.53218 A9 116.335 A10 111.83154 A11 110.0724 A12 110.30419 A13 119.70204 A14 127.72358 A15 127.53512 A16 113.1442 A17 118.2913 A18 108.05211 A19 108.96594 A20 108.05586 A21 109.62618 A22 114.19719 A23 111.97548 A24 111.09163 A25 111.08941 D1 179.43814 D2 -59.2765 D3 58.18759 D4 -179.77239 D5 -179.66386 D6 115.35824 D7 175.64503 D8 65.20557 D9 166.14698 D10 -74.31901 D11 42.996 D12 -114.32992 D13 -179.74547 D14 -3.40498 D15 176.48994 D16 -0.85678 D17 -63.09689 D18 52.6896 D19 55.31332 D20 -60.34728 D21 -63.81815 D22 179.94057 D23 -59.13213 D24 59.05469 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 1.510792 3 6 0 1.375521 0.000000 2.132372 4 1 0 1.360797 0.009821 3.224643 5 1 0 1.944478 -0.884139 1.812864 6 1 0 1.950113 0.874445 1.796768 7 6 0 -1.155020 -0.004588 2.194552 8 6 0 -1.364593 0.001477 3.684974 9 6 0 -2.065613 1.302427 4.163186 10 6 0 -2.389800 1.305584 5.639484 11 6 0 -1.215156 1.291292 6.581321 12 1 0 -1.510226 1.536335 7.600368 13 1 0 -0.758098 0.291950 6.599136 14 1 0 -0.438842 1.984297 6.232484 15 6 0 -3.682758 1.311124 6.042606 16 6 0 -4.195745 1.320059 7.421515 17 8 0 -3.548932 1.266574 8.456787 18 1 0 -5.305758 1.385871 7.475003 19 1 0 -4.461260 1.327515 5.280444 20 1 0 -1.402454 2.149596 3.937149 21 1 0 -2.981096 1.449682 3.578017 22 1 0 -1.999569 -0.851173 3.966583 23 1 0 -0.419515 -0.125001 4.221079 24 1 0 -2.078935 0.000359 1.612667 25 1 0 -1.014968 -0.001053 -0.409569 26 1 0 0.526159 0.880267 -0.395547 27 1 0 0.527343 -0.879548 -0.395498 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.510792 0.000000 3 C 2.537532 1.509444 0.000000 4 H 3.500027 2.188412 1.092414 0.000000 5 H 2.801637 2.157300 1.098862 1.770019 0.000000 6 H 2.792126 2.156241 1.098836 1.770225 1.758667 7 C 2.479950 1.342245 2.531309 2.718572 3.244408 8 C 3.929523 2.566940 3.149413 2.764005 3.903724 9 C 4.826509 3.605311 4.202609 3.780473 5.136722 10 C 6.262545 4.945886 5.308675 4.645152 6.182546 11 C 6.815998 5.371620 5.307748 4.420972 6.119965 12 H 7.899792 6.459415 6.370781 5.451605 7.161626 13 H 6.648950 5.152785 4.958785 3.994561 5.620988 14 H 6.555446 5.140466 4.903087 4.022980 5.782835 15 C 7.196864 5.984906 6.526498 5.922142 7.373988 16 C 8.627034 7.367733 7.794652 7.085593 8.603360 17 O 9.258314 7.902276 8.114966 7.284243 8.885091 18 H 9.270781 8.102069 8.666247 8.025088 9.475162 19 H 7.039050 5.989609 6.763185 6.313397 7.612424 20 H 4.699871 3.531975 3.949067 3.566772 4.991802 21 H 4.877573 3.906652 4.813687 4.588040 5.729203 22 H 4.522892 3.279281 3.934471 3.547371 4.493896 23 H 4.243716 2.745409 2.756896 2.044645 3.458938 24 H 2.631096 2.081430 3.493331 3.798725 4.124350 25 H 1.094490 2.172084 3.489399 4.341874 3.804914 26 H 1.099168 2.164681 2.808320 3.815766 3.162568 27 H 1.099142 2.164634 2.807693 3.819822 2.623958 6 7 8 9 10 6 H 0.000000 7 C 3.251582 0.000000 8 C 3.913396 1.505096 0.000000 9 C 4.680722 2.532388 1.553250 0.000000 10 C 5.812675 3.887002 2.563563 1.511477 0.000000 11 C 5.751924 4.574567 3.174080 2.563353 1.505672 12 H 6.789243 5.632359 4.208006 3.489611 2.161472 13 H 5.544046 4.432363 2.990744 2.943554 2.147286 14 H 5.158920 4.557792 3.358332 2.719066 2.149078 15 C 7.067324 4.788327 3.556332 2.479406 1.354356 16 C 8.343136 6.190464 4.869890 3.892876 2.537180 17 O 8.645756 6.823654 5.398334 4.542744 3.046687 18 H 9.227761 6.858948 5.640359 4.633965 3.446504 19 H 7.310743 4.714706 3.727365 2.643486 2.102460 20 H 4.176954 2.781794 2.163201 1.099349 2.141297 21 H 5.274520 2.713564 2.172975 1.096457 2.149429 22 H 4.825540 2.137771 1.099778 2.163564 2.757259 23 H 3.534305 2.159231 1.093882 2.179573 2.817883 24 H 4.126881 1.091894 2.191972 2.863687 4.244467 25 H 3.798174 2.607887 4.109443 4.869600 6.339440 26 H 2.614178 3.212156 4.582342 5.260946 6.716049 27 H 3.147506 3.210025 4.583217 5.680320 7.050215 11 12 13 14 15 11 C 0.000000 12 H 1.088839 0.000000 13 H 1.099047 1.765406 0.000000 14 H 1.097545 1.794336 1.760795 0.000000 15 C 2.525801 2.682767 3.146757 3.318465 0.000000 16 C 3.096881 2.700144 3.681133 3.996164 1.471267 17 O 2.994076 2.227677 3.491348 3.890412 2.418297 18 H 4.188155 3.800581 4.758678 5.058541 2.165981 19 H 3.497254 3.759554 4.065064 4.185401 1.089598 20 H 2.786290 3.715761 3.309413 2.494881 3.214929 21 H 3.487617 4.283723 3.925459 3.714171 2.566268 22 H 3.470204 4.375391 3.127029 3.950957 3.437809 23 H 2.865253 3.920368 2.437959 2.914663 4.003645 24 H 5.205780 6.207674 5.166672 5.288536 4.890267 25 H 7.112157 8.171165 7.019528 6.956321 7.104187 26 H 7.202625 8.277195 7.135897 6.788292 7.703924 27 H 7.511648 8.597794 7.207612 7.284591 7.998324 16 17 18 19 20 16 C 0.000000 17 O 1.221890 0.000000 18 H 1.113248 2.016078 0.000000 19 H 2.157484 3.305330 2.352163 0.000000 20 H 4.542182 5.080769 5.323107 3.440429 0.000000 21 H 4.032946 4.915116 4.538130 2.259219 1.763793 22 H 4.634004 5.200703 5.314533 3.540175 3.059743 23 H 5.156637 5.447105 6.061858 4.423545 2.494108 24 H 6.321804 7.113801 6.833667 4.570492 3.237292 25 H 8.555031 9.308067 9.083001 6.783676 4.865120 26 H 9.143099 9.752918 9.808794 7.569098 4.909481 27 H 9.394229 9.979219 10.054948 7.872332 5.627758 21 22 23 24 25 21 H 0.000000 22 H 2.531465 0.000000 23 H 3.074874 1.757459 0.000000 24 H 2.603273 2.504461 3.094058 0.000000 25 H 4.676658 4.565397 4.670420 2.285053 0.000000 26 H 5.330505 5.329668 4.818516 3.404949 1.775385 27 H 5.789929 5.041215 4.772700 3.405826 1.775014 26 27 26 H 0.000000 27 H 1.759815 0.000000 Stoichiometry C10H16O Framework group C1[X(C10H16O)] Deg. of freedom 75 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -4.544136 -0.820893 0.149599 2 6 0 -3.266017 -0.051874 -0.090223 3 6 0 -3.427546 1.448504 -0.055664 4 1 0 -2.494309 1.991789 -0.220827 5 1 0 -4.146563 1.777911 -0.818556 6 1 0 -3.836010 1.769971 0.912456 7 6 0 -2.111223 -0.698003 -0.315142 8 6 0 -0.744481 -0.119759 -0.566069 9 6 0 0.252294 -0.483146 0.568380 10 6 0 1.663822 -0.010738 0.305736 11 6 0 1.870954 1.479788 0.255959 12 1 0 2.926077 1.743877 0.306386 13 1 0 1.471808 1.884882 -0.684512 14 1 0 1.316753 1.968626 1.067442 15 6 0 2.652013 -0.918474 0.121957 16 6 0 4.076573 -0.658164 -0.137837 17 8 0 4.619232 0.425693 -0.292079 18 1 0 4.688760 -1.586556 -0.189175 19 1 0 2.399313 -1.976567 0.183644 20 1 0 -0.112808 -0.029602 1.500885 21 1 0 0.242114 -1.569397 0.717286 22 1 0 -0.347468 -0.520743 -1.510052 23 1 0 -0.786735 0.966936 -0.683905 24 1 0 -2.140871 -1.789467 -0.307400 25 1 0 -4.383620 -1.903004 0.115273 26 1 0 -4.978026 -0.571642 1.128263 27 1 0 -5.305791 -0.565997 -0.600750 --------------------------------------------------------------------- Rotational constants (GHZ): 3.3955779 0.3468110 0.3242215 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 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 **** 5 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 **** 6 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 **** 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 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 **** 9 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 **** 10 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 **** 11 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 **** 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 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 **** 14 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 **** 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 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 SP 3 1.00 0.000000000000 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 SP 1 1.00 0.000000000000 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 18 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 **** 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 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 **** 25 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 **** 26 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 **** 27 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 197 symmetry adapted cartesian basis functions of A symmetry. There are 197 symmetry adapted basis functions of A symmetry. 197 basis functions, 372 primitive gaussians, 197 cartesian basis functions 42 alpha electrons 42 beta electrons nuclear repulsion energy 568.6278314647 Hartrees. NAtoms= 27 NActive= 27 NUniq= 27 SFac= 1.00D+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= 197 RedAO= T EigKep= 1.92D-03 NBF= 197 NBsUse= 197 1.00D-06 EigRej= -1.00D+00 NBFU= 197 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+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. 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) = -465.889696415 A.U. after 15 cycles NFock= 15 Conv=0.24D-08 -V/T= 2.0099 ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.13421 -10.26570 -10.22219 -10.19712 -10.19558 Alpha occ. eigenvalues -- -10.19477 -10.18814 -10.18414 -10.18189 -10.18109 Alpha occ. eigenvalues -- -10.18100 -1.02724 -0.83394 -0.81067 -0.75895 Alpha occ. eigenvalues -- -0.71378 -0.69434 -0.68526 -0.63047 -0.59315 Alpha occ. eigenvalues -- -0.52621 -0.50798 -0.48742 -0.47476 -0.45057 Alpha occ. eigenvalues -- -0.44153 -0.43398 -0.42204 -0.41790 -0.41147 Alpha occ. eigenvalues -- -0.38724 -0.38311 -0.37843 -0.37373 -0.37259 Alpha occ. eigenvalues -- -0.36939 -0.35323 -0.34592 -0.32785 -0.26012 Alpha occ. eigenvalues -- -0.24274 -0.23469 Alpha virt. eigenvalues -- -0.05567 0.02478 0.07794 0.08306 0.10008 Alpha virt. eigenvalues -- 0.10333 0.12263 0.13392 0.14117 0.15157 Alpha virt. eigenvalues -- 0.15491 0.16203 0.17117 0.17527 0.18185 Alpha virt. eigenvalues -- 0.18355 0.20016 0.21322 0.22139 0.23294 Alpha virt. eigenvalues -- 0.24268 0.24552 0.25678 0.28318 0.29817 Alpha virt. eigenvalues -- 0.33496 0.37406 0.43093 0.44679 0.49426 Alpha virt. eigenvalues -- 0.50483 0.51310 0.52179 0.53223 0.53882 Alpha virt. eigenvalues -- 0.54708 0.55606 0.57224 0.58416 0.59882 Alpha virt. eigenvalues -- 0.61399 0.63058 0.63473 0.64392 0.68190 Alpha virt. eigenvalues -- 0.69902 0.71053 0.71368 0.72489 0.72804 Alpha virt. eigenvalues -- 0.74104 0.77358 0.78340 0.79960 0.80888 Alpha virt. eigenvalues -- 0.82552 0.82807 0.83876 0.85862 0.87028 Alpha virt. eigenvalues -- 0.87621 0.88314 0.88967 0.89352 0.90132 Alpha virt. eigenvalues -- 0.91205 0.92679 0.94581 0.94952 0.96385 Alpha virt. eigenvalues -- 0.96988 0.98454 0.99731 1.01245 1.02493 Alpha virt. eigenvalues -- 1.05617 1.10744 1.14522 1.17206 1.20504 Alpha virt. eigenvalues -- 1.22078 1.24743 1.31066 1.31829 1.35263 Alpha virt. eigenvalues -- 1.36759 1.40376 1.43257 1.45339 1.46826 Alpha virt. eigenvalues -- 1.48302 1.53411 1.53779 1.60132 1.61975 Alpha virt. eigenvalues -- 1.68266 1.71919 1.75440 1.79947 1.81023 Alpha virt. eigenvalues -- 1.81795 1.84227 1.84581 1.85718 1.87727 Alpha virt. eigenvalues -- 1.90369 1.90566 1.91571 1.94322 1.98548 Alpha virt. eigenvalues -- 2.01437 2.01786 2.02950 2.07052 2.07979 Alpha virt. eigenvalues -- 2.12057 2.13468 2.14668 2.21490 2.22075 Alpha virt. eigenvalues -- 2.26311 2.27385 2.28760 2.31410 2.35047 Alpha virt. eigenvalues -- 2.37193 2.38762 2.40684 2.42101 2.44553 Alpha virt. eigenvalues -- 2.48163 2.49421 2.52854 2.57307 2.59448 Alpha virt. eigenvalues -- 2.64837 2.66452 2.71343 2.79906 2.87708 Alpha virt. eigenvalues -- 2.89043 2.94119 3.05617 3.16345 3.91542 Alpha virt. eigenvalues -- 4.07812 4.10641 4.16163 4.24697 4.28095 Alpha virt. eigenvalues -- 4.30572 4.31701 4.46954 4.55099 4.57107 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.13421 -10.26570 -10.22219 -10.19712 -10.19558 1 1 C 1S 0.00000 -0.00000 -0.00001 0.00002 0.00878 2 2S 0.00000 -0.00000 -0.00001 0.00002 0.00033 3 2PX -0.00000 -0.00000 -0.00002 0.00000 -0.00025 4 2PY -0.00000 -0.00000 0.00001 -0.00001 -0.00007 5 2PZ -0.00000 0.00000 0.00000 -0.00001 0.00005 6 3S -0.00003 -0.00002 -0.00018 -0.00015 0.00284 7 3PX -0.00001 0.00000 -0.00001 0.00003 0.00162 8 3PY -0.00001 0.00001 -0.00010 -0.00012 0.00022 9 3PZ 0.00000 -0.00000 0.00002 0.00009 -0.00031 10 4XX -0.00000 -0.00000 0.00000 0.00001 -0.00043 11 4YY 0.00000 0.00000 -0.00000 -0.00001 -0.00032 12 4ZZ 0.00000 -0.00000 -0.00002 0.00001 -0.00013 13 4XY -0.00000 0.00000 -0.00000 -0.00001 -0.00022 14 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00007 15 4YZ -0.00000 0.00000 0.00000 0.00001 0.00004 16 2 C 1S 0.00000 0.00000 0.00002 0.00046 0.99237 17 2S 0.00000 0.00000 0.00008 0.00009 0.04925 18 2PX 0.00000 0.00000 -0.00001 0.00004 -0.00010 19 2PY 0.00000 0.00000 0.00003 -0.00000 0.00005 20 2PZ -0.00000 0.00000 0.00001 0.00004 0.00001 21 3S 0.00000 0.00002 -0.00088 -0.00108 -0.01687 22 3PX -0.00004 0.00000 -0.00054 -0.00078 -0.00129 23 3PY -0.00000 -0.00009 -0.00054 0.00040 0.00057 24 3PZ 0.00002 -0.00003 0.00006 0.00005 0.00027 25 4XX 0.00000 0.00000 -0.00001 0.00003 -0.00898 26 4YY 0.00000 0.00000 0.00000 0.00003 -0.00910 27 4ZZ 0.00000 0.00000 0.00002 0.00004 -0.00931 28 4XY 0.00000 -0.00000 -0.00000 0.00001 -0.00019 29 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00008 30 4YZ -0.00000 0.00000 0.00000 -0.00001 0.00004 31 3 C 1S 0.00000 -0.00000 -0.00001 0.00001 0.01061 32 2S 0.00000 -0.00001 -0.00003 -0.00001 0.00042 33 2PX 0.00000 -0.00000 0.00000 0.00002 -0.00009 34 2PY -0.00000 -0.00000 -0.00001 -0.00002 0.00026 35 2PZ 0.00000 -0.00000 0.00001 0.00003 0.00002 36 3S -0.00000 0.00007 0.00039 0.00002 0.00292 37 3PX 0.00000 0.00001 0.00008 0.00015 0.00085 38 3PY 0.00001 -0.00003 -0.00034 0.00014 -0.00149 39 3PZ -0.00001 0.00001 -0.00006 -0.00014 -0.00015 40 4XX 0.00000 -0.00000 -0.00001 0.00001 -0.00020 41 4YY 0.00000 0.00000 0.00002 -0.00001 -0.00062 42 4ZZ 0.00000 -0.00000 -0.00001 0.00000 -0.00014 43 4XY -0.00000 -0.00000 -0.00002 -0.00002 -0.00000 44 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00001 45 4YZ 0.00000 -0.00000 0.00000 -0.00001 -0.00000 46 4 H 1S 0.00000 -0.00000 -0.00005 0.00002 -0.00012 47 2S -0.00002 -0.00000 0.00021 -0.00022 -0.00041 48 5 H 1S -0.00000 -0.00000 -0.00001 -0.00001 -0.00014 49 2S -0.00000 0.00000 -0.00000 -0.00007 0.00043 50 6 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00014 51 2S 0.00000 -0.00001 0.00006 0.00008 0.00041 52 7 C 1S -0.00000 -0.00001 -0.00008 0.00007 0.02767 53 2S -0.00000 -0.00003 -0.00024 -0.00020 0.00072 54 2PX -0.00000 -0.00000 -0.00002 -0.00008 0.00031 55 2PY -0.00000 0.00000 -0.00006 -0.00003 -0.00023 56 2PZ -0.00000 -0.00001 -0.00001 -0.00000 -0.00006 57 3S 0.00000 0.00022 0.00208 0.00134 0.00620 58 3PX -0.00003 0.00022 0.00078 -0.00076 -0.00226 59 3PY 0.00001 0.00001 0.00114 0.00038 0.00183 60 3PZ -0.00002 0.00003 -0.00011 0.00005 0.00042 61 4XX -0.00000 0.00000 0.00002 -0.00009 -0.00057 62 4YY -0.00000 -0.00001 -0.00005 -0.00010 -0.00051 63 4ZZ 0.00000 -0.00002 -0.00009 -0.00007 -0.00044 64 4XY -0.00000 0.00001 0.00002 -0.00002 0.00004 65 4XZ -0.00000 0.00000 -0.00002 0.00003 0.00003 66 4YZ -0.00000 0.00000 -0.00002 -0.00005 -0.00001 67 8 C 1S -0.00000 0.00001 -0.00016 0.03889 0.00201 68 2S -0.00000 0.00004 -0.00023 0.00161 0.00008 69 2PX 0.00000 -0.00001 -0.00018 0.00001 0.00006 70 2PY -0.00000 -0.00001 -0.00002 0.00009 0.00003 71 2PZ -0.00001 -0.00000 0.00000 -0.00007 -0.00002 72 3S 0.00008 -0.00044 0.00046 0.00467 -0.00047 73 3PX -0.00000 0.00002 0.00205 0.00172 0.00032 74 3PY 0.00003 0.00008 0.00039 -0.00094 -0.00040 75 3PZ 0.00011 -0.00015 0.00018 0.00176 -0.00002 76 4XX -0.00001 -0.00001 -0.00011 -0.00058 -0.00003 77 4YY -0.00001 0.00001 -0.00012 -0.00050 0.00001 78 4ZZ 0.00000 0.00000 -0.00003 -0.00067 -0.00004 79 4XY 0.00000 -0.00000 -0.00005 0.00006 0.00001 80 4XZ 0.00000 -0.00001 0.00008 -0.00014 -0.00001 81 4YZ 0.00000 -0.00001 0.00001 0.00009 -0.00000 82 9 C 1S 0.00000 -0.00004 0.00491 0.99229 -0.00051 83 2S 0.00002 -0.00014 0.00031 0.05040 0.00001 84 2PX 0.00001 -0.00002 -0.00019 0.00011 -0.00000 85 2PY -0.00000 -0.00001 -0.00002 0.00011 -0.00000 86 2PZ -0.00000 0.00001 0.00002 -0.00006 0.00001 87 3S -0.00019 0.00109 0.00203 -0.02109 -0.00030 88 3PX 0.00004 0.00040 0.00189 -0.00087 0.00001 89 3PY -0.00034 0.00053 -0.00021 -0.00084 0.00006 90 3PZ 0.00004 -0.00021 0.00046 0.00129 -0.00005 91 4XX 0.00002 -0.00000 -0.00040 -0.00900 0.00003 92 4YY -0.00001 -0.00002 -0.00013 -0.00881 0.00004 93 4ZZ 0.00001 -0.00004 -0.00010 -0.00892 0.00003 94 4XY -0.00003 0.00004 -0.00013 -0.00001 -0.00000 95 4XZ -0.00000 -0.00000 0.00004 -0.00006 0.00001 96 4YZ 0.00000 -0.00001 0.00009 0.00006 -0.00001 97 10 C 1S 0.00001 -0.00002 0.99285 -0.00504 -0.00000 98 2S 0.00006 -0.00012 0.04939 -0.00037 0.00001 99 2PX -0.00003 -0.00002 -0.00011 0.00015 -0.00001 100 2PY 0.00003 -0.00006 -0.00001 0.00010 -0.00001 101 2PZ 0.00001 0.00000 -0.00007 -0.00006 -0.00001 102 3S -0.00215 0.00183 -0.01761 0.00381 -0.00003 103 3PX -0.00130 0.00193 -0.00069 -0.00331 0.00000 104 3PY 0.00128 -0.00137 0.00067 -0.00153 0.00005 105 3PZ 0.00017 -0.00033 0.00032 0.00057 0.00006 106 4XX -0.00001 0.00004 -0.00897 -0.00025 0.00000 107 4YY -0.00002 0.00009 -0.00892 -0.00009 0.00001 108 4ZZ 0.00002 -0.00005 -0.00923 -0.00007 0.00001 109 4XY 0.00008 -0.00013 -0.00021 -0.00009 0.00000 110 4XZ 0.00001 -0.00003 -0.00005 0.00008 -0.00000 111 4YZ -0.00003 0.00003 0.00004 0.00005 -0.00000 112 11 C 1S -0.00001 -0.00004 0.00297 -0.00042 -0.00001 113 2S -0.00006 -0.00006 -0.00002 -0.00040 -0.00000 114 2PX 0.00001 -0.00006 -0.00003 0.00015 -0.00000 115 2PY -0.00005 0.00005 0.00025 0.00004 0.00000 116 2PZ -0.00005 0.00001 -0.00005 0.00000 0.00000 117 3S 0.00026 0.00059 0.00344 0.00191 0.00002 118 3PX 0.00057 -0.00025 0.00019 -0.00041 0.00001 119 3PY 0.00036 -0.00027 -0.00181 -0.00060 0.00002 120 3PZ 0.00017 0.00001 0.00018 -0.00013 -0.00004 121 4XX 0.00003 -0.00003 -0.00015 -0.00008 -0.00000 122 4YY -0.00002 -0.00005 -0.00051 -0.00003 -0.00001 123 4ZZ -0.00000 -0.00006 -0.00007 -0.00016 -0.00000 124 4XY -0.00003 0.00005 -0.00008 -0.00003 -0.00000 125 4XZ -0.00000 -0.00001 0.00002 -0.00003 0.00000 126 4YZ 0.00001 -0.00001 0.00004 0.00001 0.00000 127 12 H 1S 0.00006 -0.00003 -0.00013 -0.00004 -0.00000 128 2S -0.00093 0.00009 -0.00024 0.00025 -0.00001 129 13 H 1S -0.00000 -0.00001 -0.00015 -0.00005 0.00000 130 2S 0.00010 -0.00005 0.00041 -0.00051 -0.00005 131 14 H 1S -0.00003 -0.00000 -0.00014 -0.00013 0.00001 132 2S -0.00009 -0.00002 0.00020 -0.00019 -0.00001 133 15 C 1S -0.00003 0.00191 0.01070 -0.00052 -0.00000 134 2S -0.00015 0.00003 -0.00007 -0.00020 -0.00001 135 2PX 0.00006 -0.00037 0.00029 0.00013 -0.00000 136 2PY -0.00006 -0.00000 -0.00032 0.00003 0.00000 137 2PZ -0.00001 0.00007 -0.00004 0.00001 -0.00000 138 3S 0.00183 0.00204 0.00600 0.00015 0.00009 139 3PX -0.00147 0.00354 -0.00203 -0.00067 -0.00002 140 3PY 0.00210 -0.00208 0.00228 0.00034 -0.00001 141 3PZ 0.00027 -0.00062 0.00023 0.00001 -0.00001 142 4XX 0.00007 -0.00059 -0.00044 -0.00005 0.00000 143 4YY -0.00003 -0.00022 -0.00041 0.00008 -0.00000 144 4ZZ -0.00005 -0.00013 -0.00028 -0.00011 -0.00000 145 4XY -0.00010 0.00004 0.00010 -0.00004 0.00000 146 4XZ -0.00003 0.00010 0.00005 -0.00000 0.00000 147 4YZ 0.00003 -0.00001 -0.00003 0.00001 -0.00000 148 16 C 1S 0.00000 0.99285 -0.00003 -0.00002 0.00000 149 2S 0.00051 0.04873 -0.00008 -0.00013 0.00000 150 2PX -0.00002 0.00031 0.00004 0.00003 0.00000 151 2PY 0.00002 0.00076 -0.00002 -0.00004 -0.00000 152 2PZ -0.00000 -0.00009 -0.00001 -0.00001 0.00000 153 3S -0.00283 -0.00954 -0.00044 0.00071 -0.00002 154 3PX -0.00107 0.00235 -0.00002 -0.00064 0.00001 155 3PY -0.00351 0.00358 -0.00063 0.00014 -0.00000 156 3PZ 0.00035 -0.00058 0.00007 0.00017 0.00000 157 4XX -0.00022 -0.00915 0.00002 0.00001 -0.00000 158 4YY -0.00069 -0.00862 0.00001 -0.00002 -0.00000 159 4ZZ -0.00005 -0.00963 -0.00002 -0.00007 0.00000 160 4XY -0.00033 0.00052 0.00000 -0.00000 -0.00000 161 4XZ 0.00006 -0.00013 -0.00002 -0.00002 -0.00000 162 4YZ 0.00010 -0.00016 0.00000 0.00000 -0.00000 163 17 O 1S 0.99272 -0.00011 -0.00002 -0.00000 -0.00000 164 2S 0.02557 0.00049 -0.00010 -0.00001 -0.00000 165 2PX -0.00050 0.00004 0.00000 -0.00000 0.00000 166 2PY -0.00102 0.00004 0.00001 0.00001 0.00000 167 2PZ 0.00014 -0.00001 -0.00000 0.00000 -0.00000 168 3S 0.01447 -0.00356 0.00070 -0.00000 0.00001 169 3PX -0.00093 0.00077 -0.00007 0.00010 -0.00000 170 3PY -0.00135 0.00196 -0.00016 -0.00008 -0.00000 171 3PZ 0.00028 -0.00026 0.00001 -0.00004 0.00000 172 4XX -0.00809 0.00025 -0.00008 -0.00002 -0.00000 173 4YY -0.00783 -0.00020 -0.00005 0.00001 -0.00000 174 4ZZ -0.00823 0.00047 -0.00005 -0.00003 -0.00000 175 4XY 0.00023 -0.00026 0.00002 -0.00000 0.00000 176 4XZ -0.00005 0.00006 0.00000 -0.00000 -0.00000 177 4YZ -0.00006 0.00009 0.00000 0.00000 -0.00000 178 18 H 1S -0.00009 -0.00018 -0.00003 -0.00001 -0.00000 179 2S -0.00061 0.00248 -0.00000 0.00024 0.00000 180 19 H 1S 0.00012 -0.00021 -0.00006 -0.00004 0.00000 181 2S 0.00041 -0.00064 0.00014 -0.00009 -0.00004 182 20 H 1S 0.00001 -0.00003 -0.00012 0.00011 -0.00000 183 2S 0.00005 -0.00003 0.00023 0.00284 0.00010 184 21 H 1S -0.00001 -0.00003 -0.00006 0.00009 0.00000 185 2S -0.00017 0.00029 -0.00042 0.00285 0.00016 186 22 H 1S 0.00001 0.00001 -0.00022 -0.00022 0.00001 187 2S 0.00004 -0.00003 0.00002 0.00003 -0.00002 188 23 H 1S -0.00002 0.00001 -0.00001 -0.00018 0.00002 189 2S 0.00003 -0.00001 -0.00049 0.00036 0.00030 190 24 H 1S 0.00000 -0.00001 0.00001 0.00002 -0.00006 191 2S 0.00001 -0.00003 0.00036 -0.00018 0.00017 192 25 H 1S 0.00000 -0.00000 -0.00001 -0.00001 -0.00010 193 2S -0.00000 0.00002 -0.00003 -0.00003 -0.00040 194 26 H 1S 0.00000 0.00000 0.00001 -0.00001 -0.00014 195 2S -0.00000 0.00001 0.00000 -0.00001 0.00040 196 27 H 1S 0.00000 0.00000 0.00001 0.00001 -0.00014 197 2S 0.00000 -0.00000 0.00002 0.00006 0.00040 6 7 8 9 10 O O O O O Eigenvalues -- -10.19477 -10.18814 -10.18414 -10.18189 -10.18109 1 1 C 1S -0.00014 -0.00001 -0.00262 0.99286 0.00004 2 2S -0.00017 -0.00000 -0.00052 0.05011 0.00000 3 2PX -0.00003 -0.00000 0.00006 -0.00003 -0.00001 4 2PY 0.00000 -0.00000 -0.00013 0.00010 -0.00000 5 2PZ 0.00002 0.00000 -0.00001 0.00001 0.00000 6 3S 0.00072 -0.00002 0.00228 -0.01765 -0.00011 7 3PX 0.00032 -0.00000 0.00045 -0.00091 -0.00003 8 3PY 0.00036 0.00001 0.00075 -0.00074 0.00002 9 3PZ -0.00012 0.00000 -0.00008 0.00017 -0.00000 10 4XX -0.00001 -0.00000 0.00001 -0.00921 -0.00000 11 4YY -0.00001 -0.00000 -0.00005 -0.00911 0.00000 12 4ZZ -0.00008 -0.00000 -0.00011 -0.00911 -0.00001 13 4XY 0.00003 0.00000 0.00002 -0.00004 -0.00000 14 4XZ -0.00001 0.00000 -0.00003 0.00002 0.00000 15 4YZ -0.00001 0.00000 -0.00000 0.00001 0.00000 16 2 C 1S -0.00229 0.00000 -0.01074 -0.00882 0.00016 17 2S -0.00016 0.00000 -0.00066 -0.00057 0.00001 18 2PX -0.00012 0.00000 -0.00005 0.00016 0.00001 19 2PY -0.00001 0.00000 -0.00027 0.00014 0.00001 20 2PZ -0.00000 0.00000 0.00001 -0.00003 -0.00001 21 3S 0.00029 0.00007 0.00361 0.00357 0.00014 22 3PX 0.00098 0.00001 0.00080 -0.00216 -0.00001 23 3PY -0.00117 -0.00010 0.00384 -0.00196 -0.00028 24 3PZ -0.00017 -0.00002 -0.00014 0.00040 -0.00001 25 4XX -0.00001 -0.00000 -0.00006 -0.00024 0.00000 26 4YY 0.00007 0.00000 -0.00033 -0.00015 -0.00000 27 4ZZ -0.00004 -0.00000 -0.00002 -0.00005 -0.00000 28 4XY -0.00010 -0.00000 0.00003 -0.00012 -0.00000 29 4XZ -0.00000 -0.00000 0.00001 0.00004 -0.00000 30 4YZ 0.00002 0.00000 -0.00001 0.00002 0.00000 31 3 C 1S -0.00031 -0.00002 0.99287 0.00237 0.00008 32 2S -0.00013 -0.00001 0.05018 -0.00024 -0.00002 33 2PX -0.00008 -0.00000 -0.00009 0.00013 -0.00000 34 2PY -0.00002 -0.00000 -0.00001 0.00007 -0.00001 35 2PZ -0.00003 -0.00000 0.00002 -0.00002 0.00000 36 3S 0.00141 0.00010 -0.01847 0.00159 0.00029 37 3PX 0.00020 0.00002 -0.00010 -0.00040 0.00006 38 3PY -0.00024 -0.00001 0.00128 -0.00062 -0.00004 39 3PZ 0.00014 0.00000 -0.00000 0.00006 -0.00001 40 4XX -0.00007 -0.00000 -0.00910 -0.00009 -0.00001 41 4YY -0.00003 -0.00000 -0.00919 -0.00005 -0.00001 42 4ZZ -0.00007 -0.00000 -0.00910 -0.00016 -0.00001 43 4XY 0.00005 0.00000 0.00006 -0.00002 -0.00000 44 4XZ -0.00001 -0.00000 0.00000 -0.00001 -0.00000 45 4YZ -0.00000 -0.00000 -0.00001 0.00000 0.00000 46 4 H 1S -0.00003 0.00000 -0.00007 -0.00002 0.00001 47 2S -0.00060 -0.00004 0.00295 0.00030 -0.00013 48 5 H 1S -0.00002 -0.00000 0.00002 -0.00010 -0.00001 49 2S 0.00005 -0.00000 0.00280 -0.00032 -0.00000 50 6 H 1S -0.00004 -0.00000 0.00002 -0.00010 -0.00001 51 2S -0.00016 -0.00000 0.00283 -0.00030 -0.00001 52 7 C 1S 0.00908 -0.00002 -0.00202 -0.00695 -0.00561 53 2S 0.00028 -0.00003 -0.00017 -0.00048 -0.00035 54 2PX -0.00015 -0.00000 0.00002 0.00008 -0.00001 55 2PY -0.00014 0.00001 -0.00008 0.00005 0.00001 56 2PZ 0.00007 -0.00001 -0.00001 -0.00002 -0.00000 57 3S 0.00398 0.00018 -0.00036 -0.00009 0.00050 58 3PX 0.00386 0.00024 -0.00102 -0.00050 0.00057 59 3PY 0.00123 0.00003 -0.00084 0.00009 0.00004 60 3PZ -0.00064 -0.00001 0.00019 0.00009 -0.00005 61 4XX -0.00042 0.00000 0.00011 0.00004 0.00006 62 4YY -0.00017 -0.00000 -0.00001 0.00012 0.00004 63 4ZZ -0.00023 -0.00001 -0.00004 -0.00003 0.00002 64 4XY -0.00010 0.00001 -0.00000 -0.00006 0.00003 65 4XZ 0.00006 0.00000 -0.00003 -0.00002 -0.00000 66 4YZ 0.00005 -0.00000 -0.00000 0.00001 -0.00000 67 8 C 1S 0.99228 -0.00008 0.00024 0.00012 0.00013 68 2S 0.05036 0.00007 -0.00012 -0.00015 0.00011 69 2PX 0.00002 -0.00001 0.00003 0.00003 -0.00006 70 2PY -0.00008 -0.00000 -0.00006 -0.00001 -0.00005 71 2PZ 0.00007 -0.00002 -0.00000 -0.00001 -0.00005 72 3S -0.02203 -0.00067 0.00160 0.00100 -0.00102 73 3PX 0.00050 0.00003 -0.00049 -0.00040 0.00008 74 3PY 0.00114 0.00007 0.00020 -0.00007 0.00029 75 3PZ -0.00123 -0.00003 0.00012 0.00022 -0.00010 76 4XX -0.00895 0.00001 -0.00007 -0.00001 -0.00007 77 4YY -0.00876 0.00003 -0.00005 -0.00005 0.00001 78 4ZZ -0.00887 0.00002 -0.00007 -0.00006 -0.00002 79 4XY -0.00003 0.00000 0.00003 0.00002 -0.00003 80 4XZ -0.00005 0.00000 0.00000 -0.00001 0.00000 81 4YZ 0.00005 -0.00000 -0.00001 -0.00001 -0.00002 82 9 C 1S -0.03916 0.00042 -0.00001 -0.00001 0.00024 83 2S -0.00231 -0.00018 0.00001 0.00004 -0.00040 84 2PX -0.00006 0.00000 -0.00000 -0.00000 -0.00002 85 2PY -0.00006 0.00000 0.00002 0.00001 -0.00015 86 2PZ 0.00011 -0.00000 0.00002 0.00001 0.00002 87 3S 0.00605 0.00136 -0.00022 -0.00037 0.00256 88 3PX -0.00150 0.00037 0.00006 0.00011 0.00082 89 3PY 0.00060 0.00039 -0.00024 -0.00015 0.00052 90 3PZ -0.00210 -0.00015 -0.00002 0.00002 -0.00033 91 4XX 0.00012 0.00005 0.00000 -0.00000 -0.00001 92 4YY 0.00019 -0.00000 0.00001 0.00001 -0.00012 93 4ZZ 0.00003 -0.00005 0.00000 0.00001 -0.00014 94 4XY 0.00004 0.00002 0.00001 0.00000 0.00000 95 4XZ -0.00015 -0.00002 0.00000 -0.00000 -0.00003 96 4YZ 0.00008 -0.00000 -0.00000 -0.00001 -0.00001 97 10 C 1S 0.00026 -0.01120 0.00000 0.00000 -0.00319 98 2S -0.00017 -0.00113 -0.00000 -0.00002 -0.00023 99 2PX 0.00012 -0.00034 0.00001 0.00001 -0.00009 100 2PY 0.00001 0.00024 -0.00002 -0.00001 -0.00027 101 2PZ 0.00001 0.00006 0.00000 0.00001 0.00001 102 3S 0.00071 0.00659 -0.00010 0.00005 0.00322 103 3PX 0.00031 0.00380 -0.00023 -0.00020 0.00156 104 3PY 0.00001 -0.00099 0.00016 0.00014 0.00398 105 3PZ 0.00008 -0.00066 0.00002 -0.00002 -0.00027 106 4XX -0.00010 -0.00019 -0.00000 -0.00000 -0.00016 107 4YY -0.00010 -0.00028 -0.00001 -0.00001 -0.00043 108 4ZZ -0.00006 -0.00006 -0.00000 -0.00001 -0.00008 109 4XY 0.00000 0.00006 0.00001 0.00001 -0.00004 110 4XZ 0.00001 0.00003 0.00000 0.00000 0.00001 111 4YZ -0.00005 -0.00001 -0.00000 -0.00000 0.00000 112 11 C 1S -0.00005 -0.00044 -0.00010 -0.00008 0.99290 113 2S 0.00003 -0.00006 -0.00002 -0.00000 0.05033 114 2PX -0.00003 -0.00002 0.00002 0.00001 -0.00024 115 2PY 0.00000 0.00009 0.00001 0.00001 -0.00013 116 2PZ 0.00004 0.00002 -0.00000 -0.00000 -0.00003 117 3S -0.00004 -0.00097 -0.00004 -0.00009 -0.01875 118 3PX 0.00024 -0.00044 -0.00006 0.00001 0.00037 119 3PY 0.00024 0.00036 -0.00001 0.00002 0.00157 120 3PZ -0.00023 -0.00003 0.00004 0.00002 0.00008 121 4XX -0.00003 0.00004 -0.00001 -0.00000 -0.00910 122 4YY -0.00001 0.00004 -0.00000 -0.00000 -0.00923 123 4ZZ -0.00000 -0.00003 -0.00001 -0.00000 -0.00912 124 4XY -0.00001 0.00005 -0.00001 -0.00001 0.00002 125 4XZ 0.00002 -0.00002 -0.00000 -0.00000 -0.00000 126 4YZ -0.00001 -0.00001 0.00000 -0.00000 0.00000 127 12 H 1S -0.00002 0.00001 0.00001 0.00000 -0.00004 128 2S -0.00016 0.00030 0.00005 0.00001 0.00284 129 13 H 1S 0.00004 0.00003 -0.00002 -0.00000 0.00003 130 2S -0.00033 -0.00009 0.00008 0.00003 0.00286 131 14 H 1S 0.00008 0.00004 -0.00000 0.00000 0.00001 132 2S -0.00003 0.00000 -0.00005 -0.00001 0.00278 133 15 C 1S 0.00014 0.99272 0.00002 0.00001 0.00040 134 2S 0.00007 0.04981 -0.00002 -0.00001 -0.00008 135 2PX -0.00006 0.00007 -0.00001 -0.00001 -0.00000 136 2PY 0.00002 0.00019 -0.00000 0.00000 -0.00008 137 2PZ -0.00005 -0.00000 0.00000 0.00000 0.00001 138 3S -0.00043 -0.01729 0.00029 0.00021 -0.00004 139 3PX 0.00050 -0.00037 -0.00002 0.00002 -0.00135 140 3PY -0.00028 -0.00345 0.00016 0.00009 -0.00039 141 3PZ 0.00009 0.00005 0.00001 0.00001 0.00023 142 4XX 0.00004 -0.00916 0.00000 0.00000 0.00010 143 4YY 0.00002 -0.00935 -0.00000 0.00000 -0.00002 144 4ZZ 0.00005 -0.00957 -0.00001 -0.00000 -0.00006 145 4XY -0.00000 -0.00019 -0.00000 -0.00000 -0.00004 146 4XZ -0.00001 -0.00009 -0.00000 -0.00000 -0.00004 147 4YZ -0.00001 0.00003 0.00000 0.00000 -0.00000 148 16 C 1S 0.00000 -0.00217 0.00000 0.00000 -0.00000 149 2S 0.00003 -0.00039 0.00000 0.00000 -0.00006 150 2PX 0.00000 0.00030 0.00000 0.00000 0.00001 151 2PY 0.00001 0.00004 -0.00000 -0.00000 -0.00011 152 2PZ 0.00001 -0.00005 -0.00000 -0.00000 0.00002 153 3S -0.00016 0.00572 -0.00010 -0.00008 0.00080 154 3PX 0.00014 -0.00240 0.00003 0.00003 -0.00069 155 3PY 0.00018 0.00145 -0.00005 -0.00002 0.00005 156 3PZ -0.00013 0.00038 -0.00001 -0.00001 0.00011 157 4XX 0.00000 -0.00048 -0.00001 -0.00000 -0.00005 158 4YY 0.00001 -0.00018 -0.00000 -0.00000 -0.00007 159 4ZZ 0.00001 -0.00016 0.00000 0.00000 -0.00005 160 4XY -0.00001 -0.00018 -0.00000 -0.00000 0.00000 161 4XZ 0.00001 0.00007 0.00000 0.00000 0.00001 162 4YZ -0.00001 0.00003 0.00000 0.00000 0.00001 163 17 O 1S 0.00001 0.00006 -0.00000 -0.00000 0.00000 164 2S 0.00003 0.00027 -0.00001 -0.00001 0.00001 165 2PX -0.00000 -0.00003 0.00000 0.00000 0.00001 166 2PY -0.00001 -0.00004 0.00000 -0.00000 0.00004 167 2PZ -0.00001 0.00002 -0.00000 -0.00000 0.00002 168 3S -0.00020 -0.00206 0.00007 0.00003 -0.00005 169 3PX 0.00002 0.00058 -0.00002 -0.00001 0.00007 170 3PY 0.00006 0.00028 -0.00002 -0.00001 -0.00030 171 3PZ 0.00003 -0.00015 0.00000 0.00000 -0.00009 172 4XX 0.00002 0.00019 -0.00001 -0.00000 0.00002 173 4YY 0.00002 0.00029 -0.00001 -0.00000 0.00004 174 4ZZ 0.00002 0.00009 -0.00001 -0.00000 -0.00003 175 4XY -0.00000 -0.00004 0.00000 0.00000 0.00004 176 4XZ -0.00000 -0.00001 0.00000 -0.00000 0.00001 177 4YZ -0.00000 -0.00001 -0.00000 -0.00000 -0.00002 178 18 H 1S 0.00002 -0.00001 -0.00000 0.00000 0.00000 179 2S 0.00001 0.00048 -0.00001 -0.00000 0.00020 180 19 H 1S 0.00003 -0.00040 0.00001 0.00001 -0.00004 181 2S -0.00004 0.00126 0.00003 0.00001 -0.00018 182 20 H 1S -0.00019 -0.00003 0.00004 0.00004 -0.00009 183 2S 0.00005 -0.00004 0.00006 0.00005 -0.00029 184 21 H 1S -0.00018 -0.00002 -0.00002 -0.00001 -0.00004 185 2S -0.00011 -0.00002 -0.00006 0.00002 0.00012 186 22 H 1S 0.00017 -0.00000 -0.00003 -0.00001 0.00009 187 2S 0.00299 0.00014 0.00002 0.00002 -0.00000 188 23 H 1S 0.00001 0.00001 -0.00004 -0.00004 -0.00003 189 2S 0.00324 0.00009 -0.00066 -0.00008 0.00003 190 24 H 1S -0.00008 -0.00001 -0.00005 -0.00003 -0.00002 191 2S 0.00031 0.00001 -0.00018 -0.00009 -0.00005 192 25 H 1S -0.00005 -0.00000 -0.00003 -0.00004 -0.00000 193 2S 0.00019 0.00001 0.00020 0.00261 0.00005 194 26 H 1S -0.00002 -0.00000 -0.00011 -0.00002 0.00000 195 2S -0.00001 0.00000 -0.00034 0.00279 0.00001 196 27 H 1S -0.00003 0.00000 -0.00011 -0.00001 0.00000 197 2S -0.00006 -0.00000 -0.00033 0.00279 -0.00001 11 12 13 14 15 O O O O O Eigenvalues -- -10.18100 -1.02724 -0.83394 -0.81067 -0.75895 1 1 C 1S 0.00665 0.00000 -0.02447 -0.07643 0.06807 2 2S 0.00014 0.00004 0.04590 0.14354 -0.12965 3 2PX 0.00003 -0.00000 0.01574 0.04107 -0.01705 4 2PY 0.00003 -0.00000 0.00821 0.02466 -0.01913 5 2PZ -0.00001 -0.00000 -0.00292 -0.00772 0.00325 6 3S 0.00124 -0.00026 0.03480 0.11601 -0.11199 7 3PX 0.00031 -0.00012 0.00209 0.00732 -0.00222 8 3PY 0.00043 -0.00005 0.00108 0.00250 -0.00199 9 3PZ -0.00011 0.00004 -0.00033 -0.00130 0.00029 10 4XX -0.00000 -0.00000 0.00156 0.00383 -0.00087 11 4YY -0.00004 0.00000 0.00013 0.00036 -0.00051 12 4ZZ -0.00011 0.00001 -0.00080 -0.00207 0.00070 13 4XY 0.00004 -0.00001 0.00125 0.00317 -0.00130 14 4XZ -0.00003 0.00000 -0.00052 -0.00133 0.00036 15 4YZ -0.00002 0.00000 -0.00023 -0.00059 0.00024 16 2 C 1S -0.02826 -0.00001 -0.05135 -0.12856 0.05666 17 2S -0.00203 0.00001 0.09919 0.24994 -0.11141 18 2PX -0.00045 0.00005 0.01960 0.01670 0.05738 19 2PY 0.00014 0.00001 -0.00712 -0.01012 -0.01605 20 2PZ 0.00006 -0.00001 -0.00333 -0.00347 -0.01019 21 3S 0.00662 0.00056 0.06422 0.15269 -0.06472 22 3PX 0.00406 -0.00004 0.00092 -0.00988 0.02396 23 3PY -0.00003 -0.00010 -0.00053 0.00779 -0.01380 24 3PZ -0.00057 0.00002 -0.00027 0.00180 -0.00415 25 4XX -0.00005 0.00002 0.00159 0.00181 0.00174 26 4YY -0.00009 0.00000 -0.00022 0.00111 -0.00335 27 4ZZ 0.00007 0.00000 -0.00511 -0.01258 0.00542 28 4XY 0.00006 0.00001 -0.00129 -0.00155 -0.00284 29 4XZ 0.00005 -0.00000 -0.00146 -0.00332 0.00097 30 4YZ -0.00002 -0.00000 0.00025 0.00037 0.00047 31 3 C 1S 0.00173 0.00000 -0.02699 -0.07754 0.05815 32 2S 0.00005 0.00002 0.05021 0.14543 -0.11119 33 2PX -0.00004 0.00002 0.00427 0.00459 0.01014 34 2PY 0.00009 -0.00001 -0.01815 -0.04750 0.02355 35 2PZ 0.00001 0.00000 -0.00079 -0.00093 -0.00178 36 3S -0.00103 -0.00006 0.03979 0.11710 -0.09428 37 3PX -0.00059 -0.00005 0.00128 0.00279 0.00208 38 3PY 0.00018 0.00006 -0.00381 -0.00653 -0.00168 39 3PZ 0.00005 -0.00002 0.00008 -0.00069 -0.00045 40 4XX -0.00000 0.00001 -0.00032 -0.00112 0.00085 41 4YY 0.00004 0.00000 0.00215 0.00526 -0.00190 42 4ZZ -0.00006 0.00001 -0.00100 -0.00225 0.00037 43 4XY 0.00005 -0.00001 -0.00062 -0.00098 -0.00068 44 4XZ -0.00001 0.00000 -0.00015 -0.00025 -0.00009 45 4YZ 0.00000 0.00000 0.00012 0.00020 0.00012 46 4 H 1S 0.00001 0.00002 0.01499 0.04014 -0.02757 47 2S 0.00043 -0.00001 0.00423 0.00621 0.00177 48 5 H 1S 0.00003 -0.00000 0.01290 0.04001 -0.03599 49 2S -0.00006 -0.00003 0.00167 0.00571 -0.00731 50 6 H 1S 0.00005 0.00000 0.01291 0.04010 -0.03607 51 2S -0.00005 0.00001 0.00148 0.00605 -0.00735 52 7 C 1S 0.99238 -0.00004 -0.06164 -0.09650 -0.04087 53 2S 0.04964 0.00010 0.11764 0.18421 0.07954 54 2PX 0.00020 0.00001 0.00727 -0.04976 0.08994 55 2PY 0.00014 0.00002 0.02079 0.03524 0.00359 56 2PZ 0.00007 -0.00002 0.00230 0.00949 -0.01240 57 3S -0.01740 -0.00056 0.07304 0.13333 0.04296 58 3PX 0.00007 0.00006 0.00300 -0.01193 0.02843 59 3PY -0.00279 -0.00052 -0.00346 0.00026 -0.00632 60 3PZ -0.00035 -0.00008 0.00074 0.00256 -0.00442 61 4XX -0.00898 -0.00001 0.00389 0.00357 0.00302 62 4YY -0.00923 -0.00002 -0.00014 0.00020 0.00002 63 4ZZ -0.00941 0.00001 -0.00617 -0.00964 -0.00377 64 4XY -0.00015 -0.00002 0.00045 -0.00346 0.00590 65 4XZ -0.00010 -0.00002 -0.00182 -0.00307 -0.00083 66 4YZ 0.00003 -0.00001 0.00001 0.00065 -0.00103 67 8 C 1S -0.00933 -0.00022 -0.08044 -0.03746 -0.11838 68 2S -0.00052 0.00045 0.15143 0.06908 0.22658 69 2PX 0.00022 0.00034 0.01008 -0.04561 0.00573 70 2PY 0.00004 -0.00009 -0.01108 -0.00673 -0.01706 71 2PZ -0.00004 0.00007 0.02608 -0.00103 0.02212 72 3S 0.00349 0.00063 0.11708 0.06565 0.19523 73 3PX -0.00255 -0.00087 -0.00215 -0.01013 0.00686 74 3PY 0.00048 0.00094 0.00018 -0.00209 0.00224 75 3PZ -0.00019 0.00121 0.00527 0.00154 0.00042 76 4XX -0.00022 -0.00000 0.00228 0.00251 -0.00193 77 4YY -0.00008 -0.00002 -0.00126 -0.00049 -0.00072 78 4ZZ -0.00002 0.00007 0.00012 -0.00272 -0.00023 79 4XY -0.00021 0.00003 -0.00003 0.00213 -0.00034 80 4XZ 0.00002 0.00004 0.00212 -0.00284 0.00092 81 4YZ 0.00010 0.00001 -0.00100 -0.00004 -0.00054 82 9 C 1S 0.00022 -0.00104 -0.10350 0.02312 -0.07821 83 2S -0.00017 0.00168 0.19423 -0.04279 0.14974 84 2PX 0.00018 0.00116 0.02486 -0.04493 -0.06210 85 2PY 0.00004 0.00041 0.01787 -0.00611 0.00512 86 2PZ 0.00001 -0.00021 -0.02339 -0.00529 -0.03005 87 3S -0.00011 0.00021 0.15451 -0.04018 0.13210 88 3PX -0.00219 0.00117 0.00864 -0.00664 -0.01399 89 3PY -0.00061 -0.00414 0.00010 -0.00025 0.00126 90 3PZ -0.00023 -0.00055 -0.00514 -0.00043 -0.00431 91 4XX -0.00013 0.00031 0.00407 -0.00214 -0.00363 92 4YY -0.00009 -0.00018 -0.00160 0.00027 -0.00054 93 4ZZ -0.00002 -0.00013 -0.00163 0.00241 0.00291 94 4XY -0.00003 -0.00004 0.00132 -0.00197 -0.00257 95 4XZ 0.00009 -0.00012 0.00003 0.00288 0.00484 96 4YZ 0.00001 -0.00003 -0.00071 -0.00033 -0.00068 97 10 C 1S -0.00003 -0.00652 -0.12140 0.07534 0.04808 98 2S -0.00022 0.01411 0.23769 -0.14828 -0.09497 99 2PX 0.00005 0.00741 -0.00773 -0.01971 -0.09311 100 2PY 0.00005 -0.00181 -0.01797 0.00936 0.00638 101 2PZ 0.00000 -0.00145 -0.00157 0.00276 0.01117 102 3S 0.00183 -0.02713 0.14677 -0.09854 -0.07885 103 3PX -0.00150 -0.01561 -0.00742 0.00076 -0.01348 104 3PY -0.00096 0.00950 0.01078 -0.00443 -0.00214 105 3PZ 0.00028 0.00324 -0.00009 -0.00054 0.00251 106 4XX 0.00003 0.00054 0.00233 0.00054 0.00491 107 4YY -0.00008 -0.00038 0.00071 -0.00136 -0.00326 108 4ZZ -0.00009 -0.00049 -0.01185 0.00725 0.00476 109 4XY 0.00003 -0.00001 -0.00030 0.00160 0.00560 110 4XZ -0.00002 -0.00023 -0.00280 0.00166 0.00073 111 4YZ -0.00001 -0.00001 -0.00001 -0.00019 -0.00086 112 11 C 1S 0.00558 -0.00351 -0.06324 0.04438 0.04059 113 2S 0.00022 0.00497 0.11860 -0.08321 -0.07684 114 2PX 0.00004 0.00217 -0.01129 0.00361 -0.00988 115 2PY 0.00000 -0.00281 -0.04533 0.02927 0.02031 116 2PZ 0.00000 -0.00033 0.00071 -0.00057 0.00058 117 3S 0.00039 0.00738 0.08815 -0.06754 -0.06871 118 3PX 0.00007 0.00523 -0.00146 -0.00051 -0.00669 119 3PY -0.00030 -0.00357 -0.00394 0.00277 -0.00011 120 3PZ -0.00003 -0.00137 -0.00005 0.00035 0.00012 121 4XX -0.00007 0.00010 -0.00097 0.00077 0.00060 122 4YY -0.00004 0.00037 0.00515 -0.00320 -0.00201 123 4ZZ -0.00008 -0.00053 -0.00178 0.00121 0.00098 124 4XY -0.00003 -0.00065 0.00121 -0.00038 0.00110 125 4XZ 0.00001 -0.00009 -0.00012 0.00010 -0.00000 126 4YZ 0.00000 0.00006 -0.00022 0.00014 0.00005 127 12 H 1S -0.00001 0.00513 0.02866 -0.02206 -0.02618 128 2S 0.00002 0.00060 0.00071 -0.00045 -0.00022 129 13 H 1S -0.00005 0.00087 0.03246 -0.02257 -0.02076 130 2S 0.00014 0.00064 0.00450 -0.00197 -0.00076 131 14 H 1S -0.00001 0.00098 0.03226 -0.02258 -0.01973 132 2S 0.00004 0.00127 0.00467 -0.00283 -0.00148 133 15 C 1S 0.00002 -0.01936 -0.07884 0.06042 0.08590 134 2S 0.00000 0.03304 0.15081 -0.11621 -0.16731 135 2PX 0.00001 0.02378 -0.04390 0.02469 -0.00204 136 2PY -0.00002 0.01197 0.03832 -0.02761 -0.02759 137 2PZ -0.00001 -0.00463 0.00809 -0.00506 -0.00120 138 3S -0.00021 0.03687 0.10881 -0.08286 -0.12368 139 3PX 0.00037 -0.01227 -0.01047 0.00542 -0.00443 140 3PY 0.00040 0.03285 0.00049 0.00168 0.00764 141 3PZ -0.00002 0.00153 0.00241 -0.00140 -0.00092 142 4XX -0.00003 0.00625 0.00185 -0.00085 -0.00004 143 4YY 0.00003 0.00000 0.00173 -0.00140 -0.00177 144 4ZZ -0.00001 -0.00232 -0.00781 0.00588 0.00798 145 4XY -0.00001 0.00296 -0.00461 0.00292 0.00175 146 4XZ -0.00000 -0.00201 -0.00207 0.00150 0.00193 147 4YZ 0.00000 -0.00056 0.00080 -0.00051 -0.00038 148 16 C 1S -0.00000 -0.11756 -0.01353 0.01330 0.03230 149 2S -0.00003 0.22795 0.02673 -0.02638 -0.06536 150 2PX 0.00003 0.07599 -0.04660 0.03909 0.06960 151 2PY -0.00002 0.16080 -0.02420 0.02066 0.04204 152 2PZ -0.00000 -0.02199 0.00967 -0.00818 -0.01484 153 3S -0.00007 0.08074 0.02129 -0.02111 -0.04871 154 3PX -0.00002 -0.00301 -0.00731 0.00689 0.01263 155 3PY 0.00013 -0.04066 -0.00189 0.00117 0.00427 156 3PZ -0.00003 0.00252 0.00142 -0.00134 -0.00235 157 4XX -0.00000 -0.01057 0.00495 -0.00392 -0.00586 158 4YY -0.00000 0.01563 -0.00311 0.00251 0.00422 159 4ZZ -0.00002 -0.01890 -0.00081 0.00091 0.00240 160 4XY 0.00001 0.01814 -0.00193 0.00157 0.00278 161 4XZ -0.00000 -0.00283 -0.00111 0.00095 0.00160 162 4YZ -0.00000 -0.00538 0.00049 -0.00038 -0.00060 163 17 O 1S 0.00000 -0.19524 0.01923 -0.01520 -0.02530 164 2S 0.00002 0.42492 -0.04352 0.03441 0.05755 165 2PX 0.00000 -0.07343 -0.00374 0.00401 0.00993 166 2PY 0.00000 -0.14118 0.01020 -0.00711 -0.00633 167 2PZ -0.00000 0.02089 0.00022 -0.00043 -0.00156 168 3S -0.00011 0.40525 -0.04358 0.03574 0.06252 169 3PX 0.00003 -0.02911 -0.00215 0.00209 0.00542 170 3PY 0.00001 -0.04733 0.00300 -0.00202 -0.00055 171 3PZ 0.00000 0.00824 0.00047 -0.00046 -0.00127 172 4XX 0.00001 -0.00620 0.00128 -0.00106 -0.00171 173 4YY 0.00001 0.00514 -0.00042 0.00020 -0.00028 174 4ZZ 0.00001 -0.00633 0.00009 -0.00004 0.00011 175 4XY -0.00000 0.00975 0.00003 -0.00015 -0.00085 176 4XZ -0.00000 -0.00083 -0.00030 0.00026 0.00048 177 4YZ -0.00000 -0.00237 0.00003 0.00001 0.00019 178 18 H 1S 0.00001 0.02815 0.00629 -0.00667 -0.01954 179 2S 0.00006 -0.01647 0.00127 -0.00182 -0.00595 180 19 H 1S 0.00002 0.00629 0.03761 -0.02923 -0.04470 181 2S 0.00034 0.00794 0.00414 -0.00275 -0.00380 182 20 H 1S -0.00016 0.00054 0.05284 -0.01034 0.04779 183 2S 0.00007 0.00070 0.00756 -0.00010 0.00821 184 21 H 1S -0.00009 0.00015 0.05282 -0.01137 0.04564 185 2S -0.00036 -0.00217 0.00678 -0.00114 0.00785 186 22 H 1S -0.00012 0.00023 0.04161 0.01664 0.06902 187 2S 0.00035 0.00090 0.00611 0.00088 0.01101 188 23 H 1S -0.00013 0.00003 0.04290 0.02105 0.06627 189 2S -0.00074 -0.00036 0.00705 0.00454 0.00615 190 24 H 1S -0.00032 -0.00001 0.02896 0.04598 0.02368 191 2S 0.00161 -0.00014 0.00310 0.00617 0.00441 192 25 H 1S -0.00002 0.00001 0.01243 0.03921 -0.03646 193 2S -0.00005 0.00001 0.00237 0.00646 -0.00608 194 26 H 1S -0.00003 0.00001 0.01174 0.03900 -0.04064 195 2S -0.00004 -0.00001 0.00123 0.00563 -0.00870 196 27 H 1S -0.00004 0.00001 0.01173 0.03900 -0.04069 197 2S -0.00004 0.00001 0.00123 0.00564 -0.00874 16 17 18 19 20 O O O O O Eigenvalues -- -0.71378 -0.69434 -0.68526 -0.63047 -0.59315 1 1 C 1S -0.02079 0.12182 -0.08011 -0.06459 0.02567 2 2S 0.04012 -0.23518 0.15597 0.12737 -0.05102 3 2PX -0.00215 -0.00026 -0.02486 -0.06369 0.04224 4 2PY 0.00535 0.02359 0.00935 -0.00586 0.01018 5 2PZ 0.00046 0.00012 0.00507 0.01196 -0.00673 6 3S 0.03616 -0.22932 0.14857 0.13283 -0.05698 7 3PX -0.00176 0.00148 -0.01232 -0.02499 0.01609 8 3PY 0.00114 0.01130 0.00387 0.00445 -0.00087 9 3PZ 0.00032 -0.00035 0.00239 0.00435 -0.00238 10 4XX -0.00059 0.00043 -0.00365 -0.00612 0.00328 11 4YY 0.00028 0.00082 0.00101 0.00116 -0.00053 12 4ZZ 0.00017 -0.00030 0.00158 0.00328 -0.00202 13 4XY 0.00000 0.00343 -0.00150 -0.00348 0.00231 14 4XZ 0.00017 -0.00016 0.00120 0.00210 -0.00112 15 4YZ -0.00000 -0.00065 0.00029 0.00063 -0.00036 16 2 C 1S -0.00312 0.00610 0.01816 0.06094 -0.03621 17 2S 0.00616 -0.01282 -0.03675 -0.12412 0.07433 18 2PX -0.03414 0.03580 -0.13133 -0.11749 0.03861 19 2PY 0.01602 0.15839 0.04318 0.05993 -0.02708 20 2PZ 0.00669 -0.00622 0.02700 0.02157 -0.00196 21 3S 0.00083 -0.00219 -0.03204 -0.09847 0.05915 22 3PX -0.00995 0.00903 -0.02804 -0.01308 -0.00113 23 3PY 0.00347 0.02173 0.00767 0.00091 0.00023 24 3PZ 0.00210 -0.00153 0.00628 0.00294 0.00163 25 4XX -0.00086 -0.00879 -0.00053 0.00268 -0.00235 26 4YY 0.00164 0.01021 0.00413 0.00348 -0.00124 27 4ZZ -0.00036 0.00016 0.00141 0.00509 -0.00312 28 4XY 0.00181 -0.00582 0.00755 0.00741 -0.00298 29 4XZ 0.00017 0.00203 0.00078 0.00051 0.00042 30 4YZ -0.00036 0.00111 -0.00153 -0.00142 0.00039 31 3 C 1S -0.01971 -0.15416 -0.03788 -0.02856 0.01024 32 2S 0.03815 0.29797 0.07440 0.05659 -0.02034 33 2PX -0.00617 0.00576 -0.02560 -0.02113 0.00520 34 2PY -0.00129 0.02218 0.00746 0.03626 -0.02641 35 2PZ 0.00119 -0.00087 0.00534 0.00385 0.00064 36 3S 0.03555 0.29155 0.06928 0.05980 -0.02306 37 3PX -0.00220 0.00096 -0.01158 -0.01326 0.00529 38 3PY 0.00097 0.01059 0.00278 0.00358 -0.00398 39 3PZ 0.00088 0.00015 0.00293 0.00217 0.00164 40 4XX -0.00009 0.00215 -0.00012 0.00130 -0.00119 41 4YY -0.00025 -0.00497 -0.00179 -0.00456 0.00282 42 4ZZ 0.00028 0.00126 0.00142 0.00200 -0.00094 43 4XY 0.00059 0.00058 0.00235 0.00263 -0.00114 44 4XZ 0.00007 -0.00019 0.00034 0.00013 0.00005 45 4YZ -0.00011 -0.00013 -0.00048 -0.00049 0.00014 46 4 H 1S 0.01055 0.11245 0.01796 0.02491 -0.01541 47 2S 0.00103 0.03083 0.00486 0.01925 -0.01317 48 5 H 1S 0.01418 0.10503 0.03252 0.03086 -0.01343 49 2S 0.00400 0.02694 0.01094 0.01325 -0.00585 50 6 H 1S 0.01426 0.10511 0.03299 0.03092 -0.01235 51 2S 0.00357 0.02684 0.01062 0.01328 -0.00687 52 7 C 1S 0.03246 0.02947 0.10493 0.06881 -0.01247 53 2S -0.06368 -0.05723 -0.20573 -0.13620 0.02405 54 2PX -0.01480 0.02749 0.01189 0.13770 -0.08956 55 2PY -0.00270 0.03312 -0.01728 0.00486 -0.00968 56 2PZ 0.00342 -0.00505 0.00589 -0.03056 0.03678 57 3S -0.04266 -0.05115 -0.16555 -0.12436 0.03131 58 3PX -0.00515 0.01314 -0.00792 0.03308 -0.02404 59 3PY 0.00630 0.01181 0.01011 0.01244 -0.00091 60 3PZ 0.00069 -0.00275 0.00347 -0.00878 0.01285 61 4XX -0.00035 -0.00197 0.00177 0.00506 -0.00192 62 4YY -0.00020 0.00134 -0.00175 -0.00145 0.00018 63 4ZZ 0.00296 0.00278 0.00970 0.00631 -0.00132 64 4XY -0.00082 -0.00125 0.00025 0.00805 -0.00525 65 4XZ 0.00080 0.00109 0.00280 -0.00006 0.00222 66 4YZ 0.00022 0.00028 0.00015 -0.00159 0.00153 67 8 C 1S 0.02559 -0.00321 0.02631 -0.09517 0.06681 68 2S -0.04887 0.00721 -0.05173 0.19089 -0.13566 69 2PX 0.02422 0.00637 0.09949 0.03373 0.02474 70 2PY 0.01374 0.01309 0.00316 0.03032 -0.02314 71 2PZ 0.00561 0.00054 0.03979 -0.03651 0.09241 72 3S -0.05095 -0.00447 -0.04885 0.18309 -0.14274 73 3PX 0.00990 -0.00066 0.02384 0.02229 0.00665 74 3PY -0.00022 0.00511 -0.00330 0.00801 -0.01436 75 3PZ 0.00025 0.00167 0.00964 -0.01942 0.02835 76 4XX -0.00015 -0.00077 -0.00297 -0.00973 0.00437 77 4YY 0.00014 0.00029 -0.00116 0.00316 -0.00348 78 4ZZ 0.00115 0.00001 0.00549 0.00001 0.00347 79 4XY -0.00048 -0.00160 -0.00516 -0.00244 -0.00019 80 4XZ 0.00175 0.00034 0.00735 -0.00210 0.00650 81 4YZ 0.00018 0.00015 -0.00158 0.00231 -0.00370 82 9 C 1S -0.00874 -0.00496 -0.10825 0.02559 -0.08269 83 2S 0.01753 0.00924 0.21113 -0.05191 0.16773 84 2PX 0.01961 0.00028 0.03379 -0.09370 -0.02727 85 2PY 0.03086 0.00184 -0.01222 0.02507 -0.01175 86 2PZ 0.01016 -0.00025 0.02114 -0.05693 0.09181 87 3S 0.01158 0.01208 0.20885 -0.04929 0.17886 88 3PX -0.00001 0.00158 0.00747 -0.03115 -0.01455 89 3PY 0.01057 -0.00055 -0.00789 0.01947 0.00596 90 3PZ 0.00485 -0.00266 0.00942 -0.01542 0.03641 91 4XX -0.00094 -0.00019 -0.00392 -0.00348 -0.01007 92 4YY 0.00082 -0.00004 0.00092 -0.00097 0.00481 93 4ZZ -0.00067 0.00013 -0.00236 0.00565 -0.00082 94 4XY 0.00309 -0.00036 -0.00067 -0.00250 0.00041 95 4XZ -0.00159 0.00005 -0.00367 0.00691 -0.00423 96 4YZ 0.00029 -0.00016 0.00151 -0.00248 0.00428 97 10 C 1S -0.02298 0.00059 -0.01592 0.06385 0.05932 98 2S 0.04586 -0.00118 0.03382 -0.13303 -0.12463 99 2PX -0.06220 -0.00414 -0.09883 0.00998 -0.13533 100 2PY 0.14677 -0.00730 -0.08698 0.08344 0.08037 101 2PZ 0.01187 0.00060 0.02217 -0.01821 0.04520 102 3S 0.02923 -0.00162 0.00985 -0.09638 -0.10535 103 3PX -0.02184 0.00033 -0.02524 0.02017 -0.02326 104 3PY 0.02810 0.00036 -0.00881 -0.00084 0.00961 105 3PZ 0.00419 0.00015 0.00647 -0.00815 0.01228 106 4XX -0.00527 0.00046 0.00674 0.00130 0.00587 107 4YY 0.00734 -0.00061 -0.00767 0.00415 0.00190 108 4ZZ -0.00214 0.00008 -0.00085 0.00501 0.00491 109 4XY 0.00766 -0.00011 0.00344 -0.00018 0.00753 110 4XZ 0.00046 -0.00009 -0.00202 0.00254 -0.00216 111 4YZ -0.00165 0.00000 -0.00055 0.00011 -0.00170 112 11 C 1S -0.13592 0.00802 0.08714 -0.04578 -0.03264 113 2S 0.26121 -0.01527 -0.16834 0.08936 0.06478 114 2PX -0.01983 -0.00075 -0.01307 -0.00081 -0.03107 115 2PY -0.00531 -0.00020 -0.01300 0.04468 0.05394 116 2PZ 0.00095 0.00013 0.00645 -0.00944 0.01408 117 3S 0.24827 -0.01621 -0.16925 0.10209 0.07642 118 3PX -0.00747 0.00040 -0.00296 -0.00864 -0.01651 119 3PY 0.00281 0.00050 -0.00699 0.01118 0.01832 120 3PZ 0.00005 -0.00053 0.00020 -0.00085 0.00604 121 4XX 0.00103 -0.00000 -0.00144 0.00235 0.00176 122 4YY -0.00274 0.00017 0.00334 -0.00588 -0.00621 123 4ZZ 0.00105 -0.00003 -0.00098 0.00240 0.00325 124 4XY 0.00067 0.00010 0.00206 -0.00098 0.00092 125 4XZ -0.00045 0.00002 -0.00034 0.00050 -0.00144 126 4YZ -0.00021 -0.00001 -0.00034 0.00050 -0.00037 127 12 H 1S 0.08142 -0.00559 -0.06470 0.03653 0.01519 128 2S 0.01639 -0.00156 -0.01324 0.01168 0.00171 129 13 H 1S 0.09184 -0.00506 -0.06227 0.04656 0.03304 130 2S 0.02158 -0.00208 -0.01819 0.02081 0.00981 131 14 H 1S 0.09358 -0.00518 -0.05697 0.03953 0.04993 132 2S 0.02342 -0.00067 -0.01262 0.01285 0.02371 133 15 C 1S 0.11767 -0.00139 0.02131 -0.00467 0.03755 134 2S -0.23192 0.00283 -0.04290 0.01140 -0.07357 135 2PX -0.04891 -0.00032 -0.05451 0.14490 0.17533 136 2PY 0.02681 -0.00187 -0.01293 -0.04245 -0.08951 137 2PZ 0.00787 0.00002 0.01070 -0.02985 -0.02575 138 3S -0.17242 0.00236 -0.02876 -0.01188 -0.08626 139 3PX -0.00860 -0.00054 -0.02457 0.04161 0.03415 140 3PY 0.02407 -0.00094 0.00377 -0.01403 -0.01279 141 3PZ 0.00143 0.00014 0.00424 -0.00995 -0.00433 142 4XX -0.00310 0.00021 0.00147 0.00289 0.00813 143 4YY 0.00116 -0.00012 -0.00117 -0.00171 -0.00412 144 4ZZ 0.01046 -0.00009 0.00185 -0.00028 0.00335 145 4XY -0.00247 0.00008 -0.00097 0.00463 0.00511 146 4XZ 0.00289 -0.00006 -0.00006 -0.00006 -0.00141 147 4YZ 0.00059 -0.00003 0.00020 -0.00113 -0.00064 148 16 C 1S 0.07228 -0.00092 0.02531 -0.07030 -0.09301 149 2S -0.14880 0.00198 -0.05257 0.14799 0.19722 150 2PX 0.09967 -0.00035 0.04310 -0.04572 0.01445 151 2PY 0.08860 -0.00112 0.03164 -0.09451 -0.14081 152 2PZ -0.02176 0.00009 -0.00945 0.01214 0.00559 153 3S -0.11770 0.00165 -0.03612 0.12440 0.18366 154 3PX 0.02401 -0.00013 0.00566 -0.01198 -0.00450 155 3PY 0.02597 -0.00068 0.00384 -0.03627 -0.06841 156 3PZ -0.00557 -0.00000 -0.00137 0.00425 0.00457 157 4XX -0.00735 0.00005 -0.00211 0.00073 -0.00287 158 4YY 0.00628 -0.00004 0.00238 -0.00350 -0.00214 159 4ZZ 0.00563 -0.00007 0.00179 -0.00523 -0.00700 160 4XY 0.00355 0.00002 0.00268 -0.00541 -0.00726 161 4XZ 0.00244 -0.00002 0.00066 -0.00079 -0.00043 162 4YZ -0.00062 -0.00001 -0.00054 0.00083 0.00092 163 17 O 1S -0.03861 0.00023 -0.01713 0.03540 0.04381 164 2S 0.08740 -0.00048 0.03992 -0.08251 -0.10236 165 2PX 0.01216 0.00024 0.01168 -0.01374 0.00150 166 2PY 0.01279 -0.00072 -0.00236 -0.02836 -0.07001 167 2PZ -0.00211 -0.00006 -0.00239 0.00378 0.00352 168 3S 0.09704 -0.00055 0.04433 -0.09231 -0.11606 169 3PX 0.00573 0.00016 0.00799 -0.01078 -0.00420 170 3PY 0.01335 -0.00046 -0.00010 -0.01910 -0.04174 171 3PZ -0.00101 -0.00002 -0.00188 0.00272 0.00291 172 4XX -0.00142 -0.00004 -0.00132 0.00068 -0.00152 173 4YY -0.00283 0.00008 -0.00036 0.00399 0.00806 174 4ZZ 0.00004 0.00001 0.00047 -0.00105 -0.00154 175 4XY -0.00277 0.00005 -0.00071 0.00216 0.00204 176 4XZ 0.00028 0.00002 0.00053 -0.00048 -0.00011 177 4YZ 0.00073 -0.00002 0.00016 -0.00067 -0.00102 178 18 H 1S -0.05502 0.00090 -0.01898 0.07473 0.12761 179 2S -0.01507 0.00014 -0.00702 0.02760 0.05333 180 19 H 1S -0.08545 0.00173 -0.00426 0.00654 -0.00739 181 2S -0.01949 0.00042 0.00373 0.00371 0.00822 182 20 H 1S 0.01211 0.00352 0.07394 -0.02254 0.10355 183 2S 0.00425 0.00285 0.01736 -0.01057 0.04315 184 21 H 1S -0.00690 0.00220 0.07954 -0.03311 0.07712 185 2S -0.00503 -0.00051 0.01912 -0.01009 0.03334 186 22 H 1S -0.01731 0.00125 -0.01783 0.08342 -0.08145 187 2S -0.00569 0.00232 -0.00512 0.02592 -0.03855 188 23 H 1S -0.00976 0.01114 -0.02079 0.08812 -0.06823 189 2S 0.00592 0.01167 -0.00716 0.03553 -0.02377 190 24 H 1S -0.02047 -0.03389 -0.06514 -0.05429 0.01514 191 2S -0.00329 -0.01293 -0.01165 -0.01449 0.00792 192 25 H 1S 0.01141 -0.09206 0.04939 0.04571 -0.02164 193 2S 0.00224 -0.02519 0.01208 0.01612 -0.00977 194 26 H 1S 0.01473 -0.07939 0.06151 0.06264 -0.02937 195 2S 0.00400 -0.01947 0.01806 0.02287 -0.01224 196 27 H 1S 0.01469 -0.07937 0.06129 0.06263 -0.03019 197 2S 0.00399 -0.01948 0.01795 0.02259 -0.01249 21 22 23 24 25 O O O O O Eigenvalues -- -0.52621 -0.50798 -0.48742 -0.47476 -0.45057 1 1 C 1S 0.01943 -0.01259 -0.00331 -0.01978 -0.00743 2 2S -0.03915 0.02486 0.00672 0.03927 0.01528 3 2PX 0.07589 -0.05426 -0.01875 -0.10102 -0.14301 4 2PY 0.07037 -0.07755 -0.00033 -0.14966 0.07608 5 2PZ -0.01624 0.00770 0.01162 0.02307 0.03665 6 3S -0.04517 0.03094 0.00931 0.05070 0.01811 7 3PX 0.02604 -0.01643 -0.00879 -0.03917 -0.07241 8 3PY 0.01906 -0.02724 0.00020 -0.06937 0.04056 9 3PZ -0.00626 0.00189 0.00514 0.00920 0.01823 10 4XX 0.00460 -0.00279 -0.00056 -0.00300 -0.00280 11 4YY -0.00140 0.00132 -0.00013 0.00241 -0.00356 12 4ZZ -0.00242 0.00120 0.00103 0.00259 0.00794 13 4XY 0.00671 -0.00576 -0.00035 -0.00815 -0.00089 14 4XZ -0.00162 0.00086 0.00033 0.00119 0.00219 15 4YZ -0.00138 0.00098 0.00040 0.00172 0.00047 16 2 C 1S -0.08398 0.05950 0.00066 0.03809 0.00124 17 2S 0.17836 -0.12636 -0.00207 -0.08284 -0.00489 18 2PX 0.00018 0.03482 0.01578 0.17913 0.03178 19 2PY 0.03202 -0.05249 0.01907 -0.03862 0.16129 20 2PZ -0.00570 -0.01209 0.01173 -0.02718 0.00390 21 3S 0.14629 -0.11958 -0.00033 -0.09653 0.02659 22 3PX -0.01976 0.01827 0.00665 0.04551 0.02640 23 3PY 0.01516 -0.01439 0.00603 0.00221 0.03219 24 3PZ 0.00269 -0.00518 0.00459 -0.00565 -0.00098 25 4XX -0.00311 0.00185 0.00140 0.00370 0.00559 26 4YY -0.00710 0.00493 -0.00123 -0.00015 -0.00498 27 4ZZ -0.00597 0.00435 -0.00021 0.00244 0.00006 28 4XY 0.00284 -0.00231 0.00086 0.00284 0.00114 29 4XZ -0.00108 0.00021 0.00048 0.00005 -0.00114 30 4YZ -0.00039 0.00057 -0.00041 -0.00062 -0.00028 31 3 C 1S 0.03636 -0.02326 0.00298 -0.00474 0.00930 32 2S -0.07327 0.04651 -0.00608 0.00924 -0.01849 33 2PX 0.03270 -0.00704 0.01890 0.14563 0.05044 34 2PY -0.14380 0.12891 -0.01112 0.11855 -0.11913 35 2PZ -0.00920 -0.00100 0.00610 -0.02176 0.00011 36 3S -0.08653 0.05585 -0.00920 -0.00084 -0.01879 37 3PX 0.01901 -0.00468 0.00958 0.07103 0.02145 38 3PY -0.05556 0.05088 -0.00630 0.04722 -0.05934 39 3PZ -0.00589 -0.00103 0.00506 -0.00927 0.00010 40 4XX -0.00438 0.00443 0.00012 0.00819 -0.00200 41 4YY 0.01044 -0.00825 0.00057 -0.00500 0.00482 42 4ZZ -0.00594 0.00405 -0.00100 -0.00268 -0.00499 43 4XY -0.00218 0.00149 -0.00006 0.00187 -0.00078 44 4XZ -0.00029 0.00002 -0.00058 -0.00246 -0.00110 45 4YZ 0.00056 -0.00023 -0.00012 -0.00036 0.00016 46 4 H 1S -0.04883 0.05033 0.00411 0.11797 -0.01713 47 2S -0.02285 0.02771 0.00592 0.08893 -0.00662 48 5 H 1S -0.06182 0.04429 -0.01365 -0.02009 -0.04889 49 2S -0.03355 0.02530 -0.00674 -0.01035 -0.03182 50 6 H 1S -0.06394 0.04202 -0.00541 -0.01668 -0.03980 51 2S -0.03437 0.02451 -0.00303 -0.00900 -0.02431 52 7 C 1S 0.05587 -0.04511 0.00309 -0.01851 -0.01011 53 2S -0.11603 0.09330 -0.00602 0.03782 0.02549 54 2PX -0.11856 0.03751 0.02205 -0.04009 0.15328 55 2PY 0.16520 -0.11030 0.04649 0.12019 0.15167 56 2PZ 0.00774 -0.02048 0.02661 0.02060 -0.01697 57 3S -0.09544 0.09164 -0.01122 0.03665 -0.00748 58 3PX -0.03791 0.00791 0.00613 -0.03036 0.07027 59 3PY 0.06518 -0.04187 0.01408 0.03602 0.04687 60 3PZ -0.00086 -0.00909 0.01463 0.01165 -0.00617 61 4XX 0.00655 -0.00609 0.00048 -0.00437 -0.00041 62 4YY -0.00657 0.00593 -0.00147 -0.00063 -0.00382 63 4ZZ 0.00458 -0.00382 0.00017 -0.00186 0.00002 64 4XY -0.00359 0.00288 0.00100 0.00221 0.00083 65 4XZ -0.00198 -0.00056 0.00226 0.00129 0.00075 66 4YZ 0.00065 -0.00082 0.00088 0.00026 0.00000 67 8 C 1S -0.02740 0.01350 0.00087 0.00910 -0.00412 68 2S 0.05556 -0.02819 -0.00085 -0.02161 0.01174 69 2PX 0.07643 -0.04075 -0.03560 -0.09911 -0.19023 70 2PY 0.15754 -0.03797 0.03445 0.18241 -0.04109 71 2PZ -0.05399 -0.02890 0.10397 0.06655 0.04228 72 3S 0.06225 -0.02577 -0.00335 -0.00999 0.00455 73 3PX 0.03541 -0.01364 -0.02107 -0.05757 -0.09170 74 3PY 0.06624 -0.01887 0.01533 0.07749 -0.00710 75 3PZ -0.02139 -0.01221 0.03650 0.03682 0.02233 76 4XX -0.00345 0.00449 -0.00136 0.00156 0.00347 77 4YY 0.00412 -0.00089 -0.00031 0.00552 -0.00163 78 4ZZ -0.00130 -0.00248 0.00041 -0.00632 -0.00361 79 4XY -0.00541 0.00541 0.00102 0.00231 0.00144 80 4XZ 0.00006 -0.00157 0.00280 0.00155 -0.00284 81 4YZ 0.00330 0.00190 -0.00291 -0.00222 -0.00314 82 9 C 1S 0.01684 0.02232 -0.01971 0.00536 0.00950 83 2S -0.03440 -0.04298 0.03903 -0.01211 -0.02166 84 2PX 0.07413 0.10341 -0.12924 0.01481 -0.03550 85 2PY 0.12864 0.07386 0.05830 0.12722 -0.11523 86 2PZ -0.05763 -0.02309 0.09394 0.10901 0.09446 87 3S -0.03589 -0.07259 0.05906 -0.00874 -0.02972 88 3PX 0.02953 0.02263 -0.05899 0.01403 -0.01702 89 3PY 0.05044 0.02632 0.02959 0.06076 -0.06397 90 3PZ -0.01988 -0.00432 0.04133 0.04198 0.03473 91 4XX 0.00368 0.00752 -0.00364 0.00258 0.00352 92 4YY -0.00522 -0.00405 -0.00052 -0.00268 0.00391 93 4ZZ 0.00164 -0.00205 0.00469 0.00045 -0.00326 94 4XY 0.00155 0.00723 -0.00209 -0.00286 -0.00313 95 4XZ -0.00040 -0.00139 -0.00046 -0.00370 0.00059 96 4YZ -0.00337 -0.00007 0.00380 0.00270 0.00256 97 10 C 1S -0.04338 -0.08172 -0.00121 0.00651 -0.01586 98 2S 0.09405 0.17571 0.00215 -0.01329 0.03517 99 2PX -0.06960 -0.04382 0.11812 -0.04886 0.14660 100 2PY 0.04612 0.08291 0.10426 -0.00303 -0.07610 101 2PZ -0.00699 0.00928 0.00789 0.05313 0.03490 102 3S 0.08742 0.18369 -0.00430 -0.01575 0.03358 103 3PX -0.01991 -0.04068 0.03514 -0.00410 0.02556 104 3PY 0.01138 0.02436 0.03463 -0.00920 -0.01354 105 3PZ -0.00668 0.00662 0.00771 0.02126 0.02557 106 4XX -0.00014 -0.00321 0.00756 -0.00097 -0.00547 107 4YY -0.00548 -0.00673 -0.00796 0.00149 0.00271 108 4ZZ -0.00277 -0.00563 0.00017 0.00090 -0.00102 109 4XY -0.00092 0.00204 0.00003 -0.00501 0.00065 110 4XZ 0.00096 -0.00045 -0.00336 -0.00205 -0.00111 111 4YZ 0.00003 -0.00024 0.00007 0.00049 0.00016 112 11 C 1S 0.02635 0.02736 0.01793 0.00432 -0.01089 113 2S -0.05271 -0.05434 -0.03669 -0.00850 0.02222 114 2PX -0.05727 -0.05404 0.07420 -0.06071 0.09563 115 2PY -0.08645 -0.16311 -0.10415 0.02125 0.01802 116 2PZ -0.00413 0.01590 0.01712 0.04301 0.04879 117 3S -0.06179 -0.06006 -0.04367 -0.01629 0.03620 118 3PX -0.02875 -0.01316 0.04029 -0.03996 0.06075 119 3PY -0.03306 -0.05687 -0.04555 0.00126 0.01927 120 3PZ 0.00068 0.00814 0.00392 0.01586 0.02441 121 4XX -0.00414 -0.00695 0.00057 -0.00083 0.00294 122 4YY 0.00616 0.01130 0.00463 -0.00096 0.00036 123 4ZZ -0.00188 -0.00471 -0.00679 0.00192 -0.00226 124 4XY 0.00292 0.00346 0.00023 -0.00012 -0.00188 125 4XZ 0.00030 -0.00053 -0.00042 -0.00274 -0.00132 126 4YZ -0.00016 -0.00036 -0.00033 0.00001 0.00044 127 12 H 1S -0.06291 -0.07766 0.01553 -0.02993 0.05641 128 2S -0.03237 -0.05860 0.00870 -0.00164 0.00847 129 13 H 1S -0.02410 -0.05476 -0.06246 -0.00634 -0.03254 130 2S -0.00754 -0.03379 -0.03982 -0.00355 -0.02952 131 14 H 1S -0.02983 -0.04387 -0.05382 0.03960 0.00924 132 2S -0.01737 -0.02776 -0.02603 0.03479 0.00517 133 15 C 1S 0.02724 0.05674 0.00296 -0.02133 0.01168 134 2S -0.05523 -0.11655 -0.00363 0.04414 -0.02575 135 2PX 0.00390 -0.01523 0.16361 -0.01425 -0.15201 136 2PY 0.03589 0.12517 0.22648 -0.11496 0.07644 137 2PZ -0.00734 0.00293 -0.02137 0.02149 0.05905 138 3S -0.05913 -0.11826 -0.00111 0.05138 -0.02483 139 3PX 0.00469 0.00049 0.05683 0.00624 -0.05040 140 3PY 0.01491 0.05522 0.09010 -0.04763 0.02593 141 3PZ -0.00323 0.00056 -0.00566 0.00913 0.02674 142 4XX 0.00428 0.00734 0.00237 -0.00371 -0.00166 143 4YY -0.00253 -0.00530 -0.00786 0.00466 0.00042 144 4ZZ 0.00219 0.00440 0.00092 -0.00128 0.00083 145 4XY -0.00367 -0.00867 0.00148 0.00244 -0.00737 146 4XZ 0.00009 -0.00049 -0.00109 -0.00069 -0.00053 147 4YZ 0.00042 0.00191 0.00065 0.00022 0.00291 148 16 C 1S -0.02737 -0.05233 -0.02039 0.02416 -0.00883 149 2S 0.06075 0.11651 0.04935 -0.05461 0.01911 150 2PX 0.06268 0.14219 -0.22150 -0.00465 0.20573 151 2PY -0.03587 -0.05342 0.14517 -0.03348 -0.04092 152 2PZ -0.01106 -0.02029 0.03847 0.00760 -0.01189 153 3S 0.05383 0.10827 0.02928 -0.06078 0.03030 154 3PX 0.01921 0.04340 -0.06608 0.00466 0.06658 155 3PY -0.02169 -0.03217 0.04709 -0.00651 -0.00611 156 3PZ -0.00330 -0.00530 0.01274 0.00108 -0.00097 157 4XX -0.00182 -0.00385 -0.00146 0.00210 -0.00016 158 4YY -0.00010 -0.00014 -0.00642 0.00130 0.00234 159 4ZZ -0.00212 -0.00433 -0.00115 0.00237 -0.00166 160 4XY -0.00368 -0.00854 -0.00273 0.00417 -0.00473 161 4XZ 0.00029 0.00022 -0.00027 -0.00047 -0.00077 162 4YZ 0.00037 0.00108 0.00108 -0.00055 0.00127 163 17 O 1S 0.01734 0.04011 0.02360 -0.02584 0.02129 164 2S -0.03734 -0.08549 -0.05245 0.05526 -0.04138 165 2PX 0.01331 0.01696 -0.17427 0.05589 0.07010 166 2PY -0.06487 -0.14817 0.01410 0.06825 -0.12501 167 2PZ -0.00107 0.00444 0.03554 -0.01067 0.01317 168 3S -0.06187 -0.15332 -0.08857 0.10481 -0.10590 169 3PX 0.00717 0.01039 -0.09612 0.02954 0.04422 170 3PY -0.03326 -0.07270 0.00948 0.03098 -0.05760 171 3PZ -0.00085 0.00179 0.01995 -0.00540 0.00680 172 4XX -0.00118 -0.00151 0.01088 -0.00328 -0.00352 173 4YY 0.00632 0.01401 -0.00414 -0.00524 0.01234 174 4ZZ 0.00011 0.00048 -0.00040 -0.00002 0.00169 175 4XY 0.00071 0.00139 0.01010 -0.00341 -0.00397 176 4XZ 0.00045 0.00045 -0.00336 0.00076 0.00037 177 4YZ -0.00049 -0.00126 -0.00194 0.00072 -0.00116 178 18 H 1S 0.05555 0.10980 -0.10496 -0.01135 0.09100 179 2S 0.02898 0.06249 -0.08091 -0.00288 0.07273 180 19 H 1S -0.04628 -0.11829 -0.14713 0.08465 -0.03112 181 2S -0.02818 -0.07092 -0.10448 0.05388 -0.02026 182 20 H 1S -0.02562 -0.03299 0.09919 0.07612 0.01765 183 2S -0.01505 -0.02190 0.06024 0.05882 0.01995 184 21 H 1S -0.08949 -0.06338 -0.01264 -0.06631 0.06290 185 2S -0.06041 -0.04099 -0.01843 -0.04048 0.04093 186 22 H 1S 0.03216 0.00064 -0.06466 -0.09904 -0.04840 187 2S 0.01542 -0.00074 -0.04694 -0.06374 -0.03293 188 23 H 1S 0.10541 -0.02870 0.01112 0.10060 -0.02041 189 2S 0.05632 -0.01483 0.00342 0.07825 -0.02065 190 24 H 1S -0.13570 0.10014 -0.02879 -0.04613 -0.07990 191 2S -0.08291 0.06155 -0.02058 -0.03788 -0.06597 192 25 H 1S -0.05065 0.05033 0.00062 0.09074 -0.05268 193 2S -0.03639 0.03589 -0.00135 0.05530 -0.04123 194 26 H 1S -0.03187 0.01731 0.01263 0.03351 0.06915 195 2S -0.01926 0.01159 0.00766 0.02052 0.04637 196 27 H 1S -0.03026 0.01917 0.00572 0.02958 0.06043 197 2S -0.01852 0.01279 0.00266 0.01773 0.03956 26 27 28 29 30 O O O O O Eigenvalues -- -0.44153 -0.43398 -0.42204 -0.41790 -0.41147 1 1 C 1S 0.00602 0.00055 -0.00081 -0.00070 -0.00229 2 2S -0.01216 -0.00113 0.00162 0.00186 0.00439 3 2PX -0.02036 0.06559 -0.00605 0.13955 -0.15489 4 2PY 0.15653 -0.00640 -0.02436 -0.08954 -0.00290 5 2PZ 0.02183 0.26068 -0.05380 0.01934 0.07717 6 3S -0.00981 -0.00167 0.00032 0.01087 -0.01307 7 3PX -0.00920 0.03048 -0.00338 0.06826 -0.08367 8 3PY 0.08427 -0.00352 -0.01338 -0.04744 -0.00524 9 3PZ 0.00921 0.11738 -0.02413 0.00777 0.03747 10 4XX 0.00026 -0.00285 0.00051 -0.00011 -0.00277 11 4YY -0.00488 0.00031 0.00097 0.00545 -0.00249 12 4ZZ 0.00357 0.00231 -0.00134 -0.00637 0.00773 13 4XY 0.00357 0.00196 -0.00069 0.00196 -0.00360 14 4XZ 0.00016 -0.00920 0.00211 -0.00365 -0.00015 15 4YZ -0.00010 0.00902 -0.00165 0.00114 0.00211 16 2 C 1S 0.00680 -0.00050 -0.00247 -0.01211 -0.00310 17 2S -0.01440 0.00132 0.00529 0.02704 0.00510 18 2PX -0.12676 0.02761 0.01370 -0.01997 0.12580 19 2PY 0.06789 -0.01466 -0.00284 -0.08405 0.12692 20 2PZ 0.03810 0.17694 -0.02501 0.01858 -0.01394 21 3S -0.00037 -0.00189 0.00358 0.01507 0.02780 22 3PX -0.01331 0.01244 -0.00120 -0.01167 0.03030 23 3PY 0.01050 -0.00415 -0.00204 -0.00400 0.01135 24 3PZ 0.01004 0.08562 -0.01128 0.00996 -0.00091 25 4XX 0.00323 -0.00192 -0.00004 -0.00437 -0.00073 26 4YY -0.00165 0.00030 0.00024 0.00218 -0.00047 27 4ZZ 0.00076 0.00146 -0.00090 -0.00031 0.00050 28 4XY -0.00475 0.00054 0.00070 0.00408 0.00072 29 4XZ -0.00068 -0.00437 0.00215 -0.00137 -0.00252 30 4YZ 0.00105 0.00264 -0.00114 0.00018 0.00091 31 3 C 1S 0.00444 -0.00030 -0.00112 -0.00205 -0.00379 32 2S -0.00845 0.00050 0.00185 0.00458 0.00724 33 2PX -0.15257 0.04607 0.01499 0.02591 0.17302 34 2PY -0.08071 0.00850 0.00507 0.05346 -0.07470 35 2PZ 0.04892 0.28099 -0.05870 0.04016 0.01093 36 3S -0.00900 0.00041 0.00603 -0.00619 0.03221 37 3PX -0.07984 0.02138 0.01011 0.01380 0.08864 38 3PY -0.04402 0.00363 0.00349 0.03406 -0.03695 39 3PZ 0.02556 0.12799 -0.02580 0.01570 -0.00023 40 4XX -0.00631 -0.00412 0.00147 0.00075 0.00086 41 4YY 0.00091 -0.00038 0.00024 -0.00110 0.00472 42 4ZZ 0.00439 0.00470 -0.00180 0.00134 -0.00741 43 4XY -0.00288 0.00053 0.00026 0.00176 0.00236 44 4XZ 0.00116 -0.01309 0.00246 -0.00243 -0.00427 45 4YZ 0.00066 0.00235 -0.00088 0.00042 0.00050 46 4 H 1S -0.11117 0.00099 0.01468 0.02931 0.06411 47 2S -0.07242 0.00115 0.00739 0.02054 0.03622 48 5 H 1S 0.02065 -0.13862 0.02207 -0.01786 -0.08688 49 2S 0.01697 -0.11431 0.01954 -0.02005 -0.07196 50 6 H 1S 0.04195 0.14551 -0.03474 0.02772 -0.04281 51 2S 0.03281 0.11959 -0.03046 0.02157 -0.02996 52 7 C 1S -0.02013 0.00164 0.00422 0.02726 -0.01131 53 2S 0.04459 -0.00391 -0.00925 -0.05724 0.02353 54 2PX 0.13975 0.00683 -0.01171 -0.07450 0.01047 55 2PY -0.07853 -0.01074 0.01665 -0.00530 0.07509 56 2PZ -0.01742 0.09057 0.01998 -0.00923 -0.03596 57 3S 0.03895 0.00320 -0.00335 -0.07973 0.02522 58 3PX 0.05763 0.00501 -0.00107 -0.05896 0.03808 59 3PY -0.03920 -0.00234 0.01165 -0.01090 0.04991 60 3PZ -0.00767 0.04261 0.00997 0.00094 -0.02535 61 4XX -0.00282 -0.00095 0.00196 0.00375 -0.00224 62 4YY 0.00432 0.00017 -0.00123 -0.00304 -0.00162 63 4ZZ -0.00110 0.00141 -0.00051 0.00312 -0.00018 64 4XY 0.00493 0.00084 -0.00095 -0.00070 -0.00707 65 4XZ 0.00045 -0.00383 0.00278 -0.00352 -0.00311 66 4YZ -0.00017 0.00321 0.00051 -0.00050 0.00054 67 8 C 1S -0.00601 -0.00251 0.00128 -0.01599 0.01722 68 2S 0.01447 0.00547 -0.00140 0.02816 -0.03424 69 2PX -0.09628 0.02753 0.03046 0.07072 -0.00468 70 2PY -0.02146 0.00799 -0.01400 0.01021 -0.16383 71 2PZ 0.03835 0.06730 0.08779 -0.13091 -0.11696 72 3S 0.01654 0.00629 -0.01011 0.07961 -0.08072 73 3PX -0.03414 0.01927 0.01802 0.00550 0.00808 74 3PY -0.01020 0.00830 -0.00009 -0.00846 -0.07350 75 3PZ 0.01060 0.03443 0.03040 -0.05550 -0.05858 76 4XX 0.00054 -0.00062 0.00072 -0.00651 0.00823 77 4YY -0.00096 -0.00002 -0.00186 0.00162 -0.00854 78 4ZZ -0.00096 -0.00065 -0.00014 0.00549 0.00141 79 4XY 0.00829 -0.00012 -0.00113 -0.00489 -0.00306 80 4XZ -0.00023 0.00002 0.00288 -0.00340 -0.00383 81 4YZ 0.00130 -0.00200 -0.00266 0.00353 0.00425 82 9 C 1S 0.01809 0.00321 -0.00994 -0.00034 -0.00704 83 2S -0.03720 -0.00354 0.02243 -0.00178 0.01476 84 2PX -0.00972 -0.03897 -0.08963 0.00859 0.15241 85 2PY 0.17104 0.01068 -0.00527 -0.04877 -0.09708 86 2PZ 0.07895 -0.05157 -0.03960 0.04468 -0.07708 87 3S -0.05930 -0.03053 0.01847 0.00794 0.04114 88 3PX -0.01610 -0.02493 -0.05898 0.01919 0.07183 89 3PY 0.09364 0.00015 -0.00248 -0.01924 -0.03890 90 3PZ 0.03805 -0.02161 -0.01318 0.01746 -0.04293 91 4XX 0.00470 0.00121 -0.00250 -0.00366 -0.00071 92 4YY -0.00687 -0.00097 0.00054 0.00190 0.00427 93 4ZZ 0.00294 -0.00016 0.00138 0.00267 -0.00543 94 4XY 0.00321 -0.00112 -0.00042 -0.00053 0.01052 95 4XZ -0.00001 0.00077 0.00036 0.00265 0.00101 96 4YZ 0.00584 -0.00172 -0.00170 0.00136 -0.00231 97 10 C 1S -0.01501 -0.00301 -0.01529 0.00012 -0.00899 98 2S 0.03285 0.00573 0.02940 -0.00151 0.02028 99 2PX -0.04519 0.02217 0.06883 0.07368 -0.17024 100 2PY 0.11355 -0.00320 0.09092 -0.00741 0.10671 101 2PZ 0.08182 -0.04896 -0.08790 0.12133 0.02449 102 3S 0.06292 0.02396 0.10946 0.00496 0.02407 103 3PX -0.00649 0.00033 0.03553 0.04015 -0.03327 104 3PY 0.00105 -0.01365 -0.01674 -0.00025 0.03522 105 3PZ 0.04226 -0.02179 -0.04377 0.05693 0.00571 106 4XX -0.00203 -0.00033 0.00035 0.00156 0.00064 107 4YY 0.00082 0.00028 -0.00145 -0.00143 0.00004 108 4ZZ -0.00091 -0.00041 -0.00150 -0.00100 -0.00113 109 4XY -0.00496 -0.00116 0.00404 0.00473 0.00827 110 4XZ -0.00112 0.00074 -0.00005 0.00205 0.00067 111 4YZ 0.00293 -0.00076 -0.00349 0.00468 0.00038 112 11 C 1S 0.00842 -0.00023 0.00171 -0.00232 0.00113 113 2S -0.01611 -0.00016 -0.00097 0.00728 0.00004 114 2PX -0.08398 0.00421 0.14396 0.17127 -0.06802 115 2PY -0.09423 -0.00820 -0.12896 -0.00768 -0.07248 116 2PZ 0.13631 -0.07061 -0.17422 0.26465 0.05559 117 3S -0.01830 0.00769 -0.00194 -0.00773 -0.01223 118 3PX -0.05217 0.00022 0.05480 0.08135 -0.03658 119 3PY -0.05452 -0.00527 -0.06505 -0.00261 -0.03359 120 3PZ 0.05598 -0.03249 -0.08323 0.12971 0.02108 121 4XX -0.00431 -0.00085 0.00096 0.00911 -0.00325 122 4YY 0.00510 0.00039 0.00415 0.00030 0.00257 123 4ZZ -0.00245 0.00046 -0.00621 -0.00885 -0.00095 124 4XY 0.00147 0.00010 0.00549 0.00185 0.00313 125 4XZ -0.00699 0.00339 0.00937 -0.01024 -0.00316 126 4YZ 0.00188 -0.00112 -0.00473 0.00535 0.00130 127 12 H 1S -0.05980 -0.00250 0.06116 0.11148 -0.03916 128 2S -0.01311 -0.00286 0.06986 0.08974 -0.00551 129 13 H 1S -0.08423 0.03501 0.02932 -0.18137 -0.03716 130 2S -0.06710 0.02663 0.02158 -0.13686 -0.03802 131 14 H 1S 0.05454 -0.03602 -0.16552 0.07174 0.02143 132 2S 0.04743 -0.02900 -0.13234 0.05889 0.01224 133 15 C 1S -0.01356 -0.00173 0.01008 0.00922 0.01969 134 2S 0.02846 0.00381 -0.01902 -0.01969 -0.03978 135 2PX 0.05025 -0.03283 0.02223 0.01424 0.17577 136 2PY -0.09893 0.00441 0.04122 0.05026 -0.04474 137 2PZ 0.02721 -0.01595 -0.03954 0.08201 -0.04012 138 3S 0.03255 -0.00151 -0.05823 -0.03081 -0.06092 139 3PX 0.05572 0.00077 0.06899 0.01732 0.04821 140 3PY -0.04585 -0.00314 -0.01893 0.00865 -0.01414 141 3PZ 0.00592 -0.01109 -0.03009 0.04164 -0.01626 142 4XX -0.00416 -0.00112 -0.00121 0.00060 0.00636 143 4YY 0.00496 0.00093 0.00006 -0.00218 -0.00357 144 4ZZ -0.00059 -0.00036 0.00038 0.00082 0.00146 145 4XY 0.00122 -0.00166 -0.00781 -0.00304 0.00427 146 4XZ -0.00046 0.00098 0.00204 -0.00068 -0.00085 147 4YZ 0.00137 -0.00082 -0.00046 0.00482 -0.00091 148 16 C 1S 0.02616 0.00339 0.02245 0.00313 -0.00495 149 2S -0.06109 -0.00808 -0.06092 -0.01190 0.00810 150 2PX -0.04740 0.03122 -0.00540 0.02650 -0.17329 151 2PY -0.09440 -0.02395 -0.27247 -0.10342 -0.03876 152 2PZ 0.03160 -0.01881 -0.00651 0.08662 0.02240 153 3S -0.07902 -0.01034 -0.04134 0.00731 0.02526 154 3PX 0.00551 0.01446 0.02953 0.01898 -0.06442 155 3PY -0.01522 -0.00041 -0.03228 -0.01215 -0.02028 156 3PZ 0.00994 -0.01015 -0.01529 0.04427 0.00797 157 4XX 0.00398 0.00112 0.00858 0.00210 -0.00095 158 4YY 0.00052 0.00043 0.00150 0.00120 -0.00107 159 4ZZ 0.00371 0.00018 0.00459 0.00125 0.00138 160 4XY 0.00190 -0.00087 -0.01191 -0.00623 -0.00095 161 4XZ -0.00088 0.00026 0.00055 -0.00071 0.00061 162 4YZ 0.00054 -0.00046 0.00142 0.00515 -0.00002 163 17 O 1S -0.04066 -0.00232 -0.05241 -0.01334 -0.02150 164 2S 0.08446 0.00584 0.10622 0.02580 0.03898 165 2PX 0.10014 0.02885 0.20581 0.08189 -0.03625 166 2PY 0.15688 -0.00080 0.28276 0.10515 0.15855 167 2PZ -0.01097 -0.01847 -0.07069 0.07058 -0.01193 168 3S 0.17629 0.00469 0.22620 0.05967 0.11852 169 3PX 0.05195 0.01689 0.11044 0.04502 -0.02782 170 3PY 0.07563 0.00081 0.15074 0.05743 0.07766 171 3PZ -0.00477 -0.01110 -0.03952 0.04404 -0.00532 172 4XX -0.00500 -0.00116 -0.00814 -0.00341 0.00138 173 4YY -0.01069 0.00098 -0.01392 -0.00449 -0.01268 174 4ZZ -0.00005 0.00010 -0.00026 0.00169 -0.00181 175 4XY -0.00591 -0.00168 -0.01458 -0.00665 0.00144 176 4XZ 0.00071 0.00101 0.00340 -0.00252 -0.00038 177 4YZ 0.00082 0.00107 0.00486 -0.00363 0.00111 178 18 H 1S 0.00081 0.01820 0.10994 0.05560 -0.03194 179 2S 0.00896 0.01749 0.11149 0.05376 -0.03087 180 19 H 1S 0.06254 0.00306 -0.04012 -0.03944 -0.01882 181 2S 0.04238 0.00156 -0.03271 -0.03069 -0.00675 182 20 H 1S 0.06755 -0.01872 0.00239 0.01149 -0.09274 183 2S 0.05257 -0.00847 -0.01197 0.01737 -0.07281 184 21 H 1S -0.10990 -0.01262 0.00881 0.03142 0.05994 185 2S -0.06569 -0.00748 0.00309 0.02272 0.04296 186 22 H 1S -0.03072 -0.02710 -0.03732 0.09808 0.08221 187 2S -0.02955 -0.01872 -0.03067 0.07043 0.06765 188 23 H 1S -0.01514 0.00271 -0.01663 0.02320 -0.10769 189 2S -0.02607 -0.00080 -0.01775 0.00658 -0.07381 190 24 H 1S 0.06089 0.00482 -0.01405 -0.02289 -0.03383 191 2S 0.03217 0.00391 -0.00759 -0.01182 -0.01849 192 25 H 1S -0.09784 0.00432 0.01563 0.06782 -0.01357 193 2S -0.06344 0.00364 0.01067 0.04831 -0.01359 194 26 H 1S 0.03220 0.12704 -0.03184 -0.03497 0.08394 195 2S 0.02665 0.10599 -0.02749 -0.02616 0.06582 196 27 H 1S 0.01531 -0.14011 0.02345 -0.08178 0.03459 197 2S 0.01240 -0.11489 0.02000 -0.06673 0.02216 31 32 33 34 35 O O O O O Eigenvalues -- -0.38724 -0.38311 -0.37843 -0.37373 -0.37259 1 1 C 1S 0.00023 -0.00263 0.00017 0.00472 -0.00741 2 2S -0.00058 0.00655 -0.00036 -0.01156 0.01530 3 2PX 0.05841 0.06761 -0.02970 -0.16222 0.04135 4 2PY 0.00695 -0.09714 0.02159 0.17045 0.20648 5 2PZ 0.32889 -0.02148 -0.00954 0.02421 -0.00495 6 3S -0.00045 0.00402 -0.00701 -0.01892 0.03634 7 3PX 0.02970 0.02749 -0.01690 -0.07394 0.02219 8 3PY 0.00344 -0.05142 0.00893 0.08255 0.10078 9 3PZ 0.16190 -0.00685 -0.00268 0.01144 -0.00313 10 4XX -0.00549 -0.00273 0.00058 0.00667 0.00408 11 4YY -0.00061 0.00743 -0.00169 -0.01538 -0.01075 12 4ZZ 0.00611 -0.00505 0.00108 0.00995 0.00261 13 4XY 0.00126 0.00123 -0.00037 -0.00372 0.00440 14 4XZ -0.01687 0.00058 0.00145 0.00134 -0.00049 15 4YZ 0.00667 -0.00059 -0.00037 0.00044 -0.00085 16 2 C 1S 0.00118 -0.01096 -0.00184 0.00877 -0.00263 17 2S -0.00261 0.02532 0.00474 -0.02047 0.00848 18 2PX 0.00094 -0.02021 0.00742 0.10430 -0.17374 19 2PY -0.00568 0.05117 0.02475 -0.08964 0.00989 20 2PZ 0.00431 0.01999 0.01074 -0.01471 0.03201 21 3S -0.00474 0.02728 0.00738 -0.02276 0.00329 22 3PX -0.00007 -0.01654 -0.00228 0.03360 -0.05098 23 3PY -0.00069 0.01471 -0.00536 -0.03333 -0.00952 24 3PZ 0.00114 0.00921 0.00514 -0.00486 0.00981 25 4XX -0.00165 -0.00319 -0.00021 0.00621 -0.00255 26 4YY -0.00031 0.00406 0.00114 -0.00685 0.00426 27 4ZZ 0.00209 -0.00210 -0.00092 0.00096 -0.00055 28 4XY -0.00265 0.00501 0.00032 -0.00846 0.00844 29 4XZ -0.00597 0.00394 0.00246 -0.00018 0.00035 30 4YZ -0.01138 -0.00381 -0.00151 0.00111 -0.00156 31 3 C 1S 0.00066 -0.00708 -0.00230 0.00863 0.00054 32 2S -0.00139 0.01514 0.00442 -0.01920 0.00019 33 2PX -0.07032 0.07236 0.06121 -0.03963 0.30764 34 2PY 0.00591 -0.05026 -0.01515 0.09948 0.00537 35 2PZ -0.30643 -0.08163 -0.04269 -0.00188 -0.05824 36 3S -0.00284 0.03063 0.01731 -0.03435 0.00283 37 3PX -0.03498 0.04052 0.03146 -0.02081 0.14111 38 3PY 0.00274 -0.01749 -0.00962 0.04226 -0.00481 39 3PZ -0.15237 -0.03353 -0.01685 0.00022 -0.02588 40 4XX 0.00452 0.00082 0.00146 0.00327 0.00661 41 4YY -0.00033 0.00328 0.00170 -0.00372 0.00556 42 4ZZ -0.00406 -0.00539 -0.00361 0.00309 -0.01299 43 4XY -0.00233 0.00221 0.00232 -0.00176 0.01893 44 4XZ 0.01458 0.00294 0.00104 0.00063 -0.00397 45 4YZ -0.00968 -0.00282 -0.00166 -0.00014 -0.00341 46 4 H 1S -0.00707 0.03403 0.03438 0.00183 0.19787 47 2S -0.00549 0.01671 0.02548 0.00808 0.18464 48 5 H 1S 0.17120 0.00345 -0.00677 0.03312 -0.11083 49 2S 0.14125 0.00176 -0.00383 0.03860 -0.09819 50 6 H 1S -0.16025 -0.07125 -0.04214 0.02244 -0.11411 51 2S -0.13137 -0.07173 -0.04051 0.02790 -0.10214 52 7 C 1S -0.00155 0.01685 -0.00006 -0.02370 0.01945 53 2S 0.00305 -0.03462 -0.00091 0.04978 -0.04425 54 2PX -0.00290 0.05887 0.00408 -0.13151 0.01761 55 2PY -0.00096 0.01526 -0.03151 -0.01604 -0.23967 56 2PZ -0.00219 0.06921 0.05338 0.04823 -0.00943 57 3S 0.00612 -0.04621 0.00906 0.06613 -0.05037 58 3PX -0.00105 0.01559 0.01838 -0.03092 0.00900 59 3PY 0.00033 0.01464 -0.00199 -0.01159 -0.08198 60 3PZ 0.00299 0.04064 0.02536 0.01758 -0.00495 61 4XX -0.00076 0.00611 0.00069 -0.00358 -0.00488 62 4YY 0.00026 -0.00282 0.00173 0.00195 0.01284 63 4ZZ 0.00026 -0.00042 -0.00165 -0.00251 0.00073 64 4XY 0.00011 -0.00169 -0.00128 -0.00184 0.00165 65 4XZ -0.00107 0.00415 0.00323 0.00186 0.00066 66 4YZ -0.00128 0.00241 0.00175 0.00120 -0.00066 67 8 C 1S 0.00145 -0.01408 -0.00300 0.00314 0.00982 68 2S -0.00250 0.03512 0.00925 -0.00760 -0.02004 69 2PX -0.01088 0.08050 0.08034 0.10475 0.06847 70 2PY 0.01487 -0.12338 -0.03944 0.08191 0.04254 71 2PZ -0.01894 0.22587 0.15803 0.08134 -0.04106 72 3S -0.00739 0.02819 -0.00858 -0.01233 -0.05063 73 3PX -0.00625 0.02617 0.04696 0.04818 0.02987 74 3PY 0.00500 -0.06313 -0.01395 0.05343 -0.00034 75 3PZ -0.01902 0.10477 0.07054 0.03884 -0.01386 76 4XX -0.00023 0.00260 0.00231 0.00305 -0.00874 77 4YY 0.00109 -0.00803 -0.00321 0.00125 0.00698 78 4ZZ -0.00003 -0.00041 -0.00255 -0.00392 0.00315 79 4XY 0.00020 -0.00137 -0.00042 -0.00199 0.00147 80 4XZ -0.00046 0.00520 0.00489 0.00469 0.00053 81 4YZ 0.00013 -0.00422 -0.00322 -0.00186 0.00097 82 9 C 1S -0.00055 0.00334 -0.00385 -0.01638 0.00429 83 2S -0.00049 -0.00483 0.01058 0.03552 -0.00921 84 2PX 0.01319 -0.17090 -0.05283 0.06583 -0.04305 85 2PY -0.00327 0.02359 0.04514 0.08212 0.02907 86 2PZ 0.02284 -0.20677 -0.17360 -0.15010 0.06498 87 3S 0.01373 -0.03479 0.01203 0.07072 -0.02529 88 3PX 0.00505 -0.09251 -0.02764 0.04439 -0.02189 89 3PY 0.00078 0.01293 0.02366 0.03427 0.02061 90 3PZ 0.01144 -0.10803 -0.08648 -0.07821 0.03148 91 4XX -0.00025 0.00238 0.00367 0.00369 -0.00276 92 4YY 0.00039 -0.00388 -0.00393 -0.00614 -0.00043 93 4ZZ 0.00007 -0.00154 -0.00305 -0.00307 0.00456 94 4XY -0.00009 -0.00063 0.00061 -0.00057 -0.00245 95 4XZ -0.00071 0.00786 0.00569 0.00149 -0.00185 96 4YZ 0.00025 -0.00289 -0.00415 -0.00435 0.00220 97 10 C 1S 0.00015 -0.00180 0.00034 0.00330 0.00393 98 2S -0.00043 0.00457 -0.00033 -0.00520 -0.01028 99 2PX -0.00431 0.07540 -0.02304 -0.11347 0.06942 100 2PY -0.00366 0.05512 0.02454 -0.04887 -0.03761 101 2PZ 0.00459 -0.06062 -0.00347 -0.00335 -0.00174 102 3S -0.00194 0.00997 0.00827 -0.02671 -0.00132 103 3PX 0.00129 -0.00220 0.00491 -0.02989 0.02308 104 3PY 0.00105 0.00169 -0.00369 0.00209 -0.01375 105 3PZ 0.00126 -0.02005 -0.00202 -0.00912 0.00108 106 4XX -0.00004 -0.00264 0.00235 0.00579 0.00037 107 4YY -0.00032 0.00416 0.00118 -0.00327 -0.00146 108 4ZZ 0.00021 -0.00184 -0.00281 -0.00115 0.00110 109 4XY 0.00037 -0.00478 -0.00100 0.00906 -0.00449 110 4XZ -0.00051 0.00389 0.00766 0.00199 -0.00143 111 4YZ -0.00086 0.00956 -0.00180 0.00406 0.00048 112 11 C 1S 0.00051 -0.00654 -0.00084 -0.00086 0.00394 113 2S -0.00089 0.01169 0.00229 0.00100 -0.00758 114 2PX 0.00450 -0.06739 -0.00038 0.24657 -0.02172 115 2PY 0.00257 -0.04404 -0.01970 0.03714 0.03367 116 2PZ -0.01850 0.19673 -0.02404 0.09433 0.00090 117 3S -0.00352 0.04550 0.00748 0.00035 -0.02076 118 3PX 0.00186 -0.02218 -0.01666 0.12472 -0.01009 119 3PY 0.00176 -0.02193 -0.00951 0.02760 0.01440 120 3PZ -0.00818 0.08543 0.00542 0.04763 -0.00252 121 4XX 0.00014 -0.00306 -0.00004 0.01421 -0.00035 122 4YY -0.00027 0.00355 0.00042 -0.00445 -0.00040 123 4ZZ 0.00021 -0.00205 -0.00069 -0.00897 0.00193 124 4XY 0.00022 -0.00319 0.00123 0.00903 -0.00288 125 4XZ 0.00083 -0.00909 0.00208 -0.00222 -0.00031 126 4YZ -0.00081 0.00896 -0.00089 0.00328 0.00022 127 12 H 1S 0.00256 -0.04324 0.00116 0.16716 -0.01462 128 2S 0.00276 -0.05185 0.01568 0.12562 -0.01195 129 13 H 1S 0.01014 -0.10635 0.00950 -0.10662 0.01278 130 2S 0.00965 -0.10470 0.00722 -0.09082 0.01645 131 14 H 1S -0.01036 0.11458 -0.02009 -0.02581 0.01761 132 2S -0.00948 0.10072 -0.03450 -0.02409 0.02617 133 15 C 1S 0.00109 -0.01430 -0.00229 0.01358 -0.00906 134 2S -0.00226 0.02901 0.00583 -0.03003 0.01948 135 2PX 0.00448 -0.05974 0.00884 -0.00950 -0.03211 136 2PY 0.00218 -0.01681 -0.05188 -0.07125 0.05464 137 2PZ 0.00274 -0.05993 0.10571 -0.04117 0.00132 138 3S -0.00389 0.05658 -0.00918 -0.04042 0.02791 139 3PX -0.00083 -0.00058 0.01355 -0.02718 -0.00051 140 3PY -0.00014 0.00319 -0.02411 -0.01869 0.01210 141 3PZ 0.00251 -0.04219 0.05634 -0.01916 -0.00225 142 4XX 0.00044 -0.00612 0.00051 0.00232 -0.00133 143 4YY -0.00040 0.00513 0.00359 0.00086 -0.00166 144 4ZZ 0.00010 -0.00065 -0.00275 0.00071 0.00001 145 4XY -0.00001 -0.00091 0.00306 0.00224 -0.00238 146 4XZ -0.00012 -0.00059 0.00839 -0.00163 -0.00082 147 4YZ 0.00006 -0.00136 0.00184 -0.00113 0.00044 148 16 C 1S -0.00064 0.00912 0.00181 -0.00715 0.00296 149 2S 0.00118 -0.01772 -0.00242 0.01549 -0.00668 150 2PX -0.00321 0.02667 0.07019 0.00288 0.01210 151 2PY -0.00236 0.01566 0.05400 0.02210 -0.02081 152 2PZ 0.00545 -0.14229 0.30224 -0.08648 -0.02966 153 3S 0.00432 -0.05094 -0.01394 0.02706 -0.00925 154 3PX -0.00214 0.01939 0.03265 -0.02089 0.01245 155 3PY -0.00083 0.00521 0.01728 -0.00948 0.00501 156 3PZ 0.00280 -0.07890 0.17690 -0.04356 -0.01927 157 4XX -0.00006 0.00124 0.00021 -0.00582 0.00232 158 4YY 0.00005 -0.00132 0.00233 0.00268 -0.00113 159 4ZZ -0.00002 0.00128 -0.00388 -0.00057 0.00088 160 4XY -0.00029 0.00235 0.00665 -0.00143 -0.00186 161 4XZ 0.00006 -0.00207 0.00535 0.00003 -0.00112 162 4YZ 0.00026 -0.00741 0.01678 -0.00409 -0.00143 163 17 O 1S -0.00026 0.00087 0.00564 0.01375 -0.00262 164 2S 0.00025 0.00129 -0.01039 -0.03237 0.00724 165 2PX -0.00095 0.00893 0.04574 -0.09793 0.03167 166 2PY 0.00558 -0.06592 -0.02458 -0.03345 0.00327 167 2PZ 0.00514 -0.16255 0.39864 -0.07957 -0.04564 168 3S 0.00201 -0.01410 -0.02747 -0.04710 0.00235 169 3PX -0.00075 0.00671 0.03048 -0.06226 0.02052 170 3PY 0.00309 -0.03662 -0.01327 -0.01779 0.00348 171 3PZ 0.00317 -0.10024 0.24690 -0.04818 -0.02898 172 4XX 0.00003 -0.00012 -0.00294 0.00347 -0.00063 173 4YY -0.00038 0.00454 0.00032 0.00183 0.00100 174 4ZZ 0.00002 -0.00191 0.00619 -0.00249 0.00012 175 4XY -0.00007 0.00131 -0.00305 0.00336 -0.00132 176 4XZ -0.00018 0.00526 -0.01183 0.00158 0.00162 177 4YZ -0.00029 0.00922 -0.02277 0.00535 0.00244 178 18 H 1S 0.00087 -0.00773 -0.01580 0.00312 0.01259 179 2S 0.00070 -0.00575 -0.01480 0.00112 0.01439 180 19 H 1S -0.00327 0.03539 0.03990 0.02891 -0.02265 181 2S -0.00311 0.03262 0.03439 0.03030 -0.02920 182 20 H 1S 0.00879 -0.07337 -0.07322 -0.06246 0.05334 183 2S 0.00178 -0.05387 -0.06683 -0.05876 0.05227 184 21 H 1S 0.00437 -0.03560 -0.03849 -0.05134 -0.01509 185 2S 0.00370 -0.02484 -0.02929 -0.05254 -0.00069 186 22 H 1S 0.00315 -0.06439 -0.05974 -0.04653 0.01976 187 2S -0.00066 -0.05918 -0.05900 -0.04126 0.02341 188 23 H 1S 0.01023 -0.08315 -0.03253 0.03308 0.04424 189 2S 0.01129 -0.06823 -0.02593 0.00667 0.07817 190 24 H 1S 0.00225 -0.02721 0.02010 0.03098 0.13750 191 2S 0.00170 -0.01375 0.01996 0.00862 0.13406 192 25 H 1S -0.00595 0.07408 -0.01668 -0.13852 -0.12157 193 2S -0.00489 0.05976 -0.01304 -0.11876 -0.10444 194 26 H 1S 0.17875 -0.04523 0.00375 0.08107 0.02187 195 2S 0.14933 -0.04581 0.00017 0.07613 0.01036 196 27 H 1S -0.17357 -0.03368 0.02162 0.08926 0.01944 197 2S -0.14357 -0.02980 0.01924 0.08454 0.00797 36 37 38 39 40 O O O O O Eigenvalues -- -0.36939 -0.35323 -0.34592 -0.32785 -0.26012 1 1 C 1S 0.00202 -0.00662 -0.00812 -0.02613 0.00228 2 2S -0.00520 0.01217 0.01602 0.05372 -0.00465 3 2PX -0.06340 0.01004 0.13515 0.20178 -0.02152 4 2PY 0.07354 0.15302 -0.00749 0.12419 -0.00428 5 2PZ 0.00312 -0.00520 -0.03170 -0.03544 -0.02023 6 3S -0.00373 0.04533 0.05738 0.14845 -0.01325 7 3PX -0.02593 0.01735 0.07733 0.12189 -0.01265 8 3PY 0.03590 0.07101 0.01087 0.05889 -0.00432 9 3PZ 0.00202 -0.00365 -0.01539 -0.02279 -0.00290 10 4XX 0.00381 0.00804 -0.00317 0.00471 0.00193 11 4YY -0.00711 -0.01310 0.00610 -0.00674 -0.00056 12 4ZZ 0.00389 0.00339 -0.00625 -0.00387 -0.00084 13 4XY -0.00181 0.00031 0.00474 0.00590 -0.00056 14 4XZ 0.00081 -0.00071 -0.00005 -0.00220 0.00413 15 4YZ 0.00011 -0.00016 -0.00090 -0.00111 0.00024 16 2 C 1S 0.00419 -0.00386 0.01255 -0.00380 -0.00410 17 2S -0.01047 0.00624 -0.02393 0.00909 0.00904 18 2PX 0.06008 0.02644 -0.17875 -0.13285 0.03988 19 2PY -0.07910 -0.20910 0.03838 -0.21651 -0.00231 20 2PZ -0.00472 -0.00279 0.04134 0.02129 0.07445 21 3S -0.00807 0.01295 -0.04921 0.01127 0.01974 22 3PX 0.02447 0.01779 -0.03030 -0.02829 0.01807 23 3PY -0.02027 -0.03777 0.01992 0.00119 -0.00387 24 3PZ -0.00347 -0.00405 0.00592 0.00528 0.04861 25 4XX 0.00466 0.00815 0.00074 0.01195 0.00068 26 4YY -0.00510 -0.01075 0.00378 -0.01235 0.00053 27 4ZZ 0.00031 0.00023 -0.00013 0.00022 -0.00180 28 4XY -0.00489 -0.00008 0.00583 0.01358 -0.00157 29 4XZ 0.00016 -0.00155 0.00061 -0.00285 0.00476 30 4YZ 0.00037 -0.00009 -0.00142 -0.00249 -0.00233 31 3 C 1S 0.00764 0.01690 0.00199 0.01750 -0.00152 32 2S -0.01571 -0.03462 -0.00325 -0.03291 0.00302 33 2PX -0.07540 -0.02381 -0.00369 0.06010 0.00050 34 2PY 0.07457 0.19547 -0.04255 0.22382 -0.00217 35 2PZ 0.00534 0.00507 -0.00011 -0.01002 -0.02343 36 3S -0.03832 -0.09371 -0.00857 -0.12491 0.00963 37 3PX -0.04124 -0.01883 -0.01495 0.01794 0.00212 38 3PY 0.03466 0.10794 -0.03307 0.14783 0.00198 39 3PZ 0.00538 0.00328 0.00082 -0.00291 -0.00615 40 4XX 0.00149 0.00589 -0.00119 0.00769 0.00065 41 4YY -0.00338 -0.00513 0.00068 -0.00327 0.00024 42 4ZZ 0.00430 0.00440 -0.00141 0.00128 -0.00085 43 4XY -0.00319 0.00196 0.00386 0.00986 -0.00110 44 4XZ 0.00117 -0.00031 0.00005 -0.00129 0.00237 45 4YZ 0.00008 -0.00050 -0.00103 -0.00169 -0.00343 46 4 H 1S -0.02471 0.03957 0.00159 0.09872 0.00014 47 2S -0.01093 0.04890 0.02859 0.10598 -0.00775 48 5 H 1S 0.04074 0.03335 -0.01250 0.00446 0.01922 49 2S 0.04255 0.03878 -0.01637 0.00642 0.02645 50 6 H 1S 0.03085 0.03308 -0.01395 0.00440 -0.01963 51 2S 0.03140 0.03925 -0.01728 0.00670 -0.03015 52 7 C 1S -0.01110 0.00198 0.00123 -0.00811 0.00410 53 2S 0.02444 -0.00233 0.00068 0.02375 -0.00816 54 2PX -0.07167 -0.10210 0.17134 0.15963 -0.01524 55 2PY 0.03156 0.08859 -0.06128 0.19376 -0.00651 56 2PZ 0.04005 0.02775 -0.01146 -0.03660 0.11161 57 3S 0.02648 -0.01467 -0.01949 0.02025 -0.02549 58 3PX -0.01870 -0.04828 0.05323 0.01011 -0.00071 59 3PY 0.00178 0.01189 -0.02698 0.03488 -0.00850 60 3PZ 0.01993 0.01933 0.00381 -0.01032 0.07666 61 4XX -0.00020 0.00612 -0.00324 0.01629 0.00060 62 4YY -0.00141 -0.00962 0.00896 -0.02117 -0.00083 63 4ZZ -0.00120 0.00129 -0.00194 0.00064 0.00055 64 4XY 0.00002 0.00018 0.01111 0.00585 -0.00150 65 4XZ 0.00148 -0.00075 0.00224 -0.00348 -0.00193 66 4YZ 0.00036 -0.00071 -0.00244 -0.00045 0.00231 67 8 C 1S 0.00029 -0.00398 -0.00282 -0.01682 -0.01656 68 2S 0.00020 0.00616 0.00597 0.03620 0.02917 69 2PX 0.02836 0.00553 -0.19654 -0.17773 0.08154 70 2PY 0.07034 0.03813 0.20312 -0.19335 -0.03520 71 2PZ 0.06895 -0.02490 0.10223 0.04801 0.04279 72 3S -0.00599 0.02731 0.02233 0.10853 0.11058 73 3PX 0.01326 -0.00411 -0.09056 -0.11426 0.05519 74 3PY 0.03737 0.01369 0.08355 -0.09865 -0.03417 75 3PZ 0.03325 -0.01826 0.03836 0.02860 0.03013 76 4XX 0.00111 -0.00405 0.00101 0.01169 -0.00306 77 4YY 0.00388 0.00390 0.01731 -0.01557 -0.00169 78 4ZZ -0.00454 0.00090 -0.02001 -0.00137 0.00156 79 4XY -0.00220 -0.00557 0.00379 0.00378 -0.00195 80 4XZ 0.00206 -0.00244 0.00292 -0.00126 -0.00204 81 4YZ -0.00433 -0.00366 -0.01088 0.00336 -0.00099 82 9 C 1S -0.00451 0.01365 0.00389 -0.00461 0.00413 83 2S 0.00905 -0.02917 -0.00893 0.00950 -0.00259 84 2PX 0.00724 -0.12630 0.17898 0.08594 0.00529 85 2PY -0.08605 -0.21372 -0.18033 0.09716 0.00260 86 2PZ -0.09364 0.03151 -0.07893 -0.01836 -0.06940 87 3S 0.03328 -0.07743 0.00773 0.03648 -0.03816 88 3PX 0.01037 -0.07438 0.07674 0.04366 0.01806 89 3PY -0.04411 -0.09175 -0.07104 0.03748 0.00276 90 3PZ -0.05028 0.01774 -0.02996 -0.00930 0.00201 91 4XX 0.00212 -0.01102 0.00607 0.01068 0.00621 92 4YY 0.00311 0.01720 0.01297 -0.01136 -0.00189 93 4ZZ -0.00543 -0.00196 -0.01940 -0.00195 -0.00382 94 4XY -0.00300 0.00089 0.00360 0.00321 0.00145 95 4XZ 0.00201 0.00268 0.00270 0.00044 0.01401 96 4YZ -0.00528 -0.00439 -0.01122 0.00502 -0.00143 97 10 C 1S -0.00180 0.00417 -0.01366 -0.01213 -0.00195 98 2S 0.00238 -0.00753 0.03529 0.02587 0.00378 99 2PX 0.06390 0.12785 -0.13404 -0.11029 0.04294 100 2PY -0.18978 0.24655 0.03520 -0.08354 -0.00370 101 2PZ -0.02761 -0.01589 0.03466 0.02254 0.31639 102 3S 0.01868 -0.02223 0.01827 0.04682 0.01217 103 3PX 0.04908 0.02134 -0.03133 -0.03656 0.02803 104 3PY -0.04540 0.03969 0.00456 -0.01363 -0.00477 105 3PZ -0.01553 -0.00258 0.01411 0.01173 0.19713 106 4XX 0.00620 -0.01201 -0.00132 0.00362 0.00432 107 4YY -0.00716 0.01358 0.00335 -0.00514 -0.00083 108 4ZZ -0.00068 -0.00014 -0.00257 -0.00086 -0.00415 109 4XY -0.00814 0.00105 0.01129 0.00095 -0.00224 110 4XZ 0.00093 0.00277 0.00138 -0.00210 0.01347 111 4YZ 0.00348 -0.00073 -0.00204 -0.00078 -0.01391 112 11 C 1S 0.01339 -0.01665 -0.00264 0.00468 -0.00037 113 2S -0.02682 0.03372 0.00423 -0.00911 -0.00122 114 2PX -0.19348 -0.10615 0.03314 0.01846 -0.01579 115 2PY 0.18878 -0.23260 -0.04994 0.07958 0.00623 116 2PZ 0.07970 0.03135 0.02624 -0.04510 -0.09145 117 3S -0.08515 0.10423 0.02103 -0.03388 0.01316 118 3PX -0.11127 -0.05138 0.00450 0.01357 -0.00689 119 3PY 0.09428 -0.13503 -0.02875 0.05281 0.00870 120 3PZ 0.03342 0.01982 0.01230 -0.02789 -0.03660 121 4XX -0.00411 -0.01134 0.00148 0.00251 -0.00242 122 4YY -0.00243 0.00868 0.00042 -0.00264 -0.00073 123 4ZZ 0.01081 -0.00312 -0.00359 0.00211 0.00289 124 4XY -0.01163 -0.00231 0.00449 0.00208 -0.00188 125 4XZ -0.00546 -0.00095 -0.00026 0.00110 0.00544 126 4YZ 0.00525 0.00107 -0.00005 -0.00243 -0.01550 127 12 H 1S -0.09844 -0.09685 0.02441 0.02462 -0.02063 128 2S -0.04412 -0.09891 0.03484 0.02849 -0.03349 129 13 H 1S 0.03804 -0.03396 -0.03312 0.03304 0.08621 130 2S 0.03765 -0.03244 -0.03272 0.02166 0.10888 131 14 H 1S 0.15353 -0.00373 -0.01847 -0.01241 -0.06230 132 2S 0.14281 -0.01372 -0.02807 -0.01011 -0.09004 133 15 C 1S -0.00896 -0.00147 0.02682 0.00547 -0.00013 134 2S 0.02590 -0.00056 -0.05573 -0.00963 -0.00014 135 2PX 0.01732 0.01376 0.07539 0.00983 0.07978 136 2PY 0.25840 -0.09213 -0.04634 0.00366 0.00227 137 2PZ -0.00331 0.00698 -0.00876 -0.00108 0.36311 138 3S 0.00505 0.01335 -0.10907 -0.02426 0.00431 139 3PX -0.00042 0.03562 -0.00544 -0.01383 0.06207 140 3PY 0.05826 -0.00875 -0.01231 -0.00741 0.00186 141 3PZ 0.00026 0.00026 0.00833 0.00201 0.28166 142 4XX 0.00952 -0.01019 0.00571 0.00524 -0.00223 143 4YY -0.01815 0.01295 -0.00179 -0.00475 -0.00088 144 4ZZ 0.00058 -0.00093 0.00139 0.00066 0.00299 145 4XY -0.00797 0.00306 0.00258 -0.00030 0.00167 146 4XZ -0.00040 0.00188 -0.00182 -0.00106 -0.00829 147 4YZ 0.00177 -0.00045 -0.00035 0.00001 0.00774 148 16 C 1S -0.00743 0.01261 -0.01119 -0.00680 -0.00058 149 2S 0.01133 -0.02502 0.02187 0.01385 0.00206 150 2PX -0.08398 0.03912 -0.05829 -0.02582 -0.01183 151 2PY -0.11996 0.04119 -0.00688 -0.00813 0.00454 152 2PZ 0.04756 -0.00021 -0.00387 0.00540 0.00108 153 3S 0.06765 -0.07401 0.06057 0.03685 -0.00134 154 3PX -0.02038 0.03094 -0.05062 -0.02362 -0.00339 155 3PY -0.00219 0.00767 -0.01857 -0.00778 0.00076 156 3PZ 0.01937 -0.00091 -0.00039 0.00470 -0.01250 157 4XX 0.00829 0.00100 -0.00497 -0.00215 -0.00526 158 4YY -0.00460 -0.00044 0.00218 0.00111 -0.00233 159 4ZZ 0.00177 -0.00003 -0.00047 -0.00024 0.00726 160 4XY -0.01090 0.00775 -0.00221 -0.00233 -0.00137 161 4XZ -0.00028 -0.00059 0.00043 0.00054 -0.01871 162 4YZ 0.00356 -0.00093 -0.00078 0.00031 -0.01470 163 17 O 1S -0.02234 -0.00099 0.00008 0.00038 -0.00123 164 2S 0.04822 0.00451 -0.00443 -0.00263 0.00315 165 2PX 0.10178 0.03759 -0.07806 -0.03965 -0.03178 166 2PY 0.16619 -0.06954 0.05019 0.03136 -0.02202 167 2PZ 0.00436 0.00606 -0.01102 0.00572 -0.25366 168 3S 0.08559 -0.00012 0.01818 0.00548 0.00446 169 3PX 0.06567 0.02349 -0.05095 -0.02604 -0.02349 170 3PY 0.09385 -0.04180 0.02565 0.01801 -0.01548 171 3PZ 0.00195 0.00407 -0.00604 0.00357 -0.18583 172 4XX -0.00195 -0.00208 0.00231 0.00126 0.00090 173 4YY -0.00708 0.00271 -0.00420 -0.00199 0.00100 174 4ZZ 0.00214 0.00010 -0.00142 -0.00039 -0.00229 175 4XY -0.00504 -0.00005 0.00270 0.00111 0.00203 176 4XZ 0.00029 0.00024 -0.00040 -0.00042 0.00412 177 4YZ -0.00042 -0.00087 0.00096 -0.00011 0.00982 178 18 H 1S 0.04337 -0.02848 -0.00084 0.00577 -0.01072 179 2S 0.04440 -0.02768 -0.00374 0.00456 -0.01491 180 19 H 1S -0.17413 0.08237 -0.00637 -0.02134 -0.00257 181 2S -0.18717 0.10888 0.01042 -0.03232 -0.00709 182 20 H 1S -0.07119 -0.02993 -0.15777 0.00056 -0.06602 183 2S -0.05729 -0.02480 -0.16728 -0.00304 -0.08924 184 21 H 1S 0.04495 0.14900 0.12251 -0.08248 -0.01456 185 2S 0.02599 0.15865 0.12942 -0.10757 -0.01024 186 22 H 1S -0.05190 0.01138 -0.16999 -0.00646 0.01854 187 2S -0.04943 0.00575 -0.17942 -0.01094 -0.01764 188 23 H 1S 0.04388 0.03728 0.15342 -0.12267 -0.01245 189 2S 0.04254 0.03620 0.15180 -0.13480 -0.01266 190 24 H 1S -0.01093 -0.07124 0.05077 -0.15553 -0.00139 191 2S -0.02066 -0.08096 0.06125 -0.19737 -0.00517 192 25 H 1S -0.06099 -0.10693 0.03452 -0.05206 -0.00208 193 2S -0.05484 -0.11297 0.03630 -0.08410 -0.00172 194 26 H 1S 0.02968 0.02787 -0.05322 -0.03112 -0.01537 195 2S 0.02941 0.02672 -0.05668 -0.04026 -0.02281 196 27 H 1S 0.04030 0.03237 -0.04576 -0.03418 0.02464 197 2S 0.04070 0.03184 -0.04772 -0.04394 0.03550 41 42 43 44 45 O O V V V Eigenvalues -- -0.24274 -0.23469 -0.05567 0.02478 0.07794 1 1 C 1S -0.00093 -0.00097 0.00245 -0.00018 -0.00031 2 2S 0.00171 0.00178 -0.00475 0.00065 0.00346 3 2PX 0.01282 -0.00938 -0.00948 -0.00374 0.01652 4 2PY 0.00171 0.00181 -0.00477 0.00031 0.01466 5 2PZ 0.03461 -0.08039 0.00348 -0.02827 -0.00741 6 3S 0.00865 0.00549 -0.01559 -0.01337 -0.02952 7 3PX 0.00609 0.00237 -0.01145 -0.01890 0.03192 8 3PY 0.00328 0.00058 -0.00664 -0.00600 0.04187 9 3PZ 0.00543 -0.01297 -0.00112 -0.10180 -0.01984 10 4XX -0.00260 0.00544 0.00021 -0.00802 -0.00230 11 4YY 0.00017 0.00012 -0.00062 0.00030 0.00188 12 4ZZ 0.00219 -0.00576 0.00086 0.00758 0.00066 13 4XY 0.00017 0.00037 -0.00038 -0.00166 -0.00016 14 4XZ -0.00700 0.01631 -0.00191 -0.02283 -0.00082 15 4YZ -0.00047 0.00117 -0.00046 -0.00919 -0.00053 16 2 C 1S 0.00153 0.00105 -0.00430 0.00009 0.00324 17 2S -0.00300 -0.00218 0.01063 0.00105 -0.01379 18 2PX -0.03450 0.05433 0.00827 -0.08001 -0.00940 19 2PY 0.00146 -0.00147 -0.00649 0.00264 0.01683 20 2PZ -0.13504 0.32299 -0.03676 -0.42038 -0.02219 21 3S -0.00443 -0.01239 0.03306 -0.02897 -0.02044 22 3PX -0.01562 0.03602 0.00536 -0.12641 -0.00207 23 3PY 0.00514 0.00037 -0.00445 -0.01093 0.00546 24 3PZ -0.09200 0.22257 -0.04018 -0.50047 -0.02149 25 4XX -0.00170 0.00544 -0.00099 0.00504 0.00290 26 4YY -0.00006 -0.00041 0.00143 -0.00073 -0.00448 27 4ZZ 0.00243 -0.00526 -0.00032 -0.00582 -0.00015 28 4XY 0.00113 -0.00124 -0.00099 -0.00134 0.00167 29 4XZ -0.00702 0.01528 0.00070 0.01781 0.00070 30 4YZ 0.00388 -0.00899 0.00012 -0.01011 -0.00100 31 3 C 1S 0.00017 0.00075 -0.00204 0.00218 0.01307 32 2S -0.00042 -0.00167 0.00451 -0.00406 -0.02031 33 2PX 0.00683 -0.01678 0.00424 -0.00930 -0.00292 34 2PY 0.00093 0.00258 -0.00362 -0.00066 0.00430 35 2PZ 0.03464 -0.07443 0.00136 -0.02702 -0.00512 36 3S -0.00136 -0.00425 0.01627 -0.01703 -0.16733 37 3PX 0.00064 -0.00470 -0.00104 -0.02120 0.00696 38 3PY 0.00218 -0.00075 0.00374 -0.01158 -0.02398 39 3PZ 0.00679 -0.01765 -0.00286 -0.11695 -0.00019 40 4XX -0.00114 0.00278 -0.00044 -0.00230 0.00112 41 4YY -0.00018 0.00001 0.00010 0.00024 0.00097 42 4ZZ 0.00117 -0.00279 0.00025 0.00258 0.00064 43 4XY 0.00149 -0.00273 0.00027 0.00437 -0.00030 44 4XZ -0.00380 0.00852 -0.00055 -0.00755 -0.00027 45 4YZ 0.00599 -0.01419 0.00178 0.02553 0.00149 46 4 H 1S 0.00161 -0.00131 0.00078 0.00011 -0.00146 47 2S 0.00040 0.00280 -0.01029 0.02041 0.07397 48 5 H 1S -0.03212 0.07203 -0.00670 -0.07724 0.00028 49 2S -0.04950 0.11071 -0.02228 -0.27112 0.06929 50 6 H 1S 0.03115 -0.07011 0.00587 0.07776 0.00392 51 2S 0.04687 -0.10689 0.00788 0.28924 0.08872 52 7 C 1S -0.00273 -0.00167 0.00693 -0.00002 -0.00414 53 2S 0.00824 0.00183 -0.00936 -0.00784 -0.00153 54 2PX -0.01380 0.07808 -0.02896 0.08017 0.03800 55 2PY 0.00306 0.00481 -0.01380 0.00510 0.03986 56 2PZ -0.15420 0.33110 0.02194 0.39107 0.00967 57 3S -0.00348 0.02803 -0.08413 0.09749 0.06678 58 3PX -0.02146 0.05747 -0.03269 0.13590 0.09448 59 3PY -0.00503 0.01283 -0.03282 0.06576 0.11620 60 3PZ -0.11675 0.25241 0.02118 0.51931 0.01422 61 4XX 0.00144 -0.00483 0.00350 0.00915 -0.00438 62 4YY 0.00063 0.00002 -0.00079 -0.00035 0.00068 63 4ZZ -0.00237 0.00515 -0.00128 -0.00668 0.00079 64 4XY 0.00032 0.00158 -0.00126 -0.00321 -0.00039 65 4XZ 0.00570 -0.01493 0.00284 0.01939 0.00041 66 4YZ -0.00259 0.00508 0.00022 -0.01210 -0.00130 67 8 C 1S 0.00044 0.00350 -0.02246 0.00438 0.02110 68 2S -0.00110 -0.00881 0.04325 0.00013 -0.04995 69 2PX -0.01144 -0.04039 0.06704 -0.00009 -0.02955 70 2PY 0.01066 0.00572 -0.02688 -0.00939 0.01146 71 2PZ 0.03590 -0.09996 0.05626 0.01587 -0.03561 72 3S 0.01309 -0.01883 0.17891 -0.11559 -0.18658 73 3PX -0.01828 0.00246 0.02772 0.11097 0.06718 74 3PY 0.00252 0.01541 -0.06526 0.02726 0.05280 75 3PZ 0.01520 -0.04994 0.05873 0.02832 -0.02106 76 4XX 0.00438 -0.00351 -0.00601 -0.00704 0.00702 77 4YY -0.00012 0.00107 0.00131 0.00213 -0.00402 78 4ZZ -0.00458 0.00415 0.00156 0.00727 -0.00239 79 4XY 0.00060 -0.00037 -0.00161 -0.00188 0.00052 80 4XZ 0.00822 -0.01654 0.00019 -0.02649 -0.00103 81 4YZ -0.00047 0.00055 -0.00121 -0.00545 0.00218 82 9 C 1S -0.02088 0.01510 0.00040 0.03789 0.02230 83 2S 0.04531 -0.02601 -0.00204 -0.06586 -0.01900 84 2PX 0.03409 0.11559 -0.00749 0.06593 0.01691 85 2PY 0.01221 -0.01442 -0.00490 -0.01842 0.02856 86 2PZ -0.05073 0.07808 -0.01101 0.06235 -0.05891 87 3S 0.08738 -0.11625 0.03281 -0.40848 -0.40262 88 3PX 0.02185 0.03686 0.04352 -0.08713 -0.02032 89 3PY 0.00472 -0.03224 0.00643 -0.10156 0.08462 90 3PZ -0.02379 0.04791 0.03624 0.08785 -0.08739 91 4XX -0.00164 0.00265 0.00696 0.01066 -0.00403 92 4YY 0.00015 -0.00004 -0.00204 -0.00424 0.00555 93 4ZZ -0.00249 0.00063 -0.00534 -0.00076 0.00500 94 4XY 0.00086 0.00324 0.00151 0.00340 -0.00043 95 4XZ 0.00194 -0.00494 0.02001 -0.00087 -0.01585 96 4YZ -0.00172 0.00151 0.00196 0.00084 -0.00411 97 10 C 1S 0.00982 -0.00326 -0.00249 -0.01520 -0.00144 98 2S -0.01884 0.00432 0.00508 0.01395 -0.00302 99 2PX -0.04785 -0.07912 0.07225 -0.06015 -0.04603 100 2PY 0.01627 -0.00388 -0.00137 -0.01784 0.00065 101 2PZ 0.02416 -0.03797 0.37754 0.00352 -0.24381 102 3S -0.02476 0.05763 0.01234 0.24545 0.06606 103 3PX -0.05039 -0.07210 0.11235 -0.16617 -0.08213 104 3PY 0.02781 -0.00959 0.01062 -0.06102 -0.08856 105 3PZ 0.01381 -0.02507 0.38805 0.01175 -0.32411 106 4XX 0.00839 0.00068 -0.00385 -0.00476 0.00898 107 4YY -0.00425 -0.00239 -0.00001 -0.00074 -0.00234 108 4ZZ -0.00005 0.00201 0.00217 0.00120 -0.00580 109 4XY 0.00410 0.00421 0.00004 0.00175 -0.00556 110 4XZ 0.00058 -0.00601 -0.00519 -0.00204 0.01577 111 4YZ -0.00121 0.00196 0.00225 0.00001 -0.01865 112 11 C 1S -0.00718 -0.00172 0.00135 0.00340 0.01189 113 2S 0.01630 0.00460 0.00184 -0.00453 -0.01967 114 2PX 0.08645 0.04614 -0.01402 0.00630 -0.00263 115 2PY 0.02795 0.01637 0.00005 0.00133 -0.00422 116 2PZ -0.00914 0.00982 -0.02237 0.00954 -0.05574 117 3S 0.05447 0.01602 -0.03562 -0.04050 -0.11885 118 3PX 0.06803 0.04164 -0.02880 0.04279 -0.07144 119 3PY 0.05944 0.02323 0.00629 -0.01498 -0.05598 120 3PZ 0.01775 0.01501 0.03059 0.01952 -0.17200 121 4XX 0.00364 0.00239 -0.00358 0.00044 0.00585 122 4YY -0.00153 -0.00068 0.00016 0.00009 0.00131 123 4ZZ -0.00130 -0.00101 0.00459 0.00020 -0.00405 124 4XY 0.00447 0.00368 -0.00351 0.00200 0.00409 125 4XZ 0.00207 -0.00020 0.00185 0.00034 -0.00049 126 4YZ -0.00137 0.00210 -0.02046 0.00066 0.01833 127 12 H 1S 0.04245 0.02807 -0.02162 0.00642 0.03056 128 2S -0.04196 -0.00601 -0.00814 0.00495 0.19844 129 13 H 1S -0.00213 -0.01632 0.07713 -0.00328 -0.06419 130 2S -0.00724 -0.01488 0.18107 0.04956 -0.26585 131 14 H 1S -0.02682 -0.00393 -0.05288 -0.00182 0.04149 132 2S -0.05387 -0.00943 -0.14082 0.01427 0.29238 133 15 C 1S -0.03295 -0.00888 0.00013 0.00384 0.00563 134 2S 0.06654 0.01601 0.00184 -0.01578 -0.00754 135 2PX 0.18826 0.07675 -0.03319 0.00668 0.07808 136 2PY 0.03880 0.00697 -0.00268 -0.02135 0.02709 137 2PZ -0.01237 -0.11164 -0.16582 -0.01854 0.38178 138 3S 0.26142 0.09036 -0.01728 0.00460 -0.11091 139 3PX 0.14132 0.05415 -0.03819 0.01390 0.16154 140 3PY 0.02227 0.00555 -0.02695 -0.00343 0.06553 141 3PZ -0.00311 -0.08926 -0.21461 -0.03108 0.55692 142 4XX 0.00238 0.00323 -0.00838 0.00319 -0.00363 143 4YY -0.00658 -0.00463 -0.00044 -0.00389 -0.00085 144 4ZZ -0.00101 -0.00063 0.00941 -0.00109 0.00408 145 4XY 0.00316 0.00139 0.00089 -0.00035 -0.00214 146 4XZ -0.00123 0.00014 -0.02806 0.00178 -0.01008 147 4YZ 0.00036 -0.00153 0.01217 -0.00009 -0.01453 148 16 C 1S 0.00005 -0.00326 -0.00022 -0.00570 -0.00120 149 2S 0.01365 0.01296 0.00015 0.01226 0.00452 150 2PX -0.11178 -0.06176 -0.05683 -0.00483 -0.07025 151 2PY 0.05675 0.02123 -0.01933 -0.00508 -0.02023 152 2PZ 0.01611 -0.00048 -0.33259 0.04593 -0.39317 153 3S -0.03331 0.00026 0.00851 0.03430 -0.00765 154 3PX 0.07998 0.02718 -0.05693 0.00888 -0.07339 155 3PY 0.03560 0.01332 -0.01383 -0.01116 -0.02740 156 3PZ -0.01639 -0.00937 -0.32117 0.05295 -0.52459 157 4XX 0.02648 0.01244 0.00475 -0.00121 -0.00341 158 4YY -0.03050 -0.01277 0.00240 -0.00064 0.00080 159 4ZZ 0.00285 -0.00092 -0.00714 0.00031 0.00308 160 4XY 0.02928 0.01348 0.00419 0.00137 0.00179 161 4XZ -0.00789 0.00209 0.01618 0.00020 -0.01372 162 4YZ -0.00395 0.00242 0.02357 -0.00237 0.01334 163 17 O 1S 0.00004 0.00046 -0.00021 0.00001 0.00367 164 2S 0.00733 0.00180 0.00202 0.00020 -0.00769 165 2PX 0.45719 0.20237 0.04938 -0.00315 0.05586 166 2PY -0.25026 -0.09801 0.02397 -0.00295 0.00214 167 2PZ -0.08096 0.03472 0.32421 -0.03181 0.24445 168 3S -0.03963 -0.01805 -0.00462 0.00060 -0.02395 169 3PX 0.32942 0.14755 0.05167 -0.00443 0.06672 170 3PY -0.16479 -0.06471 0.02272 -0.00192 0.00890 171 3PZ -0.05857 0.02740 0.31937 -0.03547 0.28924 172 4XX -0.01006 -0.00427 0.00013 -0.00014 0.00065 173 4YY 0.01300 0.00494 0.00011 -0.00004 0.00235 174 4ZZ 0.00175 0.00129 0.00128 0.00031 0.00006 175 4XY -0.00907 -0.00410 0.00001 0.00021 0.00016 176 4XZ 0.00329 0.00037 -0.00099 0.00009 0.00036 177 4YZ 0.00145 -0.00182 -0.00162 -0.00042 0.00758 178 18 H 1S -0.16082 -0.07006 0.00260 -0.00736 -0.00531 179 2S -0.24871 -0.11243 0.00402 -0.04431 -0.01627 180 19 H 1S -0.03553 -0.02158 -0.00428 -0.00991 -0.00046 181 2S -0.07569 -0.03821 -0.02050 -0.03338 0.10618 182 20 H 1S -0.02380 0.01094 -0.05851 -0.00573 0.03440 183 2S -0.05664 0.05106 -0.14922 0.08208 0.29022 184 21 H 1S 0.00473 0.00066 -0.00990 -0.02298 0.01631 185 2S -0.01034 0.00812 -0.02982 0.02729 0.27731 186 22 H 1S -0.04336 0.06965 0.00550 0.07090 0.00389 187 2S -0.06148 0.09692 -0.03830 0.20341 0.05099 188 23 H 1S 0.00163 0.00898 0.00605 0.00588 -0.02084 189 2S -0.00062 0.00157 0.01398 0.03662 -0.01624 190 24 H 1S 0.00155 -0.00133 -0.00128 -0.00292 0.00149 191 2S -0.00159 0.00119 -0.01323 0.02912 0.12303 192 25 H 1S 0.00063 0.00055 -0.00213 0.00097 0.00733 193 2S 0.00087 -0.00052 -0.00407 -0.00027 0.05853 194 26 H 1S 0.03096 -0.07584 0.00855 0.07349 0.00125 195 2S 0.04696 -0.11843 0.02196 0.26435 0.03342 196 27 H 1S -0.03413 0.07309 -0.00401 -0.07424 -0.00692 197 2S -0.05234 0.11446 -0.00945 -0.26126 -0.00873 46 47 48 49 50 V V V V V Eigenvalues -- 0.08306 0.10008 0.10333 0.12263 0.13392 1 1 C 1S -0.03795 -0.07284 0.03555 0.04415 -0.00742 2 2S 0.04532 0.08907 -0.03039 -0.05876 -0.00066 3 2PX -0.05550 -0.09101 0.08075 0.06137 -0.06411 4 2PY -0.00967 -0.02275 0.09843 -0.12223 0.04175 5 2PZ 0.00617 0.01724 -0.01805 -0.02551 0.01330 6 3S 0.58714 1.16181 -0.69948 -0.66351 0.20754 7 3PX -0.15220 -0.30739 0.21331 0.22856 -0.19166 8 3PY -0.09879 -0.10321 0.24232 -0.37069 0.20381 9 3PZ 0.03554 0.05068 -0.05116 -0.05365 0.06271 10 4XX 0.00166 -0.00455 0.00079 0.00659 -0.00343 11 4YY -0.00889 -0.00519 0.00080 -0.00242 0.00839 12 4ZZ -0.00244 -0.00724 0.00722 0.00528 -0.00708 13 4XY 0.00057 0.00311 -0.00492 0.00133 0.00167 14 4XZ -0.00170 -0.00148 0.00047 -0.00069 0.00111 15 4YZ -0.00079 -0.00071 0.00068 -0.00098 -0.00018 16 2 C 1S 0.00566 -0.00157 0.00535 -0.00342 -0.00129 17 2S 0.02045 0.03131 -0.01907 -0.01054 0.01751 18 2PX -0.01734 -0.00082 0.02352 -0.03304 -0.00836 19 2PY -0.01548 0.00412 0.02980 -0.04960 0.01691 20 2PZ -0.01408 -0.00718 -0.01490 -0.01163 0.01919 21 3S -0.11863 0.07761 -0.13760 0.01860 -0.00195 22 3PX -0.06861 0.06839 -0.04895 -0.18678 0.05701 23 3PY 0.01919 0.00725 -0.03732 0.08587 -0.00529 24 3PZ -0.03203 -0.01821 -0.00211 -0.00156 -0.00087 25 4XX -0.00048 0.00917 0.00287 -0.01847 0.00989 26 4YY 0.01190 0.00505 -0.00748 0.00858 -0.00312 27 4ZZ -0.00233 -0.00447 0.00183 0.00317 -0.00174 28 4XY -0.00028 -0.00204 0.01016 -0.00118 -0.01044 29 4XZ 0.00078 -0.00223 0.00126 0.00669 -0.00268 30 4YZ -0.00157 0.00090 -0.00206 -0.00306 -0.00094 31 3 C 1S -0.08261 -0.05516 0.01144 0.01279 0.02400 32 2S 0.11141 0.07225 -0.02631 0.00859 -0.04038 33 2PX 0.04831 -0.07288 0.11654 0.06891 -0.13507 34 2PY 0.07666 0.06477 0.05780 -0.08664 -0.03676 35 2PZ -0.01227 0.01577 -0.02148 -0.03733 0.00664 36 3S 1.17054 0.85573 -0.06772 -0.45154 -0.27174 37 3PX 0.09710 -0.20296 0.31824 0.19052 -0.43994 38 3PY 0.29527 0.25213 0.05604 -0.16837 -0.08744 39 3PZ -0.06462 0.07609 -0.04687 -0.14172 -0.06861 40 4XX -0.00918 -0.00542 0.00093 -0.00114 0.00493 41 4YY -0.00303 -0.00124 0.00228 -0.00216 0.00213 42 4ZZ -0.00621 -0.00543 0.00000 0.00701 -0.00276 43 4XY 0.00247 -0.00159 -0.00160 0.00391 0.00356 44 4XZ -0.00025 0.00075 0.00052 -0.00034 -0.00478 45 4YZ 0.00121 0.00048 0.00094 0.00129 -0.00043 46 4 H 1S -0.01792 -0.01614 -0.01397 0.00707 0.04649 47 2S -0.69638 -0.23207 -0.35836 0.04197 0.63560 48 5 H 1S -0.02134 -0.00375 0.00430 -0.00638 -0.02997 49 2S -0.54422 -0.51128 0.24286 0.20446 -0.27404 50 6 H 1S -0.00326 -0.01146 0.00281 0.02018 0.00387 51 2S -0.43510 -0.57773 0.23079 0.44497 0.00131 52 7 C 1S -0.01106 -0.02660 0.04401 -0.02593 -0.00966 53 2S 0.02965 0.06741 -0.07028 0.03717 0.02013 54 2PX -0.02065 0.02061 0.00851 0.03809 -0.02105 55 2PY -0.06412 0.00125 0.14066 -0.16786 0.02390 56 2PZ 0.04491 -0.00701 0.01340 0.04525 0.04672 57 3S 0.21022 0.19593 -0.61175 0.54907 0.06886 58 3PX -0.09215 0.13560 -0.06103 -0.15425 0.04378 59 3PY -0.18573 -0.06413 0.45176 -0.41911 0.03302 60 3PZ 0.10854 -0.04483 0.01299 0.14741 0.01946 61 4XX 0.00276 -0.00162 -0.00399 0.00983 -0.00312 62 4YY 0.00272 0.00154 0.00739 -0.00608 -0.00162 63 4ZZ -0.00189 -0.00072 0.00329 -0.00473 0.00320 64 4XY 0.00525 -0.00303 0.00351 0.00008 -0.00153 65 4XZ -0.00093 -0.00075 0.00130 -0.00567 0.00154 66 4YZ -0.00413 0.00128 -0.00022 -0.00476 -0.00108 67 8 C 1S -0.05913 0.00910 -0.02651 -0.04564 0.06932 68 2S 0.07395 -0.01844 0.03949 0.05156 -0.07388 69 2PX 0.00590 0.02999 -0.02624 0.03753 -0.06848 70 2PY 0.14409 0.01454 0.14032 -0.07007 -0.05454 71 2PZ -0.07694 0.02856 0.02604 -0.11048 0.02100 72 3S 0.93704 -0.11932 0.34150 0.83583 -1.13191 73 3PX 0.04322 0.14715 -0.10523 0.12029 -0.21567 74 3PY 0.37486 -0.03372 0.20665 -0.14018 -0.11070 75 3PZ -0.26153 0.15850 0.08520 -0.32773 -0.11453 76 4XX -0.00752 0.00638 0.00088 -0.00265 0.00219 77 4YY -0.00465 0.00011 -0.00739 0.00066 -0.00053 78 4ZZ 0.00032 -0.00478 0.00274 -0.00700 0.01331 79 4XY 0.00447 0.00793 -0.00270 0.00497 0.00008 80 4XZ -0.00069 0.00056 0.00028 0.00043 0.00069 81 4YZ -0.00495 0.00332 0.00796 -0.00577 -0.00161 82 9 C 1S -0.02964 0.03307 0.01355 -0.02808 -0.07664 83 2S 0.03656 -0.02525 0.00158 0.05372 0.07772 84 2PX -0.03172 0.07871 0.02701 0.09254 -0.08824 85 2PY -0.01700 0.11150 0.17456 -0.04216 0.05848 86 2PZ 0.10713 -0.04668 0.01328 0.02504 0.11892 87 3S 0.51778 -0.66332 -0.37343 0.34450 1.33769 88 3PX -0.12734 0.23652 -0.00232 0.16982 -0.44030 89 3PY -0.13644 0.31160 0.44889 -0.12846 0.24959 90 3PZ 0.37921 -0.10050 0.02842 0.17730 0.28497 91 4XX -0.00194 -0.00413 -0.00091 -0.00802 -0.00504 92 4YY -0.00322 0.00941 0.00580 -0.00298 -0.00323 93 4ZZ -0.00030 0.00254 -0.00102 0.00580 -0.01024 94 4XY -0.00280 -0.00087 -0.00422 0.00228 0.00784 95 4XZ -0.00337 0.00319 0.00384 0.00397 -0.00604 96 4YZ -0.00943 0.00100 -0.00302 -0.00129 -0.00053 97 10 C 1S 0.00031 0.00859 0.00317 0.00702 -0.00865 98 2S 0.02198 -0.03706 0.00524 -0.01588 0.02341 99 2PX -0.00789 0.04359 0.02604 0.04529 -0.02817 100 2PY -0.01613 0.04558 0.03163 0.03731 0.03968 101 2PZ -0.07220 0.02701 0.04551 -0.05317 -0.03947 102 3S -0.00956 -0.10789 -0.09733 0.09733 0.36638 103 3PX -0.05621 0.00469 -0.06232 0.12695 0.16511 104 3PY 0.00788 0.00776 -0.10102 -0.04482 -0.12221 105 3PZ -0.14101 0.06001 0.09475 -0.08173 -0.20914 106 4XX 0.00047 0.01074 0.01223 0.01516 0.01753 107 4YY 0.00841 -0.01705 -0.00742 -0.00990 -0.00309 108 4ZZ -0.00319 0.00267 -0.00132 -0.00046 -0.00625 109 4XY -0.00284 0.00076 -0.00396 0.00688 -0.00974 110 4XZ -0.00041 -0.00221 -0.00690 -0.00702 -0.00215 111 4YZ -0.00650 0.00179 0.00081 -0.00477 0.00042 112 11 C 1S -0.06040 0.05620 -0.02549 0.00951 -0.01385 113 2S 0.07679 -0.09134 0.01152 -0.02350 0.01165 114 2PX -0.07438 0.05131 -0.04299 0.03479 -0.05181 115 2PY 0.06424 -0.00089 0.10988 0.02460 0.09069 116 2PZ -0.01491 -0.00625 -0.04040 -0.04156 0.11322 117 3S 0.86723 -0.68824 0.61040 -0.04893 0.34667 118 3PX -0.13111 0.12087 -0.04483 0.10674 -0.26598 119 3PY 0.21359 -0.11389 0.20014 0.03647 0.27617 120 3PZ -0.06029 -0.00117 -0.12363 -0.12336 0.32447 121 4XX -0.00853 0.00519 -0.00501 -0.00337 0.00365 122 4YY -0.00305 0.00384 0.00218 0.00340 0.00368 123 4ZZ -0.00460 0.00239 -0.00380 0.00048 -0.00836 124 4XY -0.00005 -0.00340 -0.00259 -0.00744 0.00233 125 4XZ -0.00145 -0.00052 -0.00273 -0.00264 0.00181 126 4YZ 0.00671 -0.00202 -0.00346 0.00543 0.00455 127 12 H 1S -0.01739 0.00321 -0.01971 -0.02637 0.01641 128 2S -0.19223 0.12859 -0.18879 -0.17034 0.06931 129 13 H 1S -0.02586 0.01455 -0.00041 -0.00735 -0.02777 130 2S -0.59123 0.40346 -0.42567 -0.07817 -0.00289 131 14 H 1S 0.02106 0.00638 0.00159 0.03484 -0.02241 132 2S -0.45927 0.41998 -0.26557 0.26945 -0.70682 133 15 C 1S -0.01534 0.03039 0.01983 0.01803 -0.01153 134 2S 0.03964 -0.06024 -0.02527 -0.01211 0.04668 135 2PX -0.02135 0.05503 0.02123 0.07519 0.04365 136 2PY -0.03437 0.15633 0.15284 0.11358 0.07215 137 2PZ 0.05518 -0.04404 -0.05843 -0.01508 0.04934 138 3S 0.17237 -0.38705 -0.33283 -0.38502 -0.18251 139 3PX -0.02821 0.16244 0.13393 0.37855 0.32896 140 3PY -0.10442 0.44474 0.43328 0.17899 -0.07521 141 3PZ 0.13836 -0.09524 -0.11578 -0.01732 0.04741 142 4XX 0.00205 -0.00724 -0.00321 -0.00977 -0.01111 143 4YY 0.00043 0.00676 0.00494 0.01501 0.00611 144 4ZZ -0.00033 0.00195 0.00186 0.00167 0.00251 145 4XY -0.00362 0.00701 0.00589 0.00432 0.00310 146 4XZ -0.00294 0.00185 0.00022 0.00193 0.00296 147 4YZ -0.00400 0.00036 0.00056 -0.00460 -0.00236 148 16 C 1S -0.00163 0.02169 0.01830 0.05163 0.04938 149 2S 0.00568 -0.03660 -0.02290 -0.08229 -0.07774 150 2PX -0.00176 -0.03496 -0.04291 -0.06445 -0.05007 151 2PY -0.02084 0.08860 0.07600 0.14029 0.12136 152 2PZ -0.05194 0.02853 0.04884 -0.00134 -0.04302 153 3S 0.00319 -0.33400 -0.35172 -0.82362 -0.74804 154 3PX -0.03173 -0.00125 -0.02636 -0.11235 -0.11567 155 3PY -0.05977 0.18510 0.11532 0.36234 0.36409 156 3PZ -0.08005 0.02616 0.05513 -0.02945 -0.06051 157 4XX -0.00221 0.00583 0.00444 0.00636 0.00563 158 4YY 0.00154 -0.00234 -0.00171 0.00262 0.00355 159 4ZZ -0.00061 0.00180 0.00131 0.00053 0.00088 160 4XY 0.00218 -0.00805 -0.00746 -0.00458 -0.00067 161 4XZ -0.00085 0.00064 0.00258 -0.00041 -0.00461 162 4YZ 0.00070 0.00123 0.00030 0.00075 0.00066 163 17 O 1S -0.00754 0.00924 -0.00018 -0.00205 -0.00312 164 2S 0.01418 -0.02296 -0.00644 0.00356 0.01836 165 2PX -0.02365 0.05444 0.02534 0.03531 0.00595 166 2PY 0.01316 -0.01746 0.00214 -0.03561 -0.03536 167 2PZ 0.04242 -0.02627 -0.02628 0.00696 0.01897 168 3S 0.07375 -0.07712 0.02260 0.00294 -0.02741 169 3PX -0.03223 0.07054 0.02658 0.06075 0.04847 170 3PY -0.00323 -0.00932 -0.01516 -0.06003 -0.05381 171 3PZ 0.05494 -0.03401 -0.03110 0.00548 0.02328 172 4XX -0.00224 0.00320 0.00080 0.00294 0.00364 173 4YY -0.00132 -0.00110 -0.00382 -0.00240 0.00266 174 4ZZ -0.00234 0.00015 -0.00295 -0.00294 0.00128 175 4XY 0.00235 -0.00254 0.00092 -0.00062 0.00024 176 4XZ -0.00007 -0.00051 -0.00059 -0.00084 -0.00108 177 4YZ -0.00010 0.00005 -0.00172 -0.00075 0.00172 178 18 H 1S -0.00042 0.02193 0.02508 0.03788 0.03521 179 2S -0.05133 0.40696 0.37356 0.84846 0.78346 180 19 H 1S -0.00880 0.03864 0.02400 0.05115 0.01761 181 2S -0.24232 0.81662 0.70526 0.60335 0.17043 182 20 H 1S -0.00614 -0.00185 -0.02417 0.00450 -0.03614 183 2S -0.54095 0.21982 -0.23489 -0.08998 -1.10385 184 21 H 1S 0.00130 0.03551 0.03485 -0.01311 -0.00329 185 2S -0.30821 0.65112 0.74425 -0.37397 -0.25511 186 22 H 1S 0.00246 -0.01486 0.03272 -0.03822 0.03759 187 2S -0.41096 0.10740 0.21913 -0.83203 0.48984 188 23 H 1S -0.01541 -0.00712 -0.05440 0.02082 0.00908 189 2S -0.73743 0.08136 -0.61771 -0.02548 0.49385 190 24 H 1S 0.01638 -0.00873 0.04057 -0.02777 -0.01177 191 2S -0.24424 -0.16687 0.86077 -0.81050 -0.01380 192 25 H 1S -0.03013 -0.01383 0.00643 -0.02188 0.03606 193 2S -0.30883 -0.48073 0.47751 -0.26038 0.26145 194 26 H 1S 0.00701 -0.01082 0.01705 0.01781 -0.02974 195 2S -0.27925 -0.60541 0.33780 0.56282 -0.30983 196 27 H 1S 0.00386 -0.01618 0.01102 0.01684 -0.01709 197 2S -0.29380 -0.62211 0.30737 0.51156 -0.25826 51 52 53 54 55 V V V V V Eigenvalues -- 0.14117 0.15157 0.15491 0.16203 0.17117 1 1 C 1S 0.04402 -0.06799 -0.07590 0.03013 -0.00095 2 2S -0.05904 0.06277 0.09808 -0.04110 0.00022 3 2PX -0.06547 -0.11554 0.01108 0.05256 -0.03703 4 2PY 0.22187 -0.01068 0.02504 -0.08506 -0.02851 5 2PZ 0.00426 0.00411 -0.00990 -0.00836 -0.29532 6 3S -0.66313 1.31857 1.16007 -0.42816 0.04194 7 3PX -0.22574 -0.23434 0.15148 0.12346 -0.11441 8 3PY 0.68458 0.13737 0.10000 -0.26323 -0.07791 9 3PZ 0.02504 -0.02232 -0.06979 -0.11479 -0.96040 10 4XX 0.00061 -0.00643 -0.00761 0.00345 0.00441 11 4YY 0.01326 0.00133 -0.00857 -0.00175 -0.00251 12 4ZZ -0.00347 -0.01021 -0.00022 0.00585 -0.00155 13 4XY -0.00201 0.00143 -0.00455 0.00032 0.00133 14 4XZ -0.00125 -0.00214 0.00140 -0.00749 0.00845 15 4YZ 0.00015 -0.00012 0.00136 -0.00044 0.01268 16 2 C 1S 0.00369 -0.00297 0.02196 0.02023 0.00769 17 2S 0.02711 0.00735 -0.04682 -0.04471 -0.01223 18 2PX -0.02228 0.02191 0.05648 -0.06520 0.03190 19 2PY 0.01304 0.03843 0.08211 -0.07830 -0.02189 20 2PZ -0.00500 -0.01685 -0.00641 -0.02347 0.16626 21 3S -0.29115 0.03012 -0.28792 -0.23611 -0.10409 22 3PX -0.02470 0.27314 0.20131 -0.02837 0.15957 23 3PY -0.13747 0.29443 0.28162 -0.20266 -0.04579 24 3PZ 0.00125 -0.03740 -0.01315 -0.04167 0.56853 25 4XX 0.01736 0.00710 0.00288 -0.00467 -0.00093 26 4YY -0.00637 -0.00317 -0.00545 0.00864 0.00341 27 4ZZ -0.00333 -0.00223 0.00159 -0.00218 -0.00034 28 4XY -0.01316 -0.00455 0.01866 -0.00478 0.00058 29 4XZ -0.00376 -0.00079 0.00024 0.00624 0.00074 30 4YZ 0.00110 0.00125 -0.00270 0.00984 0.00022 31 3 C 1S -0.02695 0.06732 0.02716 -0.04728 -0.01341 32 2S 0.00897 -0.07957 -0.03053 0.05325 0.01601 33 2PX -0.12611 -0.05450 0.17289 -0.05222 -0.06514 34 2PY 0.07566 -0.08668 0.02211 -0.03454 -0.00949 35 2PZ 0.00678 0.00112 -0.03020 0.13783 -0.29074 36 3S 0.66897 -1.17347 -0.47734 0.72013 0.20785 37 3PX -0.47118 -0.11876 0.57577 -0.11119 -0.19404 38 3PY 0.07040 -0.12012 0.11099 -0.22036 -0.05645 39 3PZ 0.03923 0.02900 -0.10020 0.50730 -0.93191 40 4XX 0.00294 0.00523 -0.00092 0.00243 -0.00087 41 4YY 0.00427 0.00276 -0.00009 -0.01009 -0.00365 42 4ZZ -0.01275 0.00433 0.00822 -0.00517 0.00132 43 4XY 0.00975 -0.00073 -0.01189 0.00378 -0.00394 44 4XZ -0.00395 0.00036 0.00259 0.00620 -0.00377 45 4YZ -0.00095 0.00032 0.00153 -0.00122 -0.01496 46 4 H 1S 0.05216 0.00387 -0.07454 0.01779 -0.00363 47 2S 0.31500 0.64789 -0.63607 0.08300 -0.03772 48 5 H 1S -0.04566 0.02034 0.04352 0.02780 -0.00573 49 2S -0.65082 0.41809 0.58068 0.15604 -1.03901 50 6 H 1S -0.03889 0.01316 0.03742 -0.04768 0.01157 51 2S -0.54400 0.41511 0.56562 -0.88032 0.88899 52 7 C 1S 0.00889 0.00607 0.01413 -0.00708 0.00750 53 2S 0.01865 0.01000 -0.04106 -0.00308 -0.00791 54 2PX -0.05449 -0.04631 0.04595 -0.04865 -0.02597 55 2PY 0.10914 -0.02230 0.06127 -0.08717 -0.01073 56 2PZ 0.02867 0.01079 -0.00738 0.00630 -0.02269 57 3S -0.32852 -0.34457 -0.07624 0.05546 -0.19686 58 3PX -0.22811 -0.19610 0.05080 -0.17590 -0.13488 59 3PY 0.33061 -0.20162 0.12677 -0.32201 -0.07844 60 3PZ 0.08451 0.04075 -0.05012 -0.12105 -0.24322 61 4XX 0.00071 -0.00882 -0.01200 -0.00290 -0.00451 62 4YY 0.00177 0.00611 0.01560 -0.00344 0.00115 63 4ZZ 0.00127 0.00074 0.00018 -0.00127 0.00317 64 4XY 0.00721 -0.00538 0.00049 0.01346 0.00380 65 4XZ -0.00129 0.00103 0.00471 0.00740 -0.00607 66 4YZ -0.00259 0.00147 0.00238 0.00882 0.00616 67 8 C 1S -0.03847 -0.01618 0.02355 0.02745 0.01268 68 2S 0.04975 -0.01078 -0.03238 -0.03279 -0.01151 69 2PX 0.00779 0.08137 -0.01078 -0.09927 -0.04481 70 2PY -0.01918 -0.03890 0.11932 0.09673 0.02400 71 2PZ -0.05334 -0.03973 0.04526 0.21995 0.03983 72 3S 0.66270 0.42323 -0.31540 -0.51526 -0.23259 73 3PX 0.02720 -0.18191 -0.04457 -0.46803 -0.29501 74 3PY -0.07368 -0.22078 0.41645 0.34186 0.02388 75 3PZ -0.12504 0.05490 0.07888 0.84865 0.17079 76 4XX 0.00461 -0.00202 0.00924 -0.00377 0.00035 77 4YY -0.00612 0.00166 -0.00341 0.00309 -0.00005 78 4ZZ -0.00407 -0.00781 0.00107 0.00584 0.00248 79 4XY -0.00975 -0.01144 -0.00759 -0.00639 -0.00221 80 4XZ -0.00089 -0.00136 -0.00149 -0.00392 0.00711 81 4YZ -0.00372 0.00491 -0.00630 0.00515 0.00232 82 9 C 1S -0.02047 0.02058 -0.04036 -0.00357 -0.02633 83 2S 0.04460 -0.02040 0.06852 0.00236 0.03112 84 2PX 0.06671 0.07233 0.00680 0.03954 -0.01519 85 2PY -0.13045 -0.03324 -0.13632 -0.08912 0.01727 86 2PZ -0.05396 -0.09017 -0.02923 -0.01155 -0.01571 87 3S 0.20613 -0.41356 0.54074 0.03489 0.40967 88 3PX 0.20510 0.27908 -0.11465 0.24708 0.07500 89 3PY -0.40223 -0.03497 -0.54306 -0.29881 0.06218 90 3PZ -0.06384 -0.35106 -0.07324 -0.18933 -0.11834 91 4XX -0.00305 0.00041 -0.00253 0.01067 -0.00238 92 4YY -0.00771 -0.00314 -0.00595 -0.00382 0.00119 93 4ZZ 0.00660 0.00592 0.00130 -0.00876 -0.00474 94 4XY -0.00327 -0.00295 -0.00387 -0.01306 -0.00554 95 4XZ 0.00302 0.00403 -0.00340 0.00016 0.00199 96 4YZ 0.00307 0.00577 -0.00110 0.00281 0.00262 97 10 C 1S 0.00420 0.01719 -0.00656 0.00464 0.00754 98 2S -0.02218 0.01477 -0.03933 0.00165 0.00191 99 2PX 0.04365 0.02717 0.01608 0.00526 0.04107 100 2PY 0.00007 -0.04416 0.00389 -0.04498 0.00371 101 2PZ -0.00749 0.05113 -0.00096 0.03217 0.01471 102 3S 0.09817 -0.45070 0.48401 -0.26197 -0.28576 103 3PX 0.10329 0.07373 -0.00638 0.01003 0.08623 104 3PY 0.03736 -0.23556 0.07394 -0.11480 0.08471 105 3PZ 0.02614 0.20092 -0.05523 0.05919 0.05506 106 4XX -0.00090 -0.00101 -0.00093 -0.00927 0.00008 107 4YY -0.00200 0.00992 -0.00616 0.00331 0.00021 108 4ZZ 0.00158 -0.00092 -0.00016 0.00207 -0.00017 109 4XY 0.01535 0.00468 0.01499 0.01471 0.00449 110 4XZ -0.00207 -0.00491 0.00464 -0.00037 -0.00235 111 4YZ -0.00321 -0.00137 0.00040 -0.00478 -0.00200 112 11 C 1S 0.00961 -0.09060 0.02407 -0.04282 0.00197 113 2S 0.00120 0.11054 -0.01526 0.06156 0.00190 114 2PX 0.08431 -0.00998 0.09568 0.06441 0.02707 115 2PY -0.05474 0.06853 -0.04927 -0.00163 -0.02138 116 2PZ -0.07786 -0.14903 0.06059 -0.07933 -0.06084 117 3S -0.26419 1.54370 -0.54272 0.66063 -0.06287 118 3PX 0.35192 -0.10524 0.45102 0.22041 0.10382 119 3PY -0.11491 0.09219 -0.08368 -0.07291 -0.04190 120 3PZ -0.22277 -0.46700 0.19739 -0.25965 -0.20042 121 4XX -0.00760 -0.00564 -0.00889 -0.00779 -0.00134 122 4YY 0.00146 -0.00450 0.00135 -0.00112 0.00113 123 4ZZ 0.00843 -0.00680 0.01120 0.00239 0.00147 124 4XY -0.00833 -0.00296 -0.00761 -0.00609 -0.00372 125 4XZ -0.00298 -0.00403 0.00110 -0.00373 -0.00290 126 4YZ 0.00127 -0.00472 0.00109 0.00006 -0.00018 127 12 H 1S -0.04786 -0.01326 -0.05651 -0.03747 -0.01501 128 2S -0.34357 -0.49585 -0.37931 -0.54278 -0.10114 129 13 H 1S 0.01955 -0.02781 0.04663 -0.00777 -0.00273 130 2S 0.06235 -1.17155 0.67230 -0.39446 -0.12796 131 14 H 1S 0.04438 -0.01048 0.03511 0.02669 0.02200 132 2S 0.64339 -0.25003 0.34971 0.19900 0.31825 133 15 C 1S 0.00451 0.00831 -0.00941 0.02337 0.00912 134 2S -0.00943 0.00494 0.00002 -0.05751 -0.02038 135 2PX 0.04241 -0.01133 0.06755 0.04232 -0.00792 136 2PY -0.03590 0.03225 -0.07276 0.00624 0.01006 137 2PZ -0.00910 -0.04004 0.03057 0.03712 0.00676 138 3S -0.03105 -0.19042 0.18070 -0.26630 -0.07341 139 3PX 0.14864 0.01263 0.22714 -0.04102 -0.12319 140 3PY -0.15019 0.11688 -0.31855 0.09826 0.10315 141 3PZ -0.03310 -0.10288 -0.00092 -0.01245 -0.01123 142 4XX -0.00302 0.00857 -0.00705 0.00677 0.00073 143 4YY 0.00793 0.00001 0.00580 -0.00290 0.00210 144 4ZZ -0.00098 -0.00016 -0.00147 -0.00172 -0.00091 145 4XY -0.00172 0.00252 -0.00333 -0.00101 -0.00137 146 4XZ 0.00034 -0.00296 0.00196 -0.00252 -0.00076 147 4YZ -0.00094 0.00096 0.00118 0.00021 0.00068 148 16 C 1S 0.02334 0.00281 0.04361 0.00175 -0.01625 149 2S -0.03947 0.01138 -0.07265 0.00391 0.01996 150 2PX -0.02012 -0.05479 -0.04049 -0.07314 0.03007 151 2PY 0.04015 0.01766 0.07707 0.01668 -0.04384 152 2PZ 0.00723 0.03958 -0.01971 0.00255 0.00234 153 3S -0.37256 -0.17660 -0.68518 -0.11792 0.28542 154 3PX -0.07271 -0.09402 -0.13117 -0.17371 0.03638 155 3PY 0.12983 -0.03938 0.27363 -0.05591 -0.16185 156 3PZ 0.00490 0.06298 -0.01957 0.02055 0.00932 157 4XX 0.00059 -0.00033 0.00043 -0.00291 -0.00157 158 4YY 0.00382 0.00005 0.00692 0.00051 -0.00193 159 4ZZ -0.00139 0.00014 -0.00144 0.00058 -0.00039 160 4XY 0.00207 -0.00185 0.00606 0.00013 -0.00234 161 4XZ 0.00064 0.00390 -0.00260 -0.00012 0.00067 162 4YZ -0.00049 -0.00012 -0.00061 0.00048 0.00065 163 17 O 1S -0.00754 -0.01155 -0.01183 -0.01194 0.00039 164 2S 0.01413 0.01362 0.03165 0.01100 -0.00934 165 2PX -0.00114 -0.00254 -0.01244 0.01153 0.00117 166 2PY -0.01820 0.01347 -0.03707 0.00564 0.01926 167 2PZ 0.01104 -0.00328 0.02315 0.01896 0.00224 168 3S 0.06652 0.15526 0.07402 0.17592 0.03201 169 3PX -0.00356 -0.02637 0.00308 -0.00836 -0.02156 170 3PY -0.04218 -0.03773 -0.07199 -0.05034 0.02056 171 3PZ 0.00697 -0.00475 0.02174 0.01944 0.00135 172 4XX 0.00019 -0.00220 0.00169 -0.00282 -0.00225 173 4YY -0.00288 -0.00600 -0.00141 -0.00743 -0.00199 174 4ZZ -0.00335 -0.00658 -0.00184 -0.00745 -0.00230 175 4XY 0.00036 0.00470 0.00091 0.00448 0.00014 176 4XZ 0.00015 -0.00002 -0.00037 0.00014 0.00057 177 4YZ -0.00155 -0.00333 -0.00020 -0.00205 -0.00073 178 18 H 1S 0.01155 0.01008 0.02173 0.00257 -0.00901 179 2S 0.33452 0.15041 0.64488 0.16522 -0.30191 180 19 H 1S 0.01524 -0.00736 0.00050 -0.01324 0.00913 181 2S -0.06508 0.14669 -0.31000 0.20545 0.13241 182 20 H 1S 0.02545 0.03615 0.00556 -0.00755 -0.00656 183 2S 0.34150 0.68748 0.08733 0.27645 -0.11245 184 21 H 1S -0.03939 -0.02551 -0.03422 -0.02157 0.00518 185 2S -0.63747 0.02951 -0.82786 -0.39676 -0.06819 186 22 H 1S -0.01379 0.01175 -0.00092 0.07117 0.00486 187 2S -0.45664 -0.23417 0.43925 1.42104 0.35647 188 23 H 1S -0.00898 0.03241 -0.02512 0.00819 -0.00036 189 2S -0.17882 0.10062 -0.31164 -0.11074 0.03630 190 24 H 1S 0.01947 0.02912 0.07023 -0.01619 0.00444 191 2S 0.47554 -0.03427 0.40782 -0.43194 -0.00715 192 25 H 1S 0.05955 0.02315 -0.01394 -0.02853 -0.01400 193 2S 1.21993 -0.25534 -0.37429 -0.24814 -0.16317 194 26 H 1S -0.01486 -0.02759 0.00283 0.04505 0.01742 195 2S -0.10298 -0.62133 -0.35160 0.47518 1.04672 196 27 H 1S -0.01700 -0.03894 -0.00236 -0.01059 -0.00336 197 2S -0.15403 -0.76109 -0.42552 0.29437 -0.90364 56 57 58 59 60 V V V V V Eigenvalues -- 0.17527 0.18185 0.18355 0.20016 0.21322 1 1 C 1S -0.01778 -0.00393 0.00407 0.01986 0.03795 2 2S 0.01012 0.00620 -0.00827 -0.02160 -0.02809 3 2PX -0.03875 0.10355 -0.02914 -0.04280 -0.04123 4 2PY 0.00369 -0.06910 0.06240 0.13374 -0.06169 5 2PZ 0.10071 0.25026 0.03549 0.08923 0.01700 6 3S 0.40690 0.07127 -0.07371 -0.38951 -0.75883 7 3PX -0.04492 0.35493 -0.08439 -0.22544 -0.37437 8 3PY 0.09739 -0.21893 0.20201 0.40975 -0.47319 9 3PZ 0.32845 0.88360 0.11656 0.27121 0.08052 10 4XX -0.00167 0.00752 -0.00230 -0.00186 0.00248 11 4YY 0.00151 -0.00666 0.00733 0.01294 0.00520 12 4ZZ -0.00482 -0.00026 -0.00481 -0.00819 -0.00225 13 4XY -0.00040 -0.00379 0.00101 0.00332 0.01580 14 4XZ -0.00123 0.01412 0.00140 0.00470 0.00293 15 4YZ -0.00341 -0.00607 -0.00071 -0.00101 -0.00135 16 2 C 1S -0.00252 0.01305 0.00797 0.00517 -0.07757 17 2S 0.01716 -0.02290 -0.01367 -0.02685 0.08941 18 2PX 0.00085 0.01664 -0.04586 -0.08903 -0.08937 19 2PY 0.01761 -0.04204 0.03105 0.03255 0.07656 20 2PZ -0.02905 -0.01742 0.00975 0.02671 0.04775 21 3S 0.03073 -0.22076 -0.20128 0.05976 1.59272 22 3PX 0.04221 0.09345 -0.19469 -0.23160 -0.48262 23 3PY 0.17941 -0.17149 0.17881 0.16057 0.28313 24 3PZ -0.15889 -0.09776 0.03829 0.12299 0.18031 25 4XX 0.00309 -0.00817 0.00146 0.00531 -0.00232 26 4YY 0.00361 0.00387 -0.00312 -0.00490 -0.00616 27 4ZZ -0.00037 0.00375 0.00143 0.00078 -0.00022 28 4XY -0.00423 -0.00047 -0.00432 -0.00890 -0.00431 29 4XZ 0.00045 -0.01068 -0.00194 -0.00482 -0.00345 30 4YZ -0.00367 -0.02308 -0.00127 -0.00506 0.00065 31 3 C 1S 0.03727 -0.03381 0.02072 0.01971 0.04770 32 2S -0.03023 0.03253 -0.02373 -0.02034 -0.03169 33 2PX 0.03264 -0.08397 0.02698 0.09182 -0.06026 34 2PY -0.06257 0.00218 -0.01664 0.00918 0.06266 35 2PZ 0.03315 -0.20086 -0.03002 -0.14456 -0.05180 36 3S -0.72163 0.60524 -0.39668 -0.40859 -0.93063 37 3PX 0.01557 -0.21417 0.07043 0.24721 -0.16649 38 3PY -0.05352 -0.11361 0.01103 0.09687 0.60493 39 3PZ 0.07687 -0.71595 -0.10659 -0.39328 -0.13180 40 4XX 0.00305 -0.00466 0.00149 -0.00107 -0.00778 41 4YY 0.00364 -0.00778 0.00292 0.00442 0.02053 42 4ZZ 0.00399 0.00381 -0.00020 0.00051 -0.00274 43 4XY 0.00366 -0.00340 0.00666 0.01227 0.00391 44 4XZ -0.00126 -0.01322 -0.00158 -0.00288 0.00064 45 4YZ 0.00428 0.01101 -0.00045 -0.00091 -0.00299 46 4 H 1S 0.01319 -0.01479 0.02084 0.01710 0.01417 47 2S 0.30887 -0.11377 0.09788 -0.19157 0.32769 48 5 H 1S -0.00998 -0.07883 -0.01542 -0.03184 -0.02952 49 2S 0.36846 -1.09161 0.07620 -0.09862 -0.17249 50 6 H 1S 0.01935 0.09084 0.00145 0.01088 -0.02568 51 2S 0.22411 0.61659 0.28033 0.69761 0.18708 52 7 C 1S 0.00264 0.02443 -0.03941 -0.06805 -0.01737 53 2S 0.02282 -0.04957 0.05011 0.09672 0.01950 54 2PX -0.02695 -0.02953 0.02884 0.04048 0.06860 55 2PY -0.03244 0.02139 -0.05141 -0.11203 -0.01367 56 2PZ 0.06823 0.00321 -0.01517 -0.02857 -0.06641 57 3S -0.14587 -0.44184 0.78153 1.17163 0.49800 58 3PX -0.17564 -0.02276 -0.11331 -0.02201 0.39399 59 3PY -0.22666 0.08860 -0.08877 -0.43436 0.00001 60 3PZ 0.09183 0.09044 0.02403 -0.13033 -0.18539 61 4XX -0.00039 -0.00233 -0.00402 -0.01004 0.00083 62 4YY 0.00443 -0.00027 0.00040 -0.00117 -0.00503 63 4ZZ -0.00005 0.00281 -0.00133 -0.00124 0.00075 64 4XY 0.00137 -0.00047 0.00256 0.00772 -0.00794 65 4XZ 0.00044 -0.00286 0.00075 0.00205 0.00148 66 4YZ -0.00188 -0.00988 -0.00069 0.00302 0.00448 67 8 C 1S -0.01523 0.02384 0.00251 0.00556 -0.00726 68 2S 0.02172 -0.01058 -0.00675 -0.02034 0.01804 69 2PX 0.00230 -0.06571 0.02983 0.04872 0.08445 70 2PY 0.02758 -0.00261 0.04748 0.11870 0.07120 71 2PZ 0.04316 0.02014 0.01496 0.12398 0.07914 72 3S 0.30917 -0.53593 0.10800 0.03494 0.05223 73 3PX -0.21227 -0.41260 0.16654 0.17544 0.54081 74 3PY 0.03673 -0.07522 0.22251 0.55296 0.16360 75 3PZ 0.11825 -0.16296 -0.04199 0.49022 0.19382 76 4XX -0.00546 -0.00101 0.00990 0.00770 0.00145 77 4YY -0.00504 0.00445 -0.00688 -0.00478 0.00147 78 4ZZ 0.00902 0.00246 0.00016 -0.00247 -0.00180 79 4XY 0.00145 -0.00859 0.00303 0.01219 0.01348 80 4XZ -0.00102 0.00475 -0.00031 -0.00267 0.00049 81 4YZ 0.00234 -0.00195 -0.00404 0.00383 0.00504 82 9 C 1S -0.05458 -0.00783 -0.00695 0.01251 0.04576 83 2S 0.06053 -0.00370 0.02979 -0.03410 -0.03484 84 2PX -0.01279 -0.02456 0.00619 0.05363 0.02363 85 2PY 0.06793 0.00302 0.01283 -0.06261 0.14945 86 2PZ 0.16786 -0.09986 -0.00912 -0.00156 0.06349 87 3S 1.00653 0.19341 -0.02803 -0.13019 -0.94054 88 3PX 0.10581 -0.14151 -0.02220 0.41273 0.00232 89 3PY 0.27871 0.04824 -0.19324 -0.20180 0.35447 90 3PZ 0.47007 -0.44916 0.08382 0.01290 0.42307 91 4XX -0.00042 0.00588 0.00082 -0.00492 0.00169 92 4YY -0.00071 -0.00404 -0.01145 0.01011 0.00459 93 4ZZ -0.01029 -0.00287 0.01185 -0.00402 0.00454 94 4XY -0.00186 -0.00090 -0.01194 -0.01337 -0.00193 95 4XZ 0.01165 0.00023 -0.00889 0.00229 0.00305 96 4YZ -0.00462 0.00703 -0.00030 -0.00766 -0.00988 97 10 C 1S -0.00720 -0.00465 -0.02119 0.06391 -0.00103 98 2S 0.02890 0.02360 0.03686 -0.12648 -0.02500 99 2PX 0.07268 -0.00225 0.09053 -0.00753 -0.02358 100 2PY 0.05926 -0.01993 -0.02719 -0.04558 -0.01773 101 2PZ 0.01357 0.02862 -0.07652 0.04661 -0.01405 102 3S -0.07533 -0.01841 0.08240 -1.09386 0.15755 103 3PX 0.22605 0.00083 -0.13600 0.00677 -0.22798 104 3PY 0.32186 -0.05336 -0.11356 -0.12322 -0.05297 105 3PZ 0.00638 0.13155 -0.19806 0.03152 -0.09347 106 4XX 0.00166 -0.00177 -0.00286 -0.00479 -0.00670 107 4YY -0.00607 0.00234 -0.00848 0.00543 -0.00412 108 4ZZ 0.00310 -0.00150 0.00134 0.00066 0.00548 109 4XY 0.00400 0.00523 0.01770 -0.00544 0.00158 110 4XZ -0.01569 0.00066 0.00984 0.00393 0.00047 111 4YZ -0.01422 0.00206 0.00460 -0.00094 -0.00262 112 11 C 1S 0.05114 -0.01606 -0.02553 -0.01401 -0.02260 113 2S -0.05133 0.02695 0.03413 -0.00360 0.02985 114 2PX 0.06215 0.04604 0.10783 -0.13828 0.22446 115 2PY -0.04853 0.00812 0.07392 -0.09511 0.02012 116 2PZ -0.21592 -0.04273 0.20778 -0.00777 0.02745 117 3S -0.92531 0.27547 0.49572 0.20520 0.37311 118 3PX 0.28466 0.16300 0.43760 -0.48403 0.71901 119 3PY 0.02359 0.01065 0.11650 -0.49936 -0.04269 120 3PZ -0.72949 -0.13349 0.64042 0.00749 0.02970 121 4XX -0.00186 -0.00271 -0.01764 0.01129 -0.00841 122 4YY 0.00943 0.00058 0.00816 -0.01668 -0.00215 123 4ZZ 0.00417 0.00096 0.00611 -0.00039 0.00560 124 4XY -0.00535 -0.00151 -0.01008 -0.00078 0.00307 125 4XZ -0.01057 -0.00143 0.00577 0.00017 -0.00098 126 4YZ 0.00755 -0.00375 0.00225 -0.00148 0.00351 127 12 H 1S -0.02722 -0.01821 -0.08583 0.05553 -0.04603 128 2S 0.03123 -0.31440 -0.83053 0.64943 -1.05081 129 13 H 1S -0.04428 0.00778 0.05322 0.00044 0.00391 130 2S -0.36593 -0.16464 0.72083 -0.08796 0.24506 131 14 H 1S 0.09061 0.00137 0.00145 -0.00295 0.02417 132 2S 1.31713 0.10665 -0.60976 -0.14983 0.29134 133 15 C 1S 0.01564 0.00632 0.07872 -0.02119 -0.03718 134 2S -0.03246 -0.00716 -0.13285 0.00139 0.05376 135 2PX -0.00892 0.00527 0.00643 -0.03121 0.01383 136 2PY 0.00372 -0.00352 0.11281 0.00632 -0.13683 137 2PZ -0.01585 0.01129 0.04243 -0.00725 0.00391 138 3S -0.13994 -0.09709 -1.18895 0.51052 0.59495 139 3PX -0.13890 -0.01028 -0.04678 -0.24376 -0.05847 140 3PY 0.08547 0.02055 0.70632 -0.01419 -0.37142 141 3PZ -0.01406 -0.04604 0.10227 0.01521 0.06855 142 4XX -0.00684 0.00477 0.01172 -0.00235 0.00226 143 4YY 0.00922 0.00007 0.00273 -0.00836 -0.00564 144 4ZZ 0.00003 -0.00094 -0.00218 -0.00034 -0.00017 145 4XY -0.00525 -0.00134 -0.01044 0.01537 -0.00723 146 4XZ -0.00230 -0.00028 -0.00056 -0.00171 -0.00241 147 4YZ -0.00280 0.00206 0.00105 0.00032 -0.00302 148 16 C 1S -0.03130 0.00035 -0.06168 -0.00044 0.03277 149 2S 0.03092 0.00479 0.10413 -0.01621 -0.03500 150 2PX 0.11886 -0.02366 0.00987 -0.02763 -0.05068 151 2PY -0.10388 -0.00449 -0.15471 0.07936 0.00497 152 2PZ 0.02312 0.00147 -0.02599 0.00479 0.01869 153 3S 0.60880 -0.06756 0.69073 0.25881 -0.61837 154 3PX 0.17700 -0.06911 -0.08316 0.10915 -0.23635 155 3PY -0.31449 -0.07093 -0.79512 0.47896 -0.03863 156 3PZ 0.00017 0.02567 -0.00234 -0.02523 0.01747 157 4XX -0.00073 -0.00220 -0.01649 0.00850 -0.00087 158 4YY -0.00305 0.00070 -0.00640 -0.00396 0.00881 159 4ZZ -0.00242 -0.00010 0.00132 0.00316 -0.00453 160 4XY -0.00409 0.00045 -0.00859 -0.00330 0.00999 161 4XZ 0.00322 0.00019 0.00150 -0.00123 0.00148 162 4YZ -0.00025 0.00049 0.00329 0.00060 -0.00309 163 17 O 1S 0.00602 -0.00843 -0.02118 0.03304 -0.03403 164 2S -0.02667 0.01025 -0.00255 -0.04096 0.07375 165 2PX -0.00223 -0.00450 -0.00880 0.05323 -0.05594 166 2PY 0.02761 0.00446 0.08047 -0.00218 -0.01319 167 2PZ -0.00062 0.00840 0.02340 -0.02766 0.03441 168 3S -0.00390 0.12149 0.45990 -0.52236 0.37162 169 3PX -0.04853 -0.02351 -0.11722 0.14575 -0.09750 170 3PY 0.05920 -0.03182 -0.03295 0.14180 -0.13621 171 3PZ -0.00735 0.00858 0.05675 -0.04764 0.04138 172 4XX -0.00394 -0.00236 -0.01716 0.01450 -0.00208 173 4YY -0.00108 -0.00336 -0.01211 0.00565 -0.00491 174 4ZZ -0.00289 -0.00436 -0.01599 0.01577 -0.00746 175 4XY -0.00338 0.00299 0.01306 -0.01044 0.00794 176 4XZ 0.00189 0.00016 -0.00073 -0.00008 -0.00002 177 4YZ -0.00233 -0.00118 -0.00263 0.00402 -0.00497 178 18 H 1S -0.02350 0.00156 -0.03407 0.00491 0.03173 179 2S -0.73253 0.02525 -0.98999 0.29481 0.42403 180 19 H 1S 0.03807 -0.00445 0.04068 -0.01645 -0.06453 181 2S 0.20544 0.03724 1.22782 -0.23801 -0.87236 182 20 H 1S -0.08569 0.02301 0.05317 -0.01502 -0.03452 183 2S -1.12811 0.31194 0.07341 0.24431 -0.28484 184 21 H 1S 0.02180 -0.02211 -0.04279 0.03366 0.04807 185 2S -0.05813 0.00772 -0.24636 -0.14408 0.85526 186 22 H 1S 0.05075 -0.00916 -0.02150 0.02326 -0.00968 187 2S 0.23248 0.18083 -0.00346 0.66782 0.08630 188 23 H 1S -0.02241 0.01686 -0.02051 -0.04311 -0.00790 189 2S -0.21477 0.22807 -0.26087 -0.53678 -0.25092 190 24 H 1S 0.01691 0.00590 -0.00279 -0.02612 -0.02283 191 2S -0.15533 0.27566 -0.43374 -0.99336 -0.14200 192 25 H 1S 0.01578 -0.03832 0.03809 0.06749 0.00039 193 2S 0.01559 -0.42055 0.38289 0.84950 -0.07240 194 26 H 1S -0.02643 -0.06515 -0.02894 -0.06073 -0.02941 195 2S -0.58111 -0.84015 -0.25384 -0.48831 0.09355 196 27 H 1S -0.00479 0.10751 -0.00929 -0.00588 -0.00705 197 2S 0.06587 1.23451 -0.02984 0.07512 0.16372 61 62 63 64 65 V V V V V Eigenvalues -- 0.22139 0.23294 0.24268 0.24552 0.25678 1 1 C 1S 0.01749 0.04137 0.03024 -0.02635 0.00701 2 2S -0.02414 -0.01317 -0.01577 -0.00436 -0.02838 3 2PX -0.08542 -0.06705 -0.08944 0.13596 -0.15315 4 2PY 0.03655 -0.05176 -0.00882 -0.14050 -0.13646 5 2PZ -0.00017 0.03157 -0.03350 -0.03085 0.04689 6 3S -0.27681 -0.89574 -0.62183 0.72418 0.04049 7 3PX -0.38639 -0.51991 -0.52898 0.90034 -0.54138 8 3PY 0.12491 -0.73913 -0.32896 -0.31250 -0.40967 9 3PZ 0.03870 0.11349 0.07173 -0.16064 0.11279 10 4XX 0.00492 0.00998 0.00837 -0.01948 0.01913 11 4YY 0.00569 -0.00689 -0.00150 0.00888 -0.01062 12 4ZZ -0.00709 0.00413 -0.00030 0.00318 -0.00906 13 4XY 0.00390 0.02094 0.01135 -0.00165 0.00353 14 4XZ -0.00079 -0.00032 -0.00660 0.00429 -0.00469 15 4YZ 0.00030 -0.00353 -0.00510 -0.00066 0.00026 16 2 C 1S 0.00281 -0.12497 -0.04822 0.02944 -0.01604 17 2S -0.03730 0.14318 0.02882 -0.06303 0.05266 18 2PX -0.10210 -0.10424 -0.14095 0.00051 -0.07467 19 2PY -0.05980 0.12374 -0.00454 0.22150 -0.15182 20 2PZ 0.03036 0.02315 -0.00618 -0.01445 0.01858 21 3S 0.09118 2.47096 1.05149 -0.50807 -0.06468 22 3PX -0.20409 -0.62509 -0.56323 0.19729 -0.42482 23 3PY -0.17319 0.48287 0.04627 1.19706 -0.40840 24 3PZ 0.06874 0.17049 -0.08143 -0.07197 0.14375 25 4XX -0.00522 -0.00726 -0.00450 0.01005 -0.01685 26 4YY 0.00120 -0.00921 -0.00169 -0.00678 0.02023 27 4ZZ -0.00071 -0.00107 -0.00319 -0.00093 -0.00084 28 4XY -0.01167 0.00902 -0.00198 -0.00538 -0.01295 29 4XZ -0.00333 0.00032 0.00558 -0.00091 0.00158 30 4YZ 0.00385 -0.00157 -0.00170 -0.00053 0.00310 31 3 C 1S 0.00202 0.04604 0.01455 0.04370 0.01703 32 2S -0.00415 -0.02660 -0.00925 -0.02111 -0.01123 33 2PX 0.03218 -0.03788 0.02889 -0.19362 -0.08424 34 2PY -0.04403 0.18192 0.04565 -0.02930 -0.18571 35 2PZ -0.02392 -0.01142 0.09555 0.03133 -0.03575 36 3S -0.10165 -0.87625 -0.31338 -1.16056 -0.40024 37 3PX 0.15300 0.10554 0.26580 -0.86827 -0.15863 38 3PY -0.18739 1.19337 0.36808 0.37413 -0.51015 39 3PZ -0.05080 -0.06827 0.15868 0.17883 -0.04677 40 4XX 0.00046 -0.01849 -0.00797 0.00861 0.00423 41 4YY -0.00280 0.02843 0.00734 0.01257 -0.00307 42 4ZZ 0.00113 -0.00190 0.00157 -0.01141 0.00313 43 4XY 0.01111 -0.01138 0.00183 0.00808 0.01264 44 4XZ 0.00074 0.00340 0.00114 -0.00322 0.00142 45 4YZ -0.00394 0.00175 0.00373 0.00014 -0.00352 46 4 H 1S 0.01824 -0.06975 -0.02491 0.07214 0.06046 47 2S 0.06110 -0.33514 -0.23568 1.27035 0.84036 48 5 H 1S 0.00274 -0.01460 -0.00640 -0.05389 0.00414 49 2S 0.13923 -0.10244 0.32944 -0.30954 0.07830 50 6 H 1S -0.01054 -0.01324 0.00179 -0.05678 -0.00598 51 2S 0.19907 0.00787 -0.14236 -0.32477 0.27568 52 7 C 1S -0.01711 0.04317 0.01220 -0.04953 0.07043 53 2S -0.02488 -0.08901 -0.05957 0.05972 -0.09263 54 2PX -0.08955 0.06464 -0.00794 0.09020 -0.18321 55 2PY -0.12064 0.01656 -0.06757 0.10061 -0.01061 56 2PZ -0.04552 -0.02437 0.09070 -0.00259 -0.00677 57 3S 0.44179 -0.34520 -0.02291 0.98499 -1.05649 58 3PX -0.11104 0.28929 -0.03040 -0.17408 -0.73480 59 3PY -0.39960 0.12161 -0.17173 -0.06486 0.17995 60 3PZ 0.05099 -0.15737 0.36221 0.11854 0.03177 61 4XX -0.00740 0.00311 -0.00865 -0.03136 0.02302 62 4YY -0.01261 0.00146 -0.00684 0.01779 -0.00584 63 4ZZ 0.00490 -0.00047 0.00852 0.00412 -0.00526 64 4XY 0.00949 -0.01175 0.00153 0.00384 0.02193 65 4XZ 0.00531 0.00304 -0.00363 0.00505 -0.00439 66 4YZ -0.00504 0.00646 -0.01453 -0.00374 0.00072 67 8 C 1S 0.00928 0.00288 0.04806 0.01242 -0.10857 68 2S -0.00037 0.01302 -0.02290 -0.04257 0.14594 69 2PX -0.07789 -0.00802 -0.18743 0.10296 -0.15793 70 2PY 0.12645 0.01663 0.07104 0.21918 0.02783 71 2PZ -0.04539 0.07369 -0.22303 -0.09907 0.08184 72 3S -0.19505 -0.26735 -1.06892 0.25178 1.92681 73 3PX -0.47073 0.12522 -0.99754 0.11513 -0.37304 74 3PY 0.57859 0.03087 0.26025 0.79745 0.00053 75 3PZ -0.27961 0.24669 -1.03220 -0.27907 0.39620 76 4XX -0.00581 -0.00985 -0.00701 0.02996 -0.01432 77 4YY -0.00047 0.01585 -0.00216 -0.02625 -0.00910 78 4ZZ 0.01012 -0.00510 0.01674 0.00115 0.00826 79 4XY -0.00379 -0.00214 -0.00398 -0.00173 -0.01486 80 4XZ 0.00519 -0.00252 0.01315 -0.00172 -0.00064 81 4YZ -0.00640 -0.00632 -0.00908 -0.00141 0.00930 82 9 C 1S 0.03831 -0.00383 -0.07504 -0.02967 0.03950 83 2S -0.04769 -0.00250 0.07967 0.05438 -0.02044 84 2PX -0.15951 0.00678 -0.07305 0.01982 -0.03471 85 2PY -0.02782 -0.19236 0.12084 -0.01785 -0.02959 86 2PZ -0.16428 0.03833 -0.20931 -0.11341 0.07659 87 3S -0.60227 0.17734 1.33299 0.39848 -0.79454 88 3PX -0.75614 0.05097 -0.72457 -0.02664 0.12382 89 3PY -0.32772 -0.60949 0.54224 -0.26385 -0.20242 90 3PZ -0.58571 0.02701 -1.04659 -0.26739 0.37874 91 4XX 0.01253 0.00669 0.00210 -0.01714 0.01751 92 4YY 0.00501 -0.00864 0.00612 0.00750 -0.01144 93 4ZZ -0.01009 0.00124 -0.01772 0.00495 0.00245 94 4XY 0.01532 0.00233 -0.00098 -0.00509 -0.01017 95 4XZ -0.00380 0.00196 -0.01085 -0.00595 -0.00014 96 4YZ -0.00564 0.00224 0.01513 -0.00903 -0.00403 97 10 C 1S -0.11164 -0.03057 0.05772 0.01483 -0.01261 98 2S 0.15867 0.04833 -0.03346 -0.06834 -0.00305 99 2PX -0.05792 0.01298 -0.04269 0.07900 -0.13660 100 2PY 0.14584 0.00129 -0.08826 0.08964 -0.03031 101 2PZ 0.08538 0.00884 0.05669 0.05965 -0.10339 102 3S 2.07453 0.55101 -1.16567 0.02702 0.19961 103 3PX -0.31952 0.12123 -0.13401 0.07997 -0.32332 104 3PY 0.71870 0.04431 -0.48220 0.34768 -0.04134 105 3PZ 0.30088 0.03615 0.30410 0.08704 -0.20844 106 4XX -0.00424 -0.00493 0.02043 0.01127 -0.01757 107 4YY -0.00783 0.00065 0.00895 -0.00786 0.01012 108 4ZZ -0.00170 0.00152 -0.01078 -0.00528 0.00283 109 4XY -0.00753 0.00364 0.00344 0.00063 0.00374 110 4XZ 0.00610 -0.00023 0.00094 0.00679 -0.00035 111 4YZ 0.00605 -0.00406 0.01031 0.00472 0.00068 112 11 C 1S 0.06881 0.01399 -0.02743 0.01616 0.01944 113 2S -0.04767 -0.01176 0.01293 -0.01055 -0.00268 114 2PX -0.04715 -0.12864 0.05585 -0.09314 -0.09458 115 2PY 0.14329 0.02481 -0.09389 0.02556 -0.08599 116 2PZ -0.08105 -0.04997 -0.00591 0.00824 0.12310 117 3S -1.34554 -0.27400 0.65149 -0.42226 -0.46380 118 3PX 0.09562 -0.45218 0.27292 -0.07825 0.13162 119 3PY 0.99175 0.21888 -0.69498 0.17400 -0.15279 120 3PZ -0.22440 -0.13753 -0.02623 0.05255 0.43085 121 4XX -0.00948 0.00171 0.00274 -0.00624 -0.00761 122 4YY 0.02583 0.00544 -0.01368 0.00404 -0.00081 123 4ZZ -0.00245 -0.00501 0.00704 0.00443 0.01478 124 4XY 0.01320 -0.00119 -0.00703 -0.00613 0.00112 125 4XZ 0.00144 0.00093 -0.00332 0.00071 0.00175 126 4YZ -0.01166 0.00183 -0.00910 -0.00691 0.00306 127 12 H 1S -0.01213 0.02725 -0.02285 -0.03120 -0.02910 128 2S 0.30966 0.62988 -0.40612 0.23896 0.17649 129 13 H 1S -0.00585 -0.03053 0.06222 0.03214 0.05962 130 2S -0.15230 -0.37563 0.23513 0.10619 0.74798 131 14 H 1S -0.05230 -0.00965 0.02584 -0.00330 0.01282 132 2S 0.17282 -0.12897 0.26740 -0.09231 -0.14950 133 15 C 1S -0.00128 0.03942 -0.01086 -0.01820 0.01795 134 2S 0.01209 -0.06521 0.02057 0.00994 -0.05524 135 2PX 0.07152 0.02920 -0.08234 0.01105 -0.02363 136 2PY -0.03252 0.07181 0.02034 0.00528 -0.03164 137 2PZ -0.03734 -0.00398 0.04041 -0.02294 0.02278 138 3S 0.09590 -0.67632 0.26229 0.46140 -0.01941 139 3PX 0.14223 0.20116 -0.15982 0.00369 -0.13008 140 3PY -0.12068 0.17398 0.17668 -0.03656 -0.07859 141 3PZ -0.14229 -0.07556 -0.06348 -0.06166 0.17207 142 4XX -0.00293 0.00078 0.00300 -0.01618 0.01019 143 4YY 0.00245 0.00228 0.00120 0.00836 -0.01118 144 4ZZ 0.00266 -0.00023 -0.00313 0.00072 -0.00113 145 4XY -0.01647 -0.00341 0.01717 0.00481 0.00995 146 4XZ 0.00199 0.00017 0.00131 0.00190 0.00099 147 4YZ 0.00943 0.00211 0.00306 0.00590 -0.00935 148 16 C 1S 0.02557 -0.01258 -0.02089 0.00148 -0.01895 149 2S -0.01850 0.02315 0.00752 -0.02693 0.01844 150 2PX 0.01972 0.00504 -0.00512 0.09576 -0.09795 151 2PY -0.00934 -0.00701 0.02591 0.00484 0.07305 152 2PZ 0.01107 -0.00078 -0.01638 -0.01179 -0.01078 153 3S -0.56232 0.09861 0.49333 0.18944 0.44439 154 3PX -0.10690 0.01682 0.20321 0.31064 -0.01865 155 3PY -0.29115 -0.12724 0.36474 0.21688 0.47306 156 3PZ 0.08531 0.02154 -0.03459 -0.03651 -0.07256 157 4XX -0.00116 -0.00322 0.00026 0.00604 -0.00239 158 4YY 0.00629 -0.00263 -0.00646 -0.00191 -0.00225 159 4ZZ -0.00401 0.00203 0.00430 -0.00044 0.00666 160 4XY 0.01095 -0.00190 -0.00949 -0.00328 -0.00022 161 4XZ -0.00001 -0.00008 -0.00046 -0.00042 -0.00139 162 4YZ -0.00194 0.00062 0.00410 0.00134 0.00000 163 17 O 1S -0.02346 0.00666 0.02583 0.01904 0.02846 164 2S 0.03205 -0.03227 -0.02905 -0.01791 -0.03236 165 2PX -0.05126 0.02543 0.03533 -0.01187 0.05105 166 2PY -0.06281 -0.02041 0.06855 0.02454 0.01796 167 2PZ -0.00185 -0.01726 0.00000 -0.01086 -0.00650 168 3S 0.41199 0.02489 -0.48047 -0.34580 -0.50005 169 3PX -0.09182 0.02176 0.08827 0.02266 0.16228 170 3PY -0.17700 -0.01848 0.20485 0.13661 0.15764 171 3PZ 0.00572 -0.01367 -0.02470 -0.02302 -0.02225 172 4XX -0.01235 -0.00611 0.01460 0.00787 0.01312 173 4YY 0.00198 0.00009 0.00013 0.00607 0.00127 174 4ZZ -0.01082 -0.00410 0.01392 0.01105 0.01668 175 4XY 0.00457 -0.00080 -0.00527 -0.00724 -0.00605 176 4XZ 0.00012 -0.00024 0.00112 0.00064 -0.00018 177 4YZ -0.00138 0.00149 0.00189 0.00218 0.00403 178 18 H 1S -0.00423 -0.02578 0.00385 0.00082 -0.01759 179 2S 0.06032 -0.19725 -0.01454 -0.12577 0.25513 180 19 H 1S -0.01797 0.03223 0.02822 0.03139 -0.00231 181 2S -0.08788 0.64226 0.02913 -0.09962 -0.04832 182 20 H 1S -0.02853 0.01861 0.02013 0.00363 -0.00166 183 2S 0.60759 0.24528 0.01731 0.23659 0.01523 184 21 H 1S 0.04854 -0.06915 0.01320 0.03291 -0.03357 185 2S 0.19420 -0.89649 0.22502 -0.24949 0.01619 186 22 H 1S 0.00760 -0.01833 -0.01504 0.01434 0.04135 187 2S 0.21537 0.24417 -0.15093 -0.00033 -0.06600 188 23 H 1S -0.01922 0.07074 -0.01818 -0.11381 -0.05706 189 2S -0.60243 0.19270 -0.11872 -1.17112 -0.92050 190 24 H 1S -0.04986 0.04391 -0.00279 0.06626 0.02920 191 2S -0.66035 0.48349 -0.13934 -0.09514 0.61888 192 25 H 1S 0.02533 -0.05606 -0.02134 0.01518 -0.05888 193 2S 0.37183 -0.26084 0.03455 -0.76373 -0.50633 194 26 H 1S -0.02951 -0.00523 -0.00238 0.01564 -0.01772 195 2S -0.15219 0.09915 0.05530 0.40565 -0.27153 196 27 H 1S -0.02134 0.00143 -0.02923 0.01305 -0.00723 197 2S -0.22885 0.18165 -0.15159 0.40263 -0.19454 66 67 68 69 70 V V V V V Eigenvalues -- 0.28318 0.29817 0.33496 0.37406 0.43093 1 1 C 1S 0.01854 0.00506 -0.02273 -0.00904 0.00025 2 2S -0.00132 -0.00710 -0.07722 -0.04866 -0.00600 3 2PX -0.04802 -0.03312 -0.02490 -0.05748 -0.04903 4 2PY -0.00379 -0.03861 0.07416 0.01307 0.00235 5 2PZ 0.02673 0.00741 0.01561 0.02020 0.01961 6 3S -0.43692 -0.07953 1.30256 0.56206 -0.03153 7 3PX -0.49373 -0.15262 1.19859 0.47563 0.03530 8 3PY -0.16077 -0.18228 0.52541 0.27229 -0.19244 9 3PZ 0.13526 0.05388 -0.21370 -0.10758 -0.02742 10 4XX 0.01058 0.00419 -0.01026 -0.00171 0.00333 11 4YY -0.00444 -0.00203 -0.00868 -0.00643 -0.00797 12 4ZZ -0.00145 -0.00175 0.00726 0.00132 0.00296 13 4XY 0.00652 0.00243 -0.01610 -0.00945 -0.00070 14 4XZ -0.00692 -0.00388 0.00134 0.00273 -0.00055 15 4YZ -0.00364 -0.00236 0.00207 0.00340 0.00129 16 2 C 1S -0.01931 -0.00032 -0.01715 -0.00802 0.00600 17 2S 0.03108 0.00425 0.05248 0.00989 -0.00305 18 2PX -0.07859 -0.06257 0.17351 0.07968 -0.02713 19 2PY -0.10572 -0.02573 0.26596 0.07601 0.01509 20 2PZ -0.02196 -0.01185 -0.04503 -0.02438 0.01927 21 3S 0.42708 -0.07901 0.10185 0.02441 -0.42787 22 3PX -0.28703 -0.29918 1.21246 0.58453 -0.45853 23 3PY -0.50704 -0.00328 2.17464 0.66601 0.26720 24 3PZ -0.01009 -0.00350 -0.24839 -0.04263 0.11211 25 4XX 0.00369 0.00067 -0.01533 -0.02263 -0.00697 26 4YY 0.00343 0.00534 0.02430 0.01316 0.00325 27 4ZZ -0.00414 -0.00284 -0.00253 0.00248 0.00068 28 4XY 0.00071 -0.00383 -0.00923 -0.00958 0.00107 29 4XZ 0.00765 0.00536 0.00872 -0.00150 0.00198 30 4YZ -0.00478 -0.00336 -0.00077 0.00657 0.00079 31 3 C 1S -0.00877 0.00539 0.02972 0.00852 0.00211 32 2S -0.00473 -0.00011 0.05831 0.03040 0.01124 33 2PX 0.01682 -0.01011 0.02632 0.00414 -0.01621 34 2PY -0.00690 -0.04646 0.03404 -0.02874 -0.03625 35 2PZ 0.00191 0.00576 -0.00538 -0.03896 0.01461 36 3S 0.28583 -0.16599 -1.26342 -0.42781 -0.14618 37 3PX 0.24722 0.01174 -0.42005 -0.21222 0.12203 38 3PY -0.18423 -0.06295 1.38969 0.42197 0.12482 39 3PZ -0.01503 0.02647 0.09358 0.05048 -0.05022 40 4XX -0.00329 0.00079 -0.00489 -0.00108 -0.00137 41 4YY -0.00544 -0.00010 0.02571 0.01082 0.00139 42 4ZZ 0.00368 0.00071 -0.00776 -0.00347 0.00198 43 4XY 0.00111 0.00663 -0.01370 -0.00331 0.00121 44 4XZ 0.00178 -0.00018 -0.00047 0.00192 0.00039 45 4YZ 0.00425 0.00229 0.00483 -0.00219 -0.00131 46 4 H 1S -0.01202 0.01993 -0.08019 -0.02270 -0.00007 47 2S -0.21612 0.17148 -0.13001 0.07130 -0.07400 48 5 H 1S 0.01230 -0.00942 -0.05253 -0.01077 0.00017 49 2S 0.12053 0.07935 -0.20729 -0.10141 0.02985 50 6 H 1S 0.02656 0.00158 -0.04516 -0.04088 0.00375 51 2S 0.08121 0.03959 -0.21797 -0.05287 0.04772 52 7 C 1S 0.01353 0.00343 0.05044 0.03285 0.00126 53 2S 0.04143 0.02382 -0.01342 -0.09530 -0.00813 54 2PX 0.03098 0.00356 -0.13596 -0.11501 0.02137 55 2PY -0.01327 0.01284 -0.20954 -0.09520 0.06180 56 2PZ 0.10505 0.07638 0.09057 -0.07806 0.01152 57 3S -0.62937 -0.11248 -1.23100 -0.38000 0.40408 58 3PX -0.03007 -0.31039 -1.46716 -0.40466 -0.52352 59 3PY 0.05440 0.07358 -1.69622 -0.60942 0.23442 60 3PZ 0.02847 0.13794 0.26792 0.01515 0.02313 61 4XX 0.00466 -0.00057 0.00024 0.01381 0.00970 62 4YY 0.00581 0.00566 0.01554 -0.01258 0.00092 63 4ZZ -0.00319 0.00061 -0.00512 -0.00318 -0.00304 64 4XY 0.00665 0.01197 0.00044 0.00441 0.00711 65 4XZ -0.01103 -0.00794 -0.00762 0.00735 -0.00131 66 4YZ 0.00022 -0.00370 0.00156 0.00307 -0.00148 67 8 C 1S -0.00754 -0.01449 -0.05297 -0.03055 -0.00192 68 2S 0.00631 0.02246 0.00199 0.02337 0.00397 69 2PX -0.09526 -0.09034 -0.14336 -0.09332 -0.05435 70 2PY -0.00490 0.04265 -0.06454 -0.04911 -0.05546 71 2PZ 0.02676 -0.05450 0.01447 0.07729 0.02028 72 3S 0.10868 0.25611 1.69853 0.72029 0.37377 73 3PX -0.36448 -0.35536 -1.51372 -0.19590 0.12908 74 3PY -0.24609 0.01884 -0.58229 -0.08545 0.00817 75 3PZ 0.45110 -0.04803 0.49307 0.08635 0.18251 76 4XX 0.00778 0.00590 -0.02243 -0.01595 0.01145 77 4YY 0.00537 -0.01242 0.01214 0.00947 -0.00169 78 4ZZ -0.01752 0.00160 0.00066 0.00476 0.00156 79 4XY -0.00395 -0.00041 -0.00956 -0.00499 0.00347 80 4XZ 0.00252 0.00107 0.00319 -0.00017 0.00159 81 4YZ 0.00977 0.01079 0.01114 0.00279 -0.01425 82 9 C 1S -0.04891 -0.04056 -0.00050 0.03899 0.00957 83 2S 0.04676 0.03693 -0.05476 0.06341 -0.00367 84 2PX 0.27574 0.10544 -0.02937 0.08783 -0.15659 85 2PY 0.04239 0.02108 0.04337 -0.04623 -0.10716 86 2PZ -0.06264 -0.03791 0.02268 -0.02281 0.03328 87 3S 1.03964 0.78376 0.39233 -1.57885 -0.67639 88 3PX 1.44584 0.45902 0.76613 -0.90568 -0.15322 89 3PY 0.14446 0.58579 0.29523 -0.00749 -1.09584 90 3PZ -0.41734 -0.28826 -0.31328 0.35205 0.23090 91 4XX -0.02817 -0.01600 0.00402 0.01615 -0.00776 92 4YY 0.01470 0.01450 -0.00031 0.00235 0.01070 93 4ZZ 0.00444 -0.00631 -0.01453 -0.00333 -0.00540 94 4XY -0.00272 -0.01515 -0.00890 0.02341 0.01108 95 4XZ 0.00312 -0.00060 -0.00123 0.00659 0.00434 96 4YZ 0.00804 0.00507 0.01453 -0.01090 -0.00233 97 10 C 1S 0.04349 0.05260 -0.00195 -0.01096 0.06700 98 2S -0.06296 -0.01982 0.09338 -0.01654 -0.07199 99 2PX 0.18536 0.20305 -0.02489 -0.18596 -0.24913 100 2PY 0.29924 -0.15483 0.08329 -0.18961 0.18632 101 2PZ -0.10074 -0.04913 -0.13532 -0.00235 0.06671 102 3S -0.82611 -1.11481 -0.64631 0.62861 -3.25500 103 3PX 1.11670 0.78530 0.39148 -1.05044 -2.99970 104 3PY 1.40638 -0.74684 0.91841 -1.94775 2.13869 105 3PZ -0.26559 -0.09659 -0.16723 0.13227 0.51596 106 4XX 0.02543 0.00915 -0.01717 0.02842 -0.01989 107 4YY -0.01711 0.00844 0.02786 -0.04892 -0.00153 108 4ZZ -0.00223 -0.00681 -0.00130 0.00923 0.00463 109 4XY 0.00705 -0.00663 0.00268 -0.00529 -0.02442 110 4XZ -0.00465 -0.00121 -0.00737 -0.01038 0.00343 111 4YZ 0.00476 0.00521 0.00493 0.00010 0.00199 112 11 C 1S 0.01529 -0.00215 0.01996 -0.02951 0.00306 113 2S 0.01206 -0.01508 0.04212 -0.08466 0.04061 114 2PX 0.00912 -0.09318 -0.00127 -0.00953 0.05035 115 2PY 0.13290 -0.15772 -0.08961 0.14554 -0.03690 116 2PZ 0.08607 0.00853 0.04823 0.03692 -0.00030 117 3S -0.60837 0.15383 -0.76594 1.43563 -0.55603 118 3PX -0.07840 -0.70564 0.04299 0.12851 0.85592 119 3PY 0.95492 -0.76952 0.51788 -1.26741 0.14079 120 3PZ 0.23823 0.19834 0.21736 0.03480 -0.19876 121 4XX -0.00792 0.01585 -0.00265 -0.00293 0.01531 122 4YY 0.01970 -0.01889 0.01302 -0.02310 -0.00787 123 4ZZ -0.00813 0.00190 0.00144 0.00869 -0.00172 124 4XY -0.01114 -0.00174 0.00639 -0.00475 0.04485 125 4XZ 0.00027 0.00595 0.00025 -0.00442 -0.00291 126 4YZ -0.00098 -0.00394 -0.00283 0.00407 -0.00627 127 12 H 1S -0.06584 0.08615 -0.02054 0.02833 0.08886 128 2S -0.17807 0.92718 0.04648 -0.17636 -0.47745 129 13 H 1S -0.00497 0.05396 0.01347 0.05738 -0.03662 130 2S 0.05979 0.21828 0.32513 0.13406 0.12598 131 14 H 1S -0.03470 -0.01635 -0.04857 0.08075 -0.05560 132 2S -0.55999 -0.13159 -0.15480 0.06642 0.41479 133 15 C 1S -0.07042 -0.00879 0.00882 -0.06561 -0.10347 134 2S 0.08584 0.12011 0.01551 0.06153 0.12590 135 2PX 0.14426 0.03373 -0.04525 0.25928 0.05586 136 2PY -0.00490 0.07753 -0.02441 0.08523 0.28178 137 2PZ 0.01359 -0.03040 0.02542 -0.05672 0.02895 138 3S 1.39040 -1.00358 -0.04922 1.15840 3.56975 139 3PX -0.10549 0.24782 -0.95849 2.52449 -2.22378 140 3PY -0.34890 0.08976 -0.20759 0.79743 2.89558 141 3PZ 0.06230 -0.08443 0.26473 -0.42723 0.38324 142 4XX -0.04039 0.00746 0.01897 -0.02921 0.01048 143 4YY 0.02653 0.00467 -0.00380 0.00344 -0.00894 144 4ZZ 0.00090 0.00159 -0.00312 0.00856 0.00808 145 4XY -0.00047 -0.02798 0.00337 -0.02259 0.02273 146 4XZ 0.01363 0.00201 0.00289 0.00911 -0.00090 147 4YZ -0.00235 0.00728 -0.00893 -0.00072 -0.00620 148 16 C 1S 0.03643 0.04962 -0.01353 0.07303 0.02617 149 2S -0.10711 -0.01759 0.02886 -0.11228 0.13364 150 2PX 0.28371 0.03528 -0.12044 0.35875 0.04887 151 2PY -0.03901 -0.16042 0.02430 -0.08610 -0.02604 152 2PZ -0.07219 -0.01427 -0.00879 -0.04420 0.02467 153 3S 0.02689 -1.34459 0.55018 -2.01385 -0.57736 154 3PX 0.66697 -0.73201 -0.59758 1.89458 -0.15957 155 3PY 0.20111 -1.41475 -0.11314 0.11451 -1.62023 156 3PZ -0.14290 0.23675 0.08308 -0.35431 0.04110 157 4XX 0.02246 0.00018 -0.00049 0.01840 0.05200 158 4YY -0.00004 0.01418 0.00170 -0.00241 -0.01952 159 4ZZ -0.00745 -0.01811 0.00114 -0.00976 -0.01069 160 4XY -0.00606 0.01380 -0.00064 0.00956 -0.04776 161 4XZ -0.00953 -0.00657 -0.00368 -0.00546 -0.01119 162 4YZ 0.00093 -0.00443 -0.00037 -0.00264 0.00721 163 17 O 1S 0.01042 -0.08074 -0.00613 0.00270 -0.04999 164 2S 0.02478 0.05801 0.01153 0.00038 0.05307 165 2PX -0.10043 -0.02816 0.02759 -0.13536 0.00657 166 2PY 0.06674 -0.20878 -0.01043 0.01301 0.04794 167 2PZ 0.02478 -0.01122 0.00151 0.02650 0.02041 168 3S -0.37897 1.68740 0.13177 -0.17102 1.25235 169 3PX -0.10442 -0.28872 0.07582 -0.31500 -0.31373 170 3PY 0.19242 -0.67961 -0.07300 0.14151 -0.36750 171 3PZ 0.01757 0.07659 0.00133 0.05013 0.08593 172 4XX 0.01209 -0.04941 -0.00164 0.00226 -0.01011 173 4YY 0.01323 -0.00797 -0.00033 0.00207 0.01388 174 4ZZ 0.01484 -0.05679 -0.00035 -0.00317 -0.03840 175 4XY -0.00926 0.01256 0.00512 -0.01753 0.02446 176 4XZ 0.00132 -0.00484 -0.00054 -0.00029 -0.00619 177 4YZ 0.00292 -0.00129 0.00124 0.00150 -0.01100 178 18 H 1S 0.03737 0.03640 0.01421 -0.02173 0.20330 179 2S -0.31550 -0.18524 0.19143 -0.52841 -0.52053 180 19 H 1S 0.05064 -0.09290 -0.02190 -0.01354 -0.01490 181 2S -0.68165 0.16292 -0.35930 0.76595 1.04779 182 20 H 1S 0.05189 0.01108 0.03726 -0.09270 -0.03355 183 2S 0.45018 -0.05186 0.16092 0.00572 0.13047 184 21 H 1S 0.05609 0.06890 0.02897 0.00564 -0.00674 185 2S 0.00370 0.24191 0.27611 0.27849 -0.89417 186 22 H 1S -0.00430 0.03195 0.04957 0.02083 -0.02979 187 2S 0.32676 0.01264 0.18818 -0.00199 0.06221 188 23 H 1S 0.02719 -0.07146 0.06938 0.02452 -0.00623 189 2S 0.20344 -0.32243 0.14948 -0.09305 0.03342 190 24 H 1S 0.02117 0.03108 0.03477 -0.04705 0.01382 191 2S 0.17264 0.13168 -1.15564 -0.40182 0.18884 192 25 H 1S -0.02971 -0.01872 0.03505 0.01282 -0.03673 193 2S 0.03894 -0.16207 0.16512 0.08848 -0.14261 194 26 H 1S -0.00492 -0.00108 0.06801 0.02606 0.01760 195 2S -0.14524 -0.04173 0.12183 0.01160 0.01298 196 27 H 1S -0.02208 -0.01126 0.05538 0.03733 0.01100 197 2S -0.05920 -0.01395 0.15784 0.01702 0.00900 71 72 73 74 75 V V V V V Eigenvalues -- 0.44679 0.49426 0.50483 0.51310 0.52179 1 1 C 1S 0.00411 -0.00136 -0.00070 -0.00283 -0.00749 2 2S -0.00673 -0.11827 0.03761 0.04751 0.06526 3 2PX -0.21544 -0.23844 0.10489 0.01134 0.00585 4 2PY 0.15426 -0.23587 0.07060 0.24423 0.32287 5 2PZ 0.02153 0.03255 0.07534 -0.06566 -0.00244 6 3S -0.40633 0.35155 -0.02561 -0.07989 -0.10064 7 3PX 0.34228 0.45556 -0.18073 0.04696 0.10473 8 3PY -1.19407 0.29132 -0.00175 -0.14956 -0.16957 9 3PZ -0.04780 -0.05950 -0.06666 0.12546 -0.01470 10 4XX 0.00572 -0.00890 0.00485 0.01959 0.02719 11 4YY -0.03142 0.00126 -0.00472 -0.04123 -0.07165 12 4ZZ 0.02220 -0.01286 0.00566 0.02478 0.04146 13 4XY 0.00103 -0.01487 0.00450 -0.01046 -0.02282 14 4XZ 0.00680 -0.00045 -0.00814 0.00813 0.00242 15 4YZ -0.00067 0.00158 0.00264 -0.00430 0.00356 16 2 C 1S 0.05154 0.00331 -0.00521 -0.00514 0.00321 17 2S -0.14656 0.16656 -0.02071 -0.08790 -0.03525 18 2PX -0.25493 0.06864 -0.04874 0.06015 0.19137 19 2PY 0.16318 0.01359 -0.02084 -0.05521 -0.11361 20 2PZ 0.06114 -0.03134 -0.24491 -0.10449 -0.02155 21 3S -2.76938 -0.60014 0.48919 0.74785 1.23979 22 3PX -3.00994 -0.15596 0.42190 0.41244 0.61215 23 3PY 1.96800 0.28628 -0.25819 -0.16847 -0.33289 24 3PZ 0.57812 0.01976 0.07863 -0.08402 -0.14167 25 4XX -0.03750 -0.03431 0.01296 -0.02026 -0.02488 26 4YY -0.00213 0.05214 -0.00464 0.01653 0.07445 27 4ZZ 0.00463 0.00253 -0.00450 -0.00539 -0.02404 28 4XY 0.00336 -0.04923 0.01898 0.02726 0.02302 29 4XZ 0.00394 0.00818 -0.00411 -0.00452 0.00296 30 4YZ 0.00146 0.00949 0.00678 -0.00139 -0.00611 31 3 C 1S 0.00344 -0.00070 -0.00100 -0.00218 -0.00838 32 2S 0.07425 0.13956 -0.02019 0.03090 0.16210 33 2PX -0.14215 0.31843 -0.12495 -0.21984 -0.15110 34 2PY -0.05019 -0.22720 0.02455 -0.16117 -0.49772 35 2PZ 0.04993 -0.07402 -0.32622 -0.01765 0.03854 36 3S -0.80874 -0.28001 0.09408 -0.10895 -0.28086 37 3PX 1.07581 -0.39059 0.08366 0.15580 -0.01896 38 3PY 0.92214 0.39043 -0.14998 0.07722 0.37593 39 3PZ -0.23177 0.10513 0.55953 0.09877 -0.01375 40 4XX -0.02102 0.01478 0.00797 -0.00837 -0.00836 41 4YY 0.00547 0.03714 -0.00881 -0.01692 -0.01054 42 4ZZ 0.02316 -0.02039 -0.00475 0.02318 0.03394 43 4XY -0.00720 0.04474 -0.01520 -0.03530 -0.03596 44 4XZ 0.00590 -0.00527 0.03747 0.01517 0.00784 45 4YZ -0.00035 -0.00781 -0.00068 0.00529 0.00775 46 4 H 1S -0.13424 0.16927 -0.05436 -0.14479 -0.15179 47 2S -0.86065 -0.06281 0.14256 0.25747 0.41239 48 5 H 1S 0.03727 -0.12402 0.18349 0.11169 0.05466 49 2S 0.20388 0.04392 0.03710 -0.01076 -0.04862 50 6 H 1S 0.05355 -0.13883 -0.11096 0.04298 0.06977 51 2S 0.20959 0.02990 -0.09306 -0.06719 -0.04427 52 7 C 1S -0.05820 0.00428 0.01015 0.01575 0.02108 53 2S -0.10038 0.14791 0.03115 -0.08910 0.00521 54 2PX -0.00512 -0.01744 0.01170 0.07605 0.17874 55 2PY 0.09756 0.16470 -0.02934 -0.10248 -0.00612 56 2PZ -0.05927 -0.02616 -0.16608 -0.16898 -0.00463 57 3S 3.56382 0.36540 -0.63936 -0.41641 -0.57054 58 3PX -3.07554 -0.15003 0.26501 0.40393 0.91847 59 3PY 1.48978 0.16181 -0.22220 -0.31296 -0.44761 60 3PZ 0.64375 0.07385 -0.10308 0.08583 -0.17314 61 4XX 0.00639 0.07830 -0.00883 0.00387 0.03803 62 4YY -0.00629 -0.02451 0.02230 -0.00743 -0.01658 63 4ZZ -0.00325 -0.00289 -0.00649 -0.00341 -0.00519 64 4XY 0.03718 0.02960 0.00510 -0.01127 0.00385 65 4XZ 0.00184 -0.02440 0.00964 0.00573 -0.01483 66 4YZ -0.00771 -0.00986 0.01167 -0.00465 -0.00289 67 8 C 1S 0.00513 0.00537 -0.01063 -0.00505 0.00953 68 2S -0.03478 0.08833 -0.05579 0.01846 -0.01531 69 2PX -0.04509 -0.48277 -0.05912 0.06799 -0.16076 70 2PY -0.28794 0.03883 0.01161 0.01386 0.05503 71 2PZ 0.07283 -0.04827 -0.41538 -0.02310 0.01341 72 3S 0.63690 -0.32747 0.04526 -0.04093 -0.15560 73 3PX 0.12429 0.66495 -0.05196 -0.10093 0.45833 74 3PY -0.85945 -0.16564 0.15681 0.26563 0.49536 75 3PZ -0.06818 -0.09010 0.75551 -0.09640 -0.14057 76 4XX 0.03505 0.01156 -0.01838 0.00448 0.00795 77 4YY -0.04922 0.01927 -0.01284 0.01007 0.00361 78 4ZZ 0.01991 -0.01584 0.00232 -0.01412 -0.00910 79 4XY -0.00836 0.02562 0.00788 0.00414 0.02385 80 4XZ -0.00562 0.00245 -0.03727 -0.00300 0.01122 81 4YZ 0.00677 -0.01429 0.04912 0.00281 -0.01588 82 9 C 1S 0.01000 -0.00747 -0.00830 -0.00345 -0.00448 83 2S -0.01597 -0.02576 0.00233 0.03643 0.00990 84 2PX -0.04094 -0.03995 0.06879 0.18818 -0.05707 85 2PY 0.00508 -0.07156 -0.27810 0.10462 0.00770 86 2PZ -0.08970 0.03196 0.22127 0.04189 -0.06231 87 3S -0.35482 0.08241 0.00205 -0.00012 0.08921 88 3PX -0.13247 -0.01565 0.08460 -0.21505 -0.02911 89 3PY 0.37531 0.14612 0.49359 -0.16409 -0.21684 90 3PZ 0.51654 -0.13214 -0.39016 -0.13817 0.10097 91 4XX -0.00926 -0.01919 -0.01494 0.00822 -0.01472 92 4YY -0.00039 0.01918 0.06217 -0.01554 0.02035 93 4ZZ 0.00233 -0.01523 -0.05818 0.00982 -0.00226 94 4XY -0.00855 0.01460 0.02106 -0.00940 0.01676 95 4XZ 0.00604 -0.02349 -0.03059 0.00415 -0.00606 96 4YZ -0.01159 0.02432 -0.00309 0.00461 -0.00817 97 10 C 1S -0.02520 -0.01293 -0.00081 0.02010 -0.00910 98 2S -0.02908 -0.03905 0.19441 -0.01721 -0.15835 99 2PX 0.07012 0.10728 -0.02239 0.06195 -0.00476 100 2PY 0.03711 0.02497 0.00077 0.00081 0.04200 101 2PZ 0.04966 0.24090 0.00748 0.29049 -0.06426 102 3S 0.97200 0.27618 -0.16371 -0.05910 -0.03124 103 3PX 0.36605 0.43068 0.46060 -0.19814 -0.01778 104 3PY -0.73463 -0.20054 -0.34335 0.23205 0.22315 105 3PZ -0.21750 -0.06131 0.01801 -0.06752 0.02528 106 4XX 0.00061 0.00732 0.02899 0.02122 -0.00042 107 4YY -0.01429 -0.03101 0.01799 0.02438 -0.06442 108 4ZZ 0.00230 0.00701 -0.00244 -0.01931 0.01409 109 4XY -0.00408 -0.01109 -0.02952 0.01314 -0.01036 110 4XZ 0.00231 0.02714 -0.00227 -0.00409 0.01284 111 4YZ -0.00384 -0.00286 0.01143 -0.02054 0.01024 112 11 C 1S -0.00389 -0.00008 0.00146 -0.00028 0.00530 113 2S -0.03443 -0.07651 -0.06161 0.04479 -0.11528 114 2PX 0.09996 0.15194 0.31126 -0.17022 -0.00667 115 2PY 0.06927 0.19084 0.02310 -0.13578 0.32524 116 2PZ -0.00629 0.04833 0.02430 0.29455 -0.17526 117 3S 0.41937 0.22970 0.30631 -0.20672 0.01653 118 3PX -0.27962 -0.40824 -0.49985 0.24699 0.02496 119 3PY -0.05150 -0.12540 -0.07235 0.17046 -0.29539 120 3PZ -0.03903 -0.21923 0.09760 -0.52332 0.25823 121 4XX 0.00815 0.01632 0.02376 -0.00490 -0.00875 122 4YY 0.00833 -0.00181 0.00028 0.00220 -0.01391 123 4ZZ -0.01721 -0.02452 -0.02994 0.00418 0.00435 124 4XY 0.00008 0.00086 0.02481 -0.01338 -0.00674 125 4XZ -0.00202 -0.00783 0.01457 -0.03684 0.01679 126 4YZ 0.00450 0.00165 -0.01647 0.01636 -0.00551 127 12 H 1S 0.04389 0.08898 0.12305 -0.05109 -0.01118 128 2S 0.00139 0.07009 -0.03569 0.04818 -0.01971 129 13 H 1S -0.07190 -0.11502 -0.00270 -0.13348 0.09099 130 2S -0.19189 -0.22659 0.04333 -0.03771 0.00034 131 14 H 1S -0.00984 0.01143 -0.15096 0.17008 -0.02467 132 2S -0.08888 -0.03732 -0.06470 0.08299 -0.02055 133 15 C 1S 0.01414 0.01667 0.00672 -0.00348 0.01016 134 2S -0.02267 -0.09063 0.10843 0.01090 -0.15299 135 2PX 0.00090 -0.01312 -0.14515 0.04983 -0.13574 136 2PY -0.06783 -0.05134 0.06735 -0.00655 -0.06703 137 2PZ -0.05221 0.24605 0.05777 0.39144 -0.17110 138 3S -0.71009 -0.51303 -0.49505 0.03284 -0.14291 139 3PX 0.55909 -0.01796 0.37309 -0.36250 -0.40844 140 3PY -0.52631 -0.37597 -0.23807 0.09062 -0.02685 141 3PZ -0.01847 -0.28128 -0.13479 -0.23089 0.18777 142 4XX -0.00944 -0.01823 0.00714 -0.00763 -0.03633 143 4YY -0.00354 0.00013 0.00821 0.00625 0.00906 144 4ZZ 0.00419 -0.00117 -0.00202 -0.00241 0.00077 145 4XY -0.00466 -0.00059 0.00608 0.00713 0.00469 146 4XZ -0.00432 -0.00210 0.00133 0.00231 0.00181 147 4YZ -0.00015 0.01971 0.00295 0.01370 -0.00221 148 16 C 1S -0.00544 -0.01409 -0.01901 0.00256 -0.01674 149 2S -0.01975 -0.02934 0.05350 -0.01938 -0.05380 150 2PX -0.00765 0.01966 -0.05255 0.11745 0.00959 151 2PY 0.01544 0.02204 0.07140 -0.01626 -0.02008 152 2PZ 0.03921 0.14338 -0.02741 0.46478 -0.30199 153 3S 0.08393 0.29154 0.09883 0.06664 0.36255 154 3PX 0.11909 -0.24587 0.16260 -0.41022 -0.56341 155 3PY 0.38006 0.13275 0.16267 -0.13931 -0.09887 156 3PZ -0.08259 -0.04642 0.01825 -0.41168 0.43067 157 4XX -0.00713 -0.01829 -0.01478 -0.00027 -0.01846 158 4YY 0.00252 -0.00191 -0.00975 0.00628 -0.00674 159 4ZZ 0.00255 0.00696 0.01541 -0.00473 0.00116 160 4XY 0.01207 0.00256 -0.00931 0.00303 -0.01883 161 4XZ 0.00646 0.00015 0.00516 -0.01409 0.01284 162 4YZ -0.00260 0.00158 0.00321 0.00415 0.00029 163 17 O 1S 0.01119 0.00456 0.01053 -0.00670 -0.00341 164 2S 0.00286 -0.01434 0.00155 -0.01978 -0.01468 165 2PX -0.02042 0.02841 -0.02280 0.06158 0.07618 166 2PY 0.01050 0.00100 0.07462 -0.05968 -0.00603 167 2PZ 0.00337 0.00918 -0.00323 0.05118 -0.04939 168 3S -0.32950 -0.08232 -0.22857 0.20895 0.18841 169 3PX 0.06344 0.06107 0.05083 -0.00302 0.04457 170 3PY 0.10495 0.02157 0.08048 -0.05818 -0.09645 171 3PZ -0.01354 -0.01607 -0.01813 0.03173 -0.02521 172 4XX 0.00567 -0.00193 0.00660 -0.01368 -0.00087 173 4YY 0.00009 -0.00449 0.01034 -0.01307 0.00421 174 4ZZ 0.01412 0.00280 0.01222 -0.01035 -0.00966 175 4XY -0.00391 0.00114 0.01365 -0.01257 0.01215 176 4XZ 0.00134 0.00053 0.00191 -0.00742 0.00395 177 4YZ -0.00139 -0.00949 -0.00041 -0.02824 0.01584 178 18 H 1S -0.04522 -0.02601 -0.04419 0.03729 0.04233 179 2S 0.11199 0.09807 -0.00959 0.05136 0.07317 180 19 H 1S -0.01731 0.01063 0.06002 0.00199 0.05148 181 2S -0.18624 -0.18374 0.04941 -0.03783 -0.16590 182 20 H 1S -0.07395 0.09076 -0.09927 0.03889 -0.03627 183 2S -0.28635 0.01059 0.05363 0.06900 0.01378 184 21 H 1S 0.04222 0.04007 0.24688 -0.05786 0.04454 185 2S 0.38109 -0.03361 -0.02356 0.02143 -0.25120 186 22 H 1S 0.07379 -0.12764 0.24860 -0.04557 -0.08828 187 2S -0.29038 -0.02939 0.10606 0.01367 0.08037 188 23 H 1S -0.14279 0.06998 -0.09021 0.00700 -0.01224 189 2S 0.94186 0.16811 -0.20537 -0.30959 -0.42687 190 24 H 1S 0.00472 -0.10965 0.08139 -0.04668 -0.09716 191 2S 0.38849 0.29367 -0.08380 -0.21128 -0.13538 192 25 H 1S -0.15901 0.05911 -0.03325 -0.13716 -0.22510 193 2S -0.66068 -0.09623 0.08510 0.20705 0.32367 194 26 H 1S 0.07163 0.01725 0.00623 0.03901 0.13984 195 2S 0.18610 -0.00580 -0.08099 -0.05297 -0.05234 196 27 H 1S 0.09118 0.02655 -0.01442 0.11362 0.13391 197 2S 0.16943 0.00718 0.02723 -0.00031 -0.05080 76 77 78 79 80 V V V V V Eigenvalues -- 0.53223 0.53882 0.54708 0.55606 0.57224 1 1 C 1S -0.00571 -0.00409 0.00500 -0.01488 -0.00953 2 2S 0.09490 0.05697 -0.11017 0.17827 0.10185 3 2PX 0.23787 0.01629 -0.23409 0.45313 0.32450 4 2PY 0.16991 0.12779 -0.08587 0.11303 0.06303 5 2PZ 0.27001 -0.16333 -0.01823 -0.43587 0.25408 6 3S -0.21243 -0.27745 0.40505 -0.15248 -0.20391 7 3PX -0.34024 0.07793 0.30175 -0.56620 -0.40578 8 3PY -0.26925 -0.42977 0.47965 -0.08678 -0.36433 9 3PZ -0.58179 0.31344 0.03583 0.80960 -0.56765 10 4XX -0.00325 0.00369 0.02098 0.01351 -0.01960 11 4YY -0.01316 -0.01410 -0.03043 0.02298 0.02133 12 4ZZ 0.02201 0.00885 0.00036 -0.02379 0.00188 13 4XY 0.00384 -0.00892 -0.01375 -0.00265 0.00807 14 4XZ -0.02795 0.01945 0.00254 0.02692 -0.02782 15 4YZ 0.02952 -0.01331 -0.00206 -0.03401 0.03055 16 2 C 1S 0.02388 0.04008 -0.03288 0.04029 0.06695 17 2S -0.00785 -0.01081 -0.03573 0.14662 -0.03295 18 2PX 0.11046 -0.00799 0.02377 0.05237 -0.05942 19 2PY -0.03853 -0.02329 -0.06080 -0.00078 0.01966 20 2PZ 0.33510 -0.14789 0.05733 -0.17811 0.10013 21 3S 0.22412 -0.43930 0.98884 0.33020 -0.40238 22 3PX -0.19304 -0.92704 1.24962 0.01822 -0.92914 23 3PY 0.06004 0.51149 -0.49407 -0.11420 0.68251 24 3PZ 0.03217 0.17759 -0.26876 -0.06766 0.24266 25 4XX 0.03668 0.00704 -0.05172 0.08210 0.06057 26 4YY 0.03442 0.04827 0.01095 0.06520 0.06104 27 4ZZ -0.03145 -0.01992 0.01371 -0.04290 -0.04817 28 4XY 0.01402 -0.00886 -0.00974 0.02628 -0.02165 29 4XZ 0.01071 -0.02005 0.01184 -0.03628 -0.02360 30 4YZ -0.01112 0.00673 -0.00348 -0.01395 0.01810 31 3 C 1S -0.00493 -0.00863 -0.00120 -0.00845 -0.01549 32 2S 0.06864 0.16354 0.01802 0.06438 0.17885 33 2PX -0.03394 0.04424 0.07130 0.14560 0.16290 34 2PY -0.20646 -0.30439 -0.10830 -0.22708 -0.31919 35 2PZ 0.12572 -0.04535 0.11727 0.09941 -0.19533 36 3S -0.17613 -0.42950 0.13518 0.04838 -0.37552 37 3PX 0.04717 0.22568 -0.48741 -0.22381 0.09210 38 3PY 0.20388 0.52357 -0.03169 0.24398 0.73280 39 3PZ -0.33757 0.07620 -0.14998 -0.10555 0.24401 40 4XX -0.00842 0.00134 0.00310 0.00213 0.01261 41 4YY -0.01005 0.00319 0.00587 -0.00022 0.01017 42 4ZZ 0.01913 0.01218 0.00002 -0.00480 -0.01131 43 4XY -0.01180 0.00813 0.00070 -0.01278 0.01893 44 4XZ -0.01505 0.00995 -0.01941 -0.01721 0.01920 45 4YZ 0.00409 -0.00357 0.00305 0.00968 -0.01271 46 4 H 1S -0.06208 -0.02531 0.03225 -0.03429 -0.00840 47 2S 0.07557 -0.17521 0.28540 0.04285 -0.35176 48 5 H 1S -0.06200 0.03017 -0.09911 -0.05173 0.00942 49 2S -0.09448 0.11481 -0.12884 -0.01726 0.02016 50 6 H 1S 0.12581 -0.04518 0.02530 0.03080 -0.14104 51 2S 0.11690 0.03421 -0.07590 -0.09828 0.04535 52 7 C 1S -0.00850 -0.03374 0.02464 0.00738 -0.04321 53 2S 0.14085 0.17982 -0.16791 0.23446 0.10027 54 2PX 0.06852 -0.07833 0.20976 -0.24305 -0.31678 55 2PY 0.02421 0.13658 0.02626 0.01344 0.21294 56 2PZ 0.46232 -0.20895 -0.00282 -0.09498 0.08545 57 3S -0.18273 0.87561 -0.88205 -0.60947 1.03783 58 3PX -0.13997 -0.43048 0.84755 0.27000 -0.50330 59 3PY 0.00132 0.38130 -0.74724 -0.05655 0.23368 60 3PZ -0.52568 0.31111 -0.13258 0.26292 -0.03224 61 4XX -0.01406 0.02193 0.01297 -0.00565 -0.01789 62 4YY 0.02224 -0.00758 -0.05040 0.05547 -0.02736 63 4ZZ 0.00491 0.00849 0.00903 -0.01794 0.01732 64 4XY 0.00471 -0.00196 0.00405 0.00912 0.01473 65 4XZ -0.02131 0.00878 0.00398 -0.01120 0.02698 66 4YZ 0.02175 -0.01254 -0.00139 -0.02220 0.01553 67 8 C 1S -0.00758 0.01393 0.00617 -0.00701 0.00813 68 2S -0.01363 0.05636 0.08155 0.01507 0.00482 69 2PX 0.02225 0.01437 0.07963 -0.10589 0.11514 70 2PY 0.11130 0.14570 -0.04927 -0.07865 -0.02450 71 2PZ -0.10018 -0.02249 0.26917 0.14789 0.03441 72 3S 0.23964 -0.51567 -0.26890 0.31106 -0.23935 73 3PX -0.07427 0.07806 -0.03407 -0.14387 -0.08087 74 3PY -0.15484 -0.38096 0.69643 0.05927 -0.28091 75 3PZ 0.31096 -0.04362 -0.49317 -0.18105 0.00647 76 4XX 0.00399 0.00828 0.02279 0.00020 -0.01694 77 4YY -0.00230 0.02771 -0.00645 -0.02634 0.00983 78 4ZZ -0.00439 -0.02425 0.01214 0.02941 0.00856 79 4XY -0.00022 0.00444 0.03300 -0.01394 -0.01073 80 4XZ -0.00547 -0.01662 0.00696 0.03084 -0.00673 81 4YZ -0.00574 -0.00270 -0.00444 -0.00275 0.00285 82 9 C 1S 0.01311 -0.00782 -0.00948 -0.00012 -0.00085 83 2S -0.06800 0.01525 0.04447 -0.01347 0.10230 84 2PX -0.27607 0.08888 0.32512 -0.22341 0.35136 85 2PY -0.10687 0.11776 -0.06941 -0.09603 0.05123 86 2PZ 0.07713 0.22046 -0.23157 -0.22874 -0.15194 87 3S -0.38445 -0.02338 0.22308 0.29402 -0.14759 88 3PX 0.28092 -0.18204 -0.44244 0.54322 -0.51503 89 3PY 0.15772 -0.06159 -0.12285 0.20593 -0.12980 90 3PZ -0.18979 -0.39822 0.28689 0.31447 0.26089 91 4XX -0.02306 0.00732 -0.01480 0.01082 0.02234 92 4YY 0.00735 -0.03883 0.01813 0.00969 -0.00807 93 4ZZ -0.00108 0.02222 -0.00185 -0.00999 0.00035 94 4XY -0.00443 -0.02342 -0.00278 -0.00108 0.01966 95 4XZ -0.01428 -0.02248 0.04053 0.01977 0.00929 96 4YZ 0.01329 0.03547 -0.04481 -0.01718 -0.01257 97 10 C 1S -0.02715 0.01686 0.03833 -0.01022 0.03354 98 2S 0.13914 0.06592 0.14075 0.05126 0.02056 99 2PX 0.05927 0.06208 0.22167 0.01849 -0.13761 100 2PY -0.10272 -0.07061 -0.09409 0.00166 -0.01756 101 2PZ 0.02069 0.03828 -0.08019 -0.10996 -0.04532 102 3S 0.21985 0.31425 0.31918 -0.24119 0.12054 103 3PX -0.09684 -0.02604 -0.38485 0.30887 -0.15498 104 3PY -0.38814 -0.11848 0.20929 -0.06347 0.29277 105 3PZ 0.06706 0.03552 0.01407 -0.06402 0.04192 106 4XX -0.03859 -0.00687 0.04762 -0.02386 0.06415 107 4YY 0.01829 0.07231 0.06928 -0.00775 0.03064 108 4ZZ 0.01443 -0.02340 -0.03942 0.01629 -0.03198 109 4XY -0.01540 0.03817 -0.00847 -0.01820 0.00531 110 4XZ 0.02140 0.00348 -0.02794 0.00035 -0.03591 111 4YZ 0.00397 0.00132 -0.00155 -0.00082 -0.00129 112 11 C 1S -0.00097 -0.01218 -0.00931 0.00237 -0.00641 113 2S 0.03471 0.20881 0.15306 -0.02100 0.04707 114 2PX 0.10660 -0.03019 0.17848 0.11386 -0.08861 115 2PY -0.06709 -0.46299 -0.30075 0.07798 -0.11251 116 2PZ 0.03814 -0.16083 0.06116 0.07287 0.08175 117 3S 0.11246 -0.21073 -0.27048 0.07107 -0.12897 118 3PX -0.11946 0.05251 -0.21307 -0.29145 0.20159 119 3PY -0.07408 0.50967 0.41735 -0.08029 0.21730 120 3PZ -0.02502 0.22891 -0.07513 -0.08814 -0.17168 121 4XX 0.01203 -0.00707 0.02519 0.01865 -0.00367 122 4YY 0.00181 0.01789 0.00096 0.00091 -0.00591 123 4ZZ -0.00182 0.01770 -0.01325 -0.01634 0.00294 124 4XY 0.02258 -0.00635 0.01763 0.01557 -0.01381 125 4XZ 0.00361 0.01867 0.00227 -0.00568 -0.01512 126 4YZ -0.00889 -0.00924 -0.00175 0.00342 0.00885 127 12 H 1S 0.08061 -0.07995 0.08794 0.10198 -0.06600 128 2S -0.01637 0.05879 0.02794 0.04548 -0.06953 129 13 H 1S -0.00574 0.05525 -0.06559 -0.06463 -0.03049 130 2S 0.04714 -0.02417 -0.00345 -0.00373 -0.04123 131 14 H 1S -0.06142 -0.07141 -0.08326 -0.02413 0.06214 132 2S 0.05312 0.02455 -0.01288 -0.06719 0.00379 133 15 C 1S 0.00359 -0.01146 0.00577 0.00554 -0.01026 134 2S 0.05502 0.16678 0.27211 -0.00149 0.06404 135 2PX 0.13604 0.23633 -0.29701 0.00083 -0.27003 136 2PY 0.03952 0.08033 0.15811 0.01446 0.03611 137 2PZ 0.13684 -0.01926 -0.10254 -0.08600 -0.06100 138 3S 0.37058 0.30588 0.08730 -0.01172 -0.26780 139 3PX 0.84935 0.33614 0.60934 0.23833 -0.20607 140 3PY -0.04324 0.02599 -0.05410 -0.12818 0.06055 141 3PZ -0.30517 -0.19563 0.10765 0.14154 0.18863 142 4XX 0.05077 0.05194 0.04282 0.01350 -0.03984 143 4YY -0.02169 -0.01818 0.02738 -0.00469 0.02462 144 4ZZ -0.00259 0.00075 -0.01264 -0.00255 0.00298 145 4XY -0.02537 -0.00637 -0.00324 -0.00863 0.02277 146 4XZ -0.00561 -0.01211 -0.01529 -0.00101 0.00843 147 4YZ 0.01138 0.01111 -0.00862 -0.00979 -0.01490 148 16 C 1S 0.01479 0.02515 -0.02497 0.00116 -0.02063 149 2S 0.04207 0.08787 0.17575 0.01978 -0.02371 150 2PX -0.10212 -0.16964 -0.14603 -0.00950 0.16916 151 2PY 0.03730 -0.00295 0.13238 0.02382 0.04118 152 2PZ 0.19566 -0.26655 0.07444 0.23817 -0.00685 153 3S -0.53850 -0.38593 -0.18068 -0.09205 0.25312 154 3PX 1.02008 0.95728 0.49795 0.19296 -0.74019 155 3PY 0.21331 0.16741 0.11598 0.04667 -0.12929 156 3PZ -0.35944 0.21658 -0.20599 -0.37072 0.06260 157 4XX 0.00238 0.03725 -0.01723 -0.00069 -0.01829 158 4YY 0.00507 0.00931 -0.00725 0.00172 -0.01552 159 4ZZ 0.00746 -0.00579 0.02401 0.00303 0.00555 160 4XY 0.03221 0.02318 -0.00323 0.00823 -0.03492 161 4XZ -0.00679 -0.00941 0.01485 0.00094 0.00985 162 4YZ -0.00274 -0.01050 0.00335 0.00356 0.00866 163 17 O 1S 0.00904 0.00531 0.01433 0.00219 -0.00023 164 2S 0.00559 0.05006 -0.00623 0.00006 -0.03329 165 2PX -0.12542 -0.15608 -0.06382 -0.02671 0.12180 166 2PY 0.02633 0.02976 0.09221 0.01112 0.00972 167 2PZ 0.03525 -0.00925 0.01138 0.02634 -0.00793 168 3S -0.34405 -0.33284 -0.27201 -0.09038 0.23101 169 3PX -0.05779 -0.05486 0.04566 -0.00704 0.05392 170 3PY 0.15882 0.12418 0.12938 0.04318 -0.07756 171 3PZ 0.01439 -0.03386 -0.00001 0.03479 -0.00152 172 4XX 0.00548 0.01581 0.00224 -0.00147 -0.01078 173 4YY -0.01119 0.00835 0.01069 -0.00518 0.01341 174 4ZZ 0.01450 0.01647 0.01356 0.00640 -0.01350 175 4XY -0.01073 -0.00665 0.01749 -0.00305 0.01437 176 4XZ -0.00161 0.01019 -0.00138 -0.00766 -0.00254 177 4YZ -0.00752 0.02034 -0.00661 -0.01301 -0.00631 178 18 H 1S -0.13039 -0.05323 -0.10118 -0.03917 0.07524 179 2S -0.11155 -0.12534 -0.05517 -0.02582 0.07904 180 19 H 1S -0.09399 -0.08364 0.09484 -0.01304 0.10582 181 2S 0.20960 0.20169 0.15073 -0.01366 -0.06588 182 20 H 1S 0.12261 0.19605 -0.15323 -0.09247 -0.07862 183 2S 0.08617 -0.08389 0.06610 0.01453 -0.00960 184 21 H 1S 0.07185 -0.16347 0.07590 0.03401 -0.05126 185 2S 0.13779 0.15052 -0.19358 -0.00839 -0.00076 186 22 H 1S -0.02494 -0.03848 -0.01890 0.04700 0.06648 187 2S 0.00455 0.01824 0.10400 -0.00929 -0.01389 188 23 H 1S -0.00655 0.15386 -0.13450 -0.10379 0.10480 189 2S -0.07158 0.29425 -0.41452 0.00908 0.38522 190 24 H 1S 0.04395 -0.09830 -0.14849 0.21895 -0.10580 191 2S -0.00910 0.17443 -0.18768 0.02985 0.15542 192 25 H 1S -0.06987 -0.06143 -0.04853 0.02014 0.02425 193 2S 0.01824 -0.13424 0.27025 0.02550 -0.23379 194 26 H 1S 0.18766 -0.05038 0.03090 -0.24204 0.10448 195 2S 0.11715 0.00697 -0.08210 -0.15633 0.14817 196 27 H 1S -0.15757 0.12746 0.07319 0.08925 -0.18966 197 2S -0.11238 0.11702 -0.10423 0.05247 -0.04434 81 82 83 84 85 V V V V V Eigenvalues -- 0.58416 0.59882 0.61399 0.63058 0.63473 1 1 C 1S 0.00166 0.00555 -0.00004 0.00582 -0.00762 2 2S -0.03167 -0.03400 0.00997 -0.12396 -0.03647 3 2PX 0.01800 -0.18042 -0.01264 -0.07169 0.31561 4 2PY -0.04921 0.00344 0.01707 -0.14574 -0.12898 5 2PZ 0.24150 -0.00838 -0.01606 -0.06373 0.05978 6 3S 0.19401 -0.11269 -0.07206 0.68270 0.73793 7 3PX -0.07148 0.28994 0.01221 0.03610 -0.60089 8 3PY 0.29889 -0.19453 -0.02657 0.62932 0.77200 9 3PZ -0.42646 0.05733 0.03466 0.14762 -0.17829 10 4XX 0.00333 -0.00543 -0.00151 0.05120 0.04554 11 4YY -0.01085 -0.00711 -0.00136 -0.03230 -0.00870 12 4ZZ 0.00669 0.00933 0.00372 -0.02253 -0.03548 13 4XY -0.00006 0.00026 -0.00082 -0.00717 -0.00496 14 4XZ -0.03396 0.00817 0.00273 -0.00529 -0.03385 15 4YZ 0.02161 -0.00619 -0.00188 -0.00825 0.01805 16 2 C 1S -0.02299 0.00358 -0.01080 0.00253 -0.00514 17 2S 0.10465 -0.05380 0.05500 -0.12614 0.09277 18 2PX 0.02724 -0.05860 0.07382 -0.30077 -0.11405 19 2PY -0.02090 -0.03065 0.00190 -0.04145 0.11677 20 2PZ -0.14641 -0.12915 0.00511 0.02916 0.24015 21 3S 0.35298 -0.21940 -0.07841 0.61001 0.02792 22 3PX 0.70564 -0.43340 -0.06655 1.54914 1.51702 23 3PY -0.41270 0.33382 -0.11099 -0.40368 -0.82951 24 3PZ -0.10469 0.17011 -0.00588 -0.22487 -0.47581 25 4XX -0.01046 -0.00911 -0.00562 -0.02437 -0.01309 26 4YY 0.00899 -0.01097 -0.00920 0.04518 0.04809 27 4ZZ 0.00664 0.00392 0.00822 -0.00643 -0.00111 28 4XY 0.01822 -0.02254 0.01057 -0.00374 0.05774 29 4XZ 0.01879 0.00522 0.00445 0.00598 -0.01056 30 4YZ 0.00843 0.00546 -0.00387 -0.00662 -0.00082 31 3 C 1S 0.00108 -0.00111 0.00439 -0.01514 -0.00502 32 2S -0.01925 0.05474 -0.02664 0.06151 -0.08986 33 2PX -0.01068 -0.02983 -0.03559 0.26499 0.22960 34 2PY 0.01103 -0.01399 0.07232 -0.27697 -0.08274 35 2PZ -0.36983 -0.07199 0.03696 0.02603 0.00426 36 3S 0.23280 -0.25421 0.03136 0.37803 0.84029 37 3PX -0.13313 0.23303 0.04728 -0.82211 -0.84693 38 3PY -0.16704 0.12323 -0.17398 0.30006 -0.11566 39 3PZ 0.78285 0.13631 -0.07610 -0.02679 0.02814 40 4XX 0.02161 0.00164 -0.00407 0.01588 0.01023 41 4YY 0.00556 -0.00145 -0.00189 0.01361 0.02357 42 4ZZ -0.02417 0.00671 0.00603 -0.02054 -0.03910 43 4XY -0.01438 0.01738 -0.00616 -0.00536 -0.04681 44 4XZ 0.05302 0.01664 -0.00343 -0.02584 -0.02114 45 4YZ -0.00531 -0.00530 0.00275 0.00613 0.00717 46 4 H 1S 0.00369 0.02171 0.00118 -0.01810 -0.06960 47 2S 0.15725 -0.16214 0.06519 0.15154 0.31614 48 5 H 1S 0.19609 0.05952 0.00690 -0.14688 -0.09999 49 2S 0.03310 0.11654 0.00844 -0.23876 -0.33085 50 6 H 1S -0.19344 -0.05462 0.04802 -0.04261 -0.00555 51 2S -0.16779 0.03879 0.02778 -0.22006 -0.22927 52 7 C 1S 0.02267 -0.02323 0.01150 -0.03279 0.02266 53 2S 0.00374 0.06593 0.02596 -0.10935 -0.11142 54 2PX 0.15541 0.04418 0.04588 0.27865 0.16878 55 2PY -0.03932 0.12101 -0.06023 0.10240 -0.17408 56 2PZ -0.03016 0.01744 -0.01156 0.01978 -0.28505 57 3S -0.61702 0.39821 -0.00594 -1.11697 -1.08148 58 3PX 0.46004 -0.29270 0.06265 0.13541 0.05943 59 3PY -0.25275 0.06371 0.13746 -0.56831 -0.11841 60 3PZ -0.03821 -0.00320 -0.01507 -0.15820 0.29295 61 4XX 0.01982 -0.00459 0.01504 -0.06415 0.00566 62 4YY 0.00955 -0.01719 0.02046 -0.06525 0.00939 63 4ZZ -0.01233 0.01699 -0.01099 0.04437 -0.01780 64 4XY 0.00203 -0.01135 -0.00321 0.01010 0.03646 65 4XZ -0.01394 0.00867 -0.01393 0.01845 0.00639 66 4YZ -0.00180 -0.00068 -0.00163 0.00104 -0.00309 67 8 C 1S 0.02765 0.01997 -0.00094 0.01688 -0.01150 68 2S -0.15087 -0.08375 0.01447 -0.14628 0.06728 69 2PX -0.24956 0.09640 -0.12139 0.34245 -0.08791 70 2PY -0.12170 0.13953 0.01961 0.11353 -0.33249 71 2PZ -0.13556 -0.03445 -0.05848 -0.22403 0.10966 72 3S 0.47877 0.01384 0.09189 -0.08619 0.11502 73 3PX 0.45634 -0.01207 0.27545 -0.58508 0.05996 74 3PY 0.38231 -0.39426 -0.00972 -0.06886 0.59811 75 3PZ 0.16591 0.19150 0.11260 0.21414 -0.27539 76 4XX 0.02659 0.00373 0.00854 -0.00487 0.02754 77 4YY -0.03369 0.01735 -0.00509 -0.01678 -0.03394 78 4ZZ 0.02254 -0.01574 0.00320 0.00715 0.00917 79 4XY -0.00063 0.00182 -0.00295 0.02175 0.00309 80 4XZ 0.05630 0.00505 0.01004 -0.02508 -0.02930 81 4YZ -0.03322 -0.00668 -0.00643 0.02107 0.00900 82 9 C 1S -0.02645 -0.00812 0.00218 -0.00282 0.00821 83 2S 0.20844 0.06347 -0.00087 -0.17934 -0.03845 84 2PX -0.28293 -0.06801 -0.12599 -0.09907 0.19300 85 2PY 0.22562 0.05354 0.03335 -0.19838 0.11915 86 2PZ -0.44100 0.00826 -0.06986 0.08294 0.12419 87 3S -0.34785 -0.25630 -0.07768 0.93351 0.09215 88 3PX 0.30957 0.10653 0.18083 0.18724 -0.48451 89 3PY -0.48715 -0.13913 -0.04231 0.74703 -0.25718 90 3PZ 0.85072 0.08677 0.17622 -0.39092 -0.05461 91 4XX 0.00175 -0.02391 -0.00209 0.02483 0.00370 92 4YY -0.01363 0.01039 -0.00181 -0.01532 -0.00933 93 4ZZ 0.01902 0.01431 0.00067 -0.03122 0.00665 94 4XY -0.01979 0.01134 -0.00573 -0.02454 -0.01934 95 4XZ -0.01597 -0.00677 -0.01362 -0.02253 -0.00174 96 4YZ -0.00390 0.00497 0.00339 -0.00011 -0.00619 97 10 C 1S -0.00011 0.00212 0.03501 -0.01985 0.00129 98 2S -0.13737 -0.09742 -0.36307 0.00452 -0.14299 99 2PX 0.15986 -0.01418 -0.24289 -0.25857 0.02680 100 2PY -0.00375 -0.03985 0.02652 0.07942 0.03335 101 2PZ 0.01476 -0.39244 0.09670 -0.10487 0.14049 102 3S 0.33718 0.08681 1.06426 -0.11660 0.59429 103 3PX -0.18743 -0.34111 0.46317 1.30569 0.04287 104 3PY -0.00264 0.25348 0.04924 -0.68324 -0.18485 105 3PZ -0.20166 0.18439 -0.15767 0.02010 -0.35228 106 4XX -0.02438 -0.01000 -0.00894 -0.03642 0.01497 107 4YY 0.00119 -0.01586 0.05455 0.00988 -0.00989 108 4ZZ -0.00139 0.00067 -0.03169 0.01646 -0.01476 109 4XY 0.02974 -0.01505 -0.04125 0.03124 0.01857 110 4XZ 0.01570 0.00222 0.00403 -0.00475 0.01726 111 4YZ -0.00920 0.01229 0.00816 0.00118 -0.00907 112 11 C 1S -0.00811 -0.00168 -0.01977 -0.00128 -0.00692 113 2S 0.07532 -0.00260 0.16139 -0.06771 0.01696 114 2PX -0.04291 -0.12120 0.08843 0.13217 -0.01931 115 2PY -0.15180 0.06074 -0.35778 -0.08695 -0.03176 116 2PZ 0.01822 -0.40631 0.01346 0.17501 -0.40282 117 3S -0.07090 -0.15328 -0.20120 0.47761 0.02868 118 3PX -0.00743 0.34633 -0.14024 -0.60921 -0.05565 119 3PY 0.23782 -0.05595 0.71580 0.10085 0.09194 120 3PZ -0.10310 0.86979 -0.03802 -0.30017 0.90519 121 4XX -0.00667 -0.02505 0.02048 0.00938 -0.01978 122 4YY 0.01010 -0.01640 -0.00508 0.02065 0.00236 123 4ZZ 0.00386 0.03491 -0.00367 -0.03302 0.01546 124 4XY -0.01465 0.00888 0.01538 -0.01584 -0.01040 125 4XZ -0.00668 0.05488 0.00027 -0.01417 0.05440 126 4YZ 0.01566 -0.02305 -0.00234 0.00195 -0.01075 127 12 H 1S -0.03567 -0.07658 -0.02405 -0.00308 -0.08556 128 2S 0.09103 -0.07664 -0.11887 0.16310 0.09643 129 13 H 1S -0.08628 0.27756 -0.10275 -0.09946 0.15065 130 2S -0.10544 0.22482 -0.11223 -0.16502 0.11836 131 14 H 1S 0.05743 -0.20583 -0.09268 0.00480 -0.15464 132 2S -0.04253 -0.06608 -0.06250 -0.17371 -0.21794 133 15 C 1S 0.00585 -0.00326 -0.05735 -0.00395 -0.00181 134 2S -0.02241 -0.05373 -0.32009 -0.11544 -0.01019 135 2PX 0.18206 -0.11313 -0.21978 0.26434 0.11853 136 2PY -0.03533 0.04234 0.24011 -0.09030 -0.01262 137 2PZ -0.32908 0.04166 -0.01766 -0.30885 0.19215 138 3S 0.26006 0.41006 -0.01467 -1.01510 -0.37860 139 3PX 0.03598 0.16080 0.27653 -0.30999 -0.16853 140 3PY 0.07233 0.04652 -0.73597 -0.34114 -0.12405 141 3PZ 0.41033 0.16353 0.01319 0.38677 -0.12064 142 4XX 0.02836 0.00432 -0.10958 -0.02436 -0.01350 143 4YY -0.01699 -0.00505 -0.12696 -0.03374 -0.00059 144 4ZZ -0.00126 -0.00702 0.07391 0.01560 0.00465 145 4XY -0.01157 -0.00660 0.00025 0.00917 0.01546 146 4XZ -0.02258 0.03558 0.03356 0.01298 0.01243 147 4YZ -0.00645 -0.00172 0.00244 -0.01417 0.01913 148 16 C 1S 0.01994 -0.01005 -0.02563 0.01974 -0.00237 149 2S 0.06223 -0.04805 -0.44968 -0.10254 0.00731 150 2PX -0.11570 0.11118 0.45556 0.15936 0.06396 151 2PY -0.06337 0.10201 0.25243 -0.08229 0.05495 152 2PZ 0.13438 0.59442 -0.13706 0.12410 0.06178 153 3S -0.21205 0.02824 0.91496 0.39243 0.21316 154 3PX 0.41493 -0.06345 -0.51439 -0.45844 -0.19953 155 3PY 0.08542 -0.13262 -0.05150 0.18198 0.01823 156 3PZ -0.30299 -0.85452 0.15104 -0.21064 -0.04241 157 4XX 0.03185 -0.03320 -0.07342 0.03737 0.00611 158 4YY 0.02157 -0.01196 -0.08297 0.00746 -0.00644 159 4ZZ -0.01577 0.01757 0.03551 -0.02493 0.00316 160 4XY 0.02805 -0.00326 0.00389 0.00738 -0.01366 161 4XZ 0.00170 -0.01478 0.02776 -0.00998 -0.01487 162 4YZ -0.00456 0.02273 0.00507 0.00485 0.00319 163 17 O 1S -0.00320 0.00451 0.01990 -0.00292 0.00466 164 2S 0.03839 -0.00816 -0.05017 0.03065 0.03057 165 2PX -0.08260 -0.00839 -0.00140 0.01827 -0.01568 166 2PY -0.03216 0.04310 0.09445 -0.04470 0.04520 167 2PZ 0.02727 0.02937 0.00183 0.02941 -0.03090 168 3S -0.13601 -0.01932 -0.17119 -0.08466 -0.10138 169 3PX -0.03677 0.03824 0.14962 0.03764 0.06941 170 3PY 0.04023 0.01157 0.14097 -0.00298 0.00096 171 3PZ 0.02954 0.11350 -0.04799 0.01402 0.02764 172 4XX 0.00540 -0.00559 -0.02034 -0.00150 0.00827 173 4YY -0.01045 0.00505 0.04102 0.00201 0.02415 174 4ZZ 0.01185 0.01728 0.01010 0.00979 0.01593 175 4XY -0.01724 0.00251 0.01894 -0.01769 0.00859 176 4XZ -0.00438 -0.02867 0.00867 -0.00549 -0.00577 177 4YZ -0.00240 -0.03092 -0.00418 -0.00485 -0.00236 178 18 H 1S -0.01269 -0.06318 -0.26957 0.08945 0.03858 179 2S -0.02826 -0.05676 0.02362 0.11845 0.02145 180 19 H 1S -0.06442 -0.03225 -0.43695 -0.08313 0.00247 181 2S 0.08057 -0.01051 -0.18369 -0.07686 -0.06122 182 20 H 1S -0.04376 -0.01290 0.03371 0.00496 0.00210 183 2S -0.21047 -0.07961 -0.03546 -0.09971 -0.05820 184 21 H 1S -0.15129 0.00242 -0.01612 -0.03000 0.01357 185 2S -0.17844 -0.08108 0.00277 0.20324 -0.06514 186 22 H 1S -0.05296 -0.00572 -0.01930 0.09298 0.05709 187 2S 0.13247 0.09211 0.01046 0.04393 -0.11862 188 23 H 1S -0.03814 0.14576 -0.01723 -0.03651 -0.16214 189 2S -0.09532 0.25525 -0.01201 0.03759 -0.14537 190 24 H 1S 0.05770 -0.11372 0.06895 -0.20494 0.11136 191 2S -0.06797 0.04740 0.02365 -0.06073 0.00838 192 25 H 1S -0.01446 -0.01408 -0.00160 -0.08256 -0.04164 193 2S 0.17552 -0.10772 0.01346 0.29899 0.34089 194 26 H 1S 0.12457 -0.00080 0.00087 -0.03649 0.01914 195 2S -0.05969 0.03774 -0.00061 -0.18219 -0.20828 196 27 H 1S -0.10747 0.07148 0.01127 0.05423 -0.15865 197 2S -0.07511 0.11592 0.00818 -0.15053 -0.36265 86 87 88 89 90 V V V V V Eigenvalues -- 0.64392 0.68190 0.69902 0.71053 0.71368 1 1 C 1S 0.00080 -0.00155 -0.00127 0.00514 -0.00625 2 2S -0.08312 0.03920 -0.02502 0.00715 0.01891 3 2PX 0.09992 -0.04552 0.02357 -0.11473 0.11411 4 2PY -0.12578 0.02876 -0.00786 0.00125 -0.02432 5 2PZ -0.07398 -0.02327 -0.10700 -0.09239 -0.10365 6 3S 0.72049 -0.35407 0.23182 -0.11719 -0.02480 7 3PX -0.18417 0.08741 -0.05001 0.27119 -0.20764 8 3PY 0.54003 -0.15141 0.09062 -0.10411 0.12685 9 3PZ 0.21787 0.15480 0.30087 0.31888 0.32691 10 4XX 0.04398 -0.02515 0.02331 0.00303 -0.00076 11 4YY -0.00993 0.00846 -0.00823 -0.00695 0.01453 12 4ZZ -0.03415 0.01400 -0.01585 0.00620 -0.01681 13 4XY -0.00156 -0.00373 -0.00364 0.00337 -0.01119 14 4XZ -0.01310 0.00516 0.01709 0.01595 0.01274 15 4YZ -0.00847 -0.00211 -0.01678 -0.01567 -0.00863 16 2 C 1S 0.01056 0.00222 -0.00072 -0.01026 0.00772 17 2S -0.05694 -0.10867 0.05725 0.20133 -0.10343 18 2PX -0.34285 0.08966 -0.09001 0.11759 -0.01964 19 2PY 0.05498 -0.06304 0.10069 -0.08953 0.09115 20 2PZ -0.17521 -0.10792 -0.09889 0.01089 0.00969 21 3S -0.06220 0.72916 -0.46189 -0.04698 -0.05934 22 3PX 1.20487 -0.33849 0.27617 -0.19510 -0.10732 23 3PY -0.14857 -0.02280 -0.16649 0.15349 -0.19295 24 3PZ -0.10173 -0.10097 0.13122 -0.16616 -0.09391 25 4XX 0.00736 0.00236 0.00615 0.00672 -0.00576 26 4YY 0.03071 -0.00720 0.00247 0.00519 0.00130 27 4ZZ -0.01533 -0.00825 0.00104 0.00369 -0.00816 28 4XY 0.01294 -0.02128 0.01647 0.00455 -0.00199 29 4XZ 0.00806 0.00965 0.00745 0.00743 0.00046 30 4YZ -0.00367 0.00165 -0.01056 -0.00731 -0.00093 31 3 C 1S -0.00954 -0.00200 0.00394 0.00219 -0.00124 32 2S -0.02294 -0.00131 -0.02535 0.04518 -0.07429 33 2PX 0.14532 -0.12974 0.05719 0.00428 -0.09984 34 2PY -0.11973 -0.05896 0.05649 0.00328 0.00968 35 2PZ -0.20419 -0.22846 -0.00222 -0.11768 -0.08063 36 3S 0.41431 -0.10612 0.17360 -0.17443 0.24335 37 3PX -0.47850 0.30525 -0.14632 0.08710 0.20218 38 3PY 0.17475 0.14267 -0.19312 -0.01155 0.00680 39 3PZ 0.55650 0.67852 0.02369 0.36435 0.30111 40 4XX 0.02135 0.02047 -0.00195 0.00946 -0.00192 41 4YY 0.01396 -0.01270 0.01181 0.00005 0.00363 42 4ZZ -0.04133 -0.01391 -0.00583 -0.00165 -0.01446 43 4XY -0.01537 0.01265 -0.01341 0.00653 -0.00766 44 4XZ 0.02804 0.05254 -0.00088 0.01920 0.02226 45 4YZ -0.00277 -0.00990 0.00024 -0.00227 -0.00501 46 4 H 1S -0.04837 0.03640 -0.01172 0.04442 -0.04666 47 2S 0.05325 -0.08272 0.10119 -0.02131 -0.05008 48 5 H 1S 0.08121 0.16792 0.04546 0.09043 0.06797 49 2S -0.08823 0.18282 -0.01328 0.14166 0.07021 50 6 H 1S -0.21082 -0.21725 0.00075 -0.05407 -0.11597 51 2S -0.28482 -0.11050 -0.04242 -0.07137 -0.07739 52 7 C 1S -0.01690 0.00346 -0.00527 0.01763 0.00535 53 2S 0.02415 -0.23765 0.12122 0.24696 -0.16248 54 2PX 0.22558 -0.17823 0.21034 0.19498 -0.12823 55 2PY 0.05308 -0.00559 -0.00602 0.09405 -0.15915 56 2PZ 0.19094 0.30503 0.28941 0.22650 0.27882 57 3S -1.24134 0.73022 -0.46707 -0.11828 0.22307 58 3PX -0.72608 0.96331 -0.67725 0.07249 -0.07221 59 3PY -0.45991 -0.10605 0.05024 -0.17984 0.29704 60 3PZ -0.06829 -0.16488 -0.44230 -0.22930 -0.25215 61 4XX -0.04857 0.00561 -0.01014 0.05661 0.00278 62 4YY -0.01398 -0.04403 0.02437 0.03885 -0.01581 63 4ZZ 0.02144 -0.00149 -0.00105 -0.02592 -0.00691 64 4XY 0.01669 -0.00875 0.01007 -0.00459 0.01731 65 4XZ 0.01962 0.00822 -0.00219 -0.01350 0.01415 66 4YZ -0.00924 -0.00992 0.00694 0.01083 -0.00327 67 8 C 1S 0.00277 -0.02654 0.00612 0.00838 -0.03028 68 2S -0.09426 0.25532 -0.11537 0.12860 0.06918 69 2PX 0.29082 0.21208 -0.05484 0.03941 -0.08623 70 2PY -0.09068 -0.15854 0.04377 -0.24926 -0.06357 71 2PZ 0.10988 0.34483 -0.12693 0.16084 0.14074 72 3S 0.81312 -1.07023 0.90140 -0.38006 -0.26282 73 3PX -0.81966 -0.21026 0.13670 -0.05744 -0.02370 74 3PY -0.25041 0.85118 -0.45653 0.55262 0.07442 75 3PZ 0.01292 -1.26278 0.71668 -0.20332 -0.38140 76 4XX 0.04385 -0.04267 0.03101 0.01324 -0.00501 77 4YY 0.00124 -0.00690 -0.00447 -0.01397 0.02090 78 4ZZ -0.03007 0.04014 -0.01549 0.01784 -0.04712 79 4XY -0.00125 0.01333 -0.00657 0.03333 -0.01608 80 4XZ 0.00836 0.01778 -0.00004 -0.03014 -0.03128 81 4YZ -0.02250 -0.03051 -0.00167 -0.00571 -0.00621 82 9 C 1S 0.00742 0.00675 0.02129 0.03108 0.01282 83 2S 0.02919 -0.25557 0.10440 -0.09775 -0.08422 84 2PX -0.18492 0.04865 -0.18751 -0.07455 0.25262 85 2PY 0.06611 -0.09219 0.08264 -0.15884 -0.04523 86 2PZ 0.08830 0.09908 -0.15364 -0.01021 0.32342 87 3S -0.67683 1.77093 -0.87320 0.66755 -0.20675 88 3PX 0.13017 -0.16664 0.41118 0.25336 -0.64575 89 3PY -0.38209 0.49244 -0.17442 0.36973 -0.01830 90 3PZ -0.15632 -0.47596 0.53201 -0.27958 -0.55826 91 4XX -0.05616 0.04408 -0.00098 0.03647 -0.02724 92 4YY 0.01495 -0.03796 -0.00294 0.01113 -0.00879 93 4ZZ 0.03764 0.00726 0.01663 -0.01965 0.02979 94 4XY 0.01102 -0.02745 0.01347 0.00491 -0.00570 95 4XZ 0.04161 0.05181 -0.03573 -0.01694 -0.00047 96 4YZ 0.00218 -0.02219 0.00628 -0.01967 0.03854 97 10 C 1S -0.00318 -0.01726 -0.02488 0.00561 0.00317 98 2S 0.01421 -0.03315 0.17772 0.05351 0.03816 99 2PX 0.13749 -0.07820 -0.02421 -0.41850 0.14559 100 2PY 0.01135 0.03859 -0.33205 -0.35916 0.22254 101 2PZ -0.06468 -0.09858 0.23263 0.19792 0.39203 102 3S -0.43298 0.18414 0.32970 0.45502 -0.25445 103 3PX -1.55143 1.48221 -0.06127 1.03581 -0.77907 104 3PY 0.58023 -0.50053 0.25281 0.75375 -0.43133 105 3PZ 0.44131 0.03117 -0.49130 -0.42232 -0.57567 106 4XX -0.02707 -0.02330 -0.00338 -0.00081 0.00956 107 4YY -0.01253 -0.00854 0.00803 0.05735 -0.00910 108 4ZZ 0.01156 0.01465 0.00920 -0.02655 0.00847 109 4XY -0.05461 0.03034 0.01441 -0.00984 -0.00838 110 4XZ -0.00832 0.01180 0.01574 0.00982 -0.01105 111 4YZ 0.00583 -0.01864 -0.00231 0.00750 0.01520 112 11 C 1S 0.00705 0.00386 -0.00396 -0.02967 0.01501 113 2S 0.02605 -0.00424 0.08701 0.03436 -0.03685 114 2PX -0.23871 0.30467 -0.07827 -0.14132 -0.02731 115 2PY 0.19620 -0.02616 -0.08666 -0.23739 0.13562 116 2PZ 0.11465 -0.10034 -0.04519 -0.10086 -0.08037 117 3S -0.30248 0.07747 -0.32386 -0.11525 0.14853 118 3PX 1.01479 -1.12500 0.17225 0.26507 0.23398 119 3PY -0.31517 0.06965 0.09651 0.87080 -0.45430 120 3PZ -0.36669 0.25301 0.20145 0.29480 0.22905 121 4XX -0.01325 0.03112 -0.01082 -0.00897 0.00060 122 4YY -0.00751 0.01330 -0.02571 -0.02829 0.01808 123 4ZZ 0.03049 -0.03287 0.03842 0.00320 -0.00409 124 4XY 0.03389 -0.01421 -0.01144 -0.00637 0.01529 125 4XZ -0.03298 0.02479 0.00350 0.01322 0.01093 126 4YZ 0.00077 -0.00232 0.00733 -0.00705 0.00354 127 12 H 1S -0.00032 0.10592 -0.04725 -0.20236 0.06638 128 2S -0.42383 0.48516 0.05083 -0.34855 -0.06958 129 13 H 1S -0.00248 -0.00763 0.05762 -0.06416 0.01741 130 2S 0.17971 -0.07482 0.05461 -0.08201 0.20345 131 14 H 1S 0.09260 -0.09524 0.06966 -0.14663 0.07357 132 2S 0.42428 -0.34563 -0.04928 -0.21642 0.15584 133 15 C 1S -0.01167 0.00498 0.01519 0.00774 -0.01264 134 2S -0.08706 -0.05479 0.26231 0.09588 -0.01525 135 2PX -0.24249 0.36221 0.14093 -0.10358 -0.21544 136 2PY 0.07691 -0.04955 -0.12524 0.01839 0.00909 137 2PZ 0.32104 0.24221 -0.06609 -0.02614 -0.59522 138 3S 1.67717 -1.27341 -0.57019 -0.59076 0.41181 139 3PX 0.28793 -0.47968 0.27773 0.06103 0.30091 140 3PY 0.54750 -0.61995 0.18688 -0.47745 0.33046 141 3PZ -0.51779 -0.40528 0.11481 0.12780 1.09147 142 4XX 0.01827 -0.02152 0.00446 0.01599 -0.00628 143 4YY -0.02306 -0.01017 0.07669 0.00051 -0.01286 144 4ZZ 0.00267 0.00936 -0.01121 -0.00514 0.01168 145 4XY -0.03453 0.01358 0.00578 0.01237 -0.00107 146 4XZ -0.00052 0.01769 -0.01927 -0.00402 -0.00176 147 4YZ 0.00465 0.01139 -0.00248 0.00355 -0.00473 148 16 C 1S -0.00653 -0.00296 -0.02524 0.02608 -0.00565 149 2S -0.14384 0.08278 0.51550 -0.31175 -0.03766 150 2PX -0.14841 0.18301 0.32995 -0.05734 -0.03765 151 2PY -0.03814 0.18611 0.55966 -0.46516 0.02489 152 2PZ -0.21491 -0.07728 -0.10225 0.05171 0.21136 153 3S -0.33224 0.52708 -0.59552 0.22408 -0.04844 154 3PX 0.62428 -0.47675 -0.27215 -0.21818 0.12256 155 3PY -0.20787 0.05591 -0.48936 0.69552 -0.20097 156 3PZ 0.34615 0.24031 0.05775 -0.05686 -0.58863 157 4XX -0.06210 0.04047 0.07253 -0.01581 -0.02046 158 4YY -0.00994 -0.01895 -0.05261 0.04328 -0.00607 159 4ZZ 0.01872 0.00315 0.02366 -0.03869 0.00856 160 4XY 0.03187 -0.01835 -0.08766 0.00190 0.01412 161 4XZ 0.01624 -0.01798 -0.00080 -0.00659 0.00691 162 4YZ -0.01396 0.00177 0.01646 -0.00316 0.00975 163 17 O 1S -0.00532 0.01425 0.02806 -0.01907 -0.00190 164 2S -0.04623 0.00491 -0.13985 0.08675 0.00499 165 2PX -0.03633 0.00743 0.18331 -0.00442 -0.02266 166 2PY -0.03808 0.07223 0.21840 -0.11959 0.01034 167 2PZ 0.00225 -0.06066 -0.04824 0.02624 0.07988 168 3S 0.15638 -0.16114 0.31726 -0.21653 0.04002 169 3PX -0.11027 0.13462 0.02261 -0.03206 -0.01662 170 3PY -0.00546 0.09697 0.13019 -0.18415 -0.00560 171 3PZ -0.04706 -0.01297 -0.00351 0.01280 0.04271 172 4XX -0.00517 -0.00169 -0.01975 0.02141 -0.00434 173 4YY -0.03443 0.04524 0.08368 -0.04804 -0.00447 174 4ZZ -0.01602 0.00268 -0.06680 0.03841 0.00984 175 4XY -0.00775 0.02222 0.07433 -0.04848 -0.00186 176 4XZ 0.01645 0.00160 -0.01443 0.00479 -0.01804 177 4YZ 0.01251 -0.00258 -0.02078 0.01250 -0.00455 178 18 H 1S -0.20351 0.07096 0.16762 0.11168 -0.08605 179 2S -0.13925 0.09689 -0.08194 0.19723 -0.09545 180 19 H 1S -0.14776 -0.02009 0.22258 0.11840 -0.08469 181 2S 0.22379 -0.26548 0.01105 -0.10992 0.15049 182 20 H 1S 0.01251 -0.04617 0.13011 0.14135 0.25886 183 2S 0.20461 -0.04220 -0.05719 0.13238 0.03911 184 21 H 1S 0.10535 -0.07421 0.07657 0.24231 -0.01505 185 2S -0.11391 0.13589 0.15148 0.18973 0.07461 186 22 H 1S -0.13655 -0.23613 0.03984 0.07830 -0.18303 187 2S 0.08831 -0.23664 0.09595 0.04656 -0.15214 188 23 H 1S 0.07429 -0.20806 0.08805 -0.06224 -0.02650 189 2S 0.12541 -0.44592 0.19669 -0.08936 -0.16152 190 24 H 1S -0.05729 -0.06089 0.02858 0.16694 -0.05353 191 2S -0.08080 -0.06255 0.01368 -0.08490 0.13330 192 25 H 1S -0.04203 0.03840 -0.04789 -0.01308 0.04387 193 2S 0.16916 -0.02063 0.01883 -0.00944 0.02824 194 26 H 1S -0.09623 -0.00446 -0.12638 -0.03690 -0.10798 195 2S -0.25226 -0.02363 -0.11551 -0.03333 -0.13394 196 27 H 1S 0.01097 0.02564 0.10106 0.10672 0.03906 197 2S -0.09635 0.16362 -0.02554 0.16812 0.00557 91 92 93 94 95 V V V V V Eigenvalues -- 0.72489 0.72804 0.74104 0.77358 0.78340 1 1 C 1S -0.01513 0.03807 -0.00426 -0.00677 0.01335 2 2S 0.02808 -0.05281 0.01721 0.04026 0.00510 3 2PX 0.15118 -0.19941 0.08565 0.19099 0.12092 4 2PY 0.06994 -0.31744 0.05514 -0.19048 -0.28103 5 2PZ 0.04520 0.10809 0.47655 -0.02441 0.01916 6 3S -0.09008 0.17836 -0.12394 -0.41221 -0.12312 7 3PX -0.43766 0.81222 -0.32892 -0.65046 -0.33104 8 3PY -0.13063 0.85023 -0.21871 0.55735 0.88307 9 3PZ -0.13896 -0.37974 -1.43276 0.07670 -0.11128 10 4XX -0.00321 0.02484 -0.01113 -0.00645 0.02685 11 4YY 0.00736 0.03305 -0.00877 0.01064 -0.00724 12 4ZZ -0.01540 -0.02401 0.01480 -0.01349 -0.00456 13 4XY -0.01452 0.02610 0.00705 -0.03760 -0.02045 14 4XZ 0.03803 -0.00265 -0.00967 -0.00498 -0.03516 15 4YZ -0.00278 -0.00098 0.04902 0.01002 0.01735 16 2 C 1S 0.01083 0.00106 -0.00522 0.00817 0.00366 17 2S -0.21369 0.08325 0.08135 -0.22849 0.03857 18 2PX -0.05048 -0.33459 0.00200 -0.00803 -0.23950 19 2PY 0.23585 -0.66873 0.04971 0.22349 0.13199 20 2PZ -0.36975 -0.09733 -0.73598 -0.00197 -0.02986 21 3S 0.26509 0.25652 -0.05025 0.32341 -0.79210 22 3PX 0.02534 0.73930 0.00724 -0.23458 0.25223 23 3PY -0.55057 1.46748 -0.09328 -0.95645 -0.71200 24 3PZ 0.94700 0.29245 1.67285 0.06335 -0.01349 25 4XX 0.00260 -0.02124 -0.00325 -0.02022 -0.01481 26 4YY -0.01344 0.04605 -0.00508 0.00277 0.02385 27 4ZZ -0.00504 -0.00824 0.01044 -0.00821 0.00414 28 4XY -0.00199 -0.05853 0.01558 -0.01699 -0.00445 29 4XZ -0.00806 -0.00139 -0.01948 0.00172 0.01144 30 4YZ -0.00382 0.01122 0.01214 0.00351 0.00698 31 3 C 1S 0.00343 -0.03487 0.00701 -0.00626 0.00126 32 2S -0.04290 0.07872 0.00335 -0.10058 -0.08915 33 2PX 0.06003 -0.15644 0.09829 -0.25454 -0.23546 34 2PY 0.05579 -0.30394 0.03417 -0.02593 -0.02442 35 2PZ 0.22036 0.15931 0.40974 0.06210 0.05238 36 3S 0.24408 -0.37569 -0.05380 0.68124 0.67724 37 3PX -0.16151 0.34414 -0.25599 0.65853 0.58423 38 3PY -0.20306 1.17301 -0.13494 -0.03170 -0.13527 39 3PZ -0.66104 -0.46722 -1.25396 -0.17108 -0.10165 40 4XX -0.01161 -0.02292 0.00100 -0.03237 -0.02775 41 4YY 0.01328 -0.04567 0.00422 0.02457 0.02270 42 4ZZ 0.00029 0.03294 0.00186 -0.00311 0.00593 43 4XY -0.00958 0.01501 -0.00054 0.00464 -0.01391 44 4XZ -0.02915 -0.00966 -0.02393 0.00314 0.02848 45 4YZ -0.01030 -0.00644 -0.02747 -0.00045 -0.00236 46 4 H 1S 0.00805 -0.27901 0.09009 -0.09039 -0.13431 47 2S 0.08307 -0.52373 0.02551 -0.34782 -0.25679 48 5 H 1S -0.03223 -0.15196 0.02537 -0.07422 0.07543 49 2S -0.18904 -0.20168 -0.46522 0.11496 0.02068 50 6 H 1S 0.02732 -0.06397 0.01303 -0.05505 -0.03496 51 2S 0.19813 0.02154 0.53679 0.14470 0.14869 52 7 C 1S -0.01577 0.01189 0.01109 -0.01137 -0.02369 53 2S -0.39086 0.12745 0.10064 -0.18494 0.12877 54 2PX -0.13604 -0.18247 0.08168 -0.17567 0.01505 55 2PY -0.04476 -0.06674 0.04093 -0.13432 -0.19066 56 2PZ 0.45538 0.08734 -0.09922 -0.00734 -0.14986 57 3S 0.78853 -0.30667 -0.05295 0.40975 -0.60195 58 3PX 0.18295 0.33358 -0.12947 0.45775 -0.39214 59 3PY 0.17233 -0.19598 -0.05369 0.41409 0.75792 60 3PZ -1.08284 -0.33962 -0.13850 -0.03818 0.44173 61 4XX -0.04112 0.02035 0.03426 -0.00600 -0.04005 62 4YY -0.06326 0.01343 0.01640 -0.04072 0.02404 63 4ZZ 0.01268 -0.01033 -0.01721 0.01292 0.01790 64 4XY 0.01419 0.00574 -0.01299 0.02750 0.02368 65 4XZ 0.02455 -0.00630 0.01246 0.00256 0.00084 66 4YZ 0.01102 0.00412 -0.00752 -0.01252 -0.02213 67 8 C 1S -0.01515 -0.00050 -0.00174 -0.01285 -0.00866 68 2S -0.05308 -0.17807 0.17911 -0.04605 -0.02870 69 2PX -0.15239 0.05159 0.10199 -0.25005 -0.01857 70 2PY 0.00669 -0.16940 -0.06774 -0.09446 0.51378 71 2PZ -0.35033 -0.15173 0.24516 -0.02071 0.25570 72 3S 0.33336 0.42698 -0.56407 -0.41743 0.65027 73 3PX 0.80104 0.07934 -0.40015 0.49149 0.13863 74 3PY -0.00622 0.32305 0.18640 0.33378 -1.35382 75 3PZ 0.92974 0.45873 -0.63167 -0.13713 -0.39676 76 4XX -0.02711 0.00020 0.01171 -0.02033 0.03587 77 4YY 0.00020 -0.02709 0.00053 0.01238 0.00243 78 4ZZ 0.02010 -0.00361 0.00438 -0.02896 -0.03136 79 4XY -0.01405 -0.03019 0.03179 0.00581 -0.04563 80 4XZ 0.02664 0.00345 -0.00797 0.00199 0.01805 81 4YZ 0.01376 0.01904 -0.00229 -0.00451 -0.02597 82 9 C 1S -0.01179 -0.00028 0.01425 -0.01125 0.00641 83 2S 0.07657 0.06920 -0.08790 -0.06169 -0.06321 84 2PX 0.13280 -0.02377 -0.02562 -0.04093 -0.22000 85 2PY 0.12718 0.05687 -0.08540 -0.01829 0.05856 86 2PZ -0.28327 -0.02689 0.16729 0.30008 -0.06744 87 3S -0.56519 -0.50016 0.46938 -0.25448 0.84681 88 3PX -0.12763 0.10730 -0.21183 -0.10740 1.04437 89 3PY -0.48702 -0.30346 0.35166 -0.33432 0.15392 90 3PZ 1.16753 0.30459 -0.62769 -0.68217 0.36156 91 4XX -0.01201 -0.01016 0.00438 -0.02991 0.00891 92 4YY 0.00335 0.01011 0.00720 0.01250 -0.04522 93 4ZZ -0.01466 -0.00063 0.00443 -0.01132 0.04630 94 4XY 0.01530 -0.00465 -0.02572 -0.00415 0.06401 95 4XZ -0.01924 -0.00313 0.01746 0.01153 0.00287 96 4YZ -0.02498 -0.00915 -0.00198 0.01778 0.00973 97 10 C 1S 0.01448 -0.00017 -0.01057 -0.00869 0.00079 98 2S -0.25367 -0.08687 0.11124 -0.56555 0.13414 99 2PX 0.01387 0.08628 -0.04894 0.16218 -0.28884 100 2PY 0.03892 -0.01541 -0.02356 -0.57811 -0.09642 101 2PZ 0.20897 0.16265 0.01751 -0.33628 0.14460 102 3S 0.80478 0.13636 -0.23384 1.14663 0.34338 103 3PX 0.03143 -0.42497 0.05188 -0.54536 1.73960 104 3PY -0.08542 0.12926 -0.09307 1.64626 0.21795 105 3PZ -0.59465 -0.32404 0.06950 0.93435 -0.65839 106 4XX 0.03577 -0.00567 -0.02079 -0.07915 0.03073 107 4YY -0.01667 -0.00819 0.01395 -0.03022 0.00420 108 4ZZ -0.02231 0.00072 0.01007 0.00230 -0.00601 109 4XY 0.01042 -0.00052 0.00071 0.02254 -0.04229 110 4XZ 0.01031 0.00547 -0.00117 0.02105 -0.01528 111 4YZ -0.01685 -0.00803 0.00540 -0.00324 0.00548 112 11 C 1S -0.00910 -0.00251 0.00091 -0.04025 0.01218 113 2S -0.06031 -0.01534 0.01381 -0.00518 0.01377 114 2PX 0.13763 -0.07033 -0.07106 -0.14670 0.34161 115 2PY -0.09060 -0.00804 0.01240 -0.19959 -0.07137 116 2PZ -0.18821 -0.07590 0.00681 0.16605 -0.10622 117 3S 0.13869 -0.01968 0.05987 -0.49693 -0.40711 118 3PX -0.39954 0.26480 0.19387 0.50547 -1.14301 119 3PY 0.24964 0.03666 -0.05531 1.07776 0.28495 120 3PZ 0.61159 0.25405 -0.07992 -0.71318 0.39540 121 4XX -0.00679 -0.01658 -0.00156 0.01842 0.06286 122 4YY -0.01041 -0.00712 0.00788 -0.07474 -0.02478 123 4ZZ -0.00816 0.01591 0.00125 -0.00208 -0.03622 124 4XY -0.01798 0.00324 0.00635 -0.00225 -0.01271 125 4XZ 0.03553 0.01204 -0.00982 -0.01671 0.01432 126 4YZ 0.00711 0.00599 -0.00142 -0.00004 0.00440 127 12 H 1S -0.02963 -0.04798 -0.01974 -0.12242 0.22107 128 2S 0.16049 -0.08474 -0.10820 -0.42557 0.36251 129 13 H 1S 0.03291 0.02865 -0.02955 -0.26497 0.02891 130 2S 0.02253 0.08802 0.03636 -0.38658 -0.00426 131 14 H 1S -0.09148 -0.00597 0.02772 -0.18483 0.02612 132 2S -0.36761 -0.03020 0.07687 0.13021 -0.43811 133 15 C 1S -0.00051 -0.00104 -0.00092 0.01621 0.01388 134 2S -0.10925 -0.03188 0.03660 -0.15793 0.19060 135 2PX -0.03392 0.01285 0.04224 0.10008 -0.15415 136 2PY 0.04484 0.00035 -0.04915 -0.14464 0.16803 137 2PZ 0.17448 0.01229 -0.12088 -0.07541 0.03379 138 3S -0.10198 0.30600 -0.13540 0.91066 -1.26571 139 3PX 0.01749 0.01698 -0.06259 -0.33976 0.47475 140 3PY -0.18683 0.15247 0.07647 0.35859 -1.13238 141 3PZ -0.11304 0.07472 0.17479 -0.10044 0.01621 142 4XX -0.01568 -0.00025 0.00655 0.01853 -0.00634 143 4YY -0.02051 -0.00261 -0.00188 0.01844 0.03438 144 4ZZ 0.00492 0.00225 0.00291 -0.02587 -0.00749 145 4XY 0.01688 -0.00086 -0.00723 -0.03667 0.02859 146 4XZ -0.00679 -0.00581 0.00477 -0.00607 -0.00409 147 4YZ 0.00256 0.00134 0.00233 0.01145 -0.01248 148 16 C 1S 0.01033 -0.00343 -0.00086 -0.00286 0.00809 149 2S -0.15972 0.03836 0.01773 0.01560 -0.08799 150 2PX -0.15335 -0.00849 0.06600 0.01786 0.04740 151 2PY -0.26999 0.06084 0.06107 0.00279 -0.23844 152 2PZ -0.01153 -0.02259 0.02314 0.00372 0.02080 153 3S 0.13665 -0.09958 0.05871 -0.13451 0.09133 154 3PX 0.05341 0.10629 -0.08900 0.03867 -0.36416 155 3PY 0.36483 -0.13352 -0.07808 -0.05350 0.76587 156 3PZ 0.07540 0.00019 -0.07877 0.03871 -0.02851 157 4XX -0.02516 0.00080 0.01162 0.00528 -0.01144 158 4YY 0.02972 -0.00924 -0.00911 -0.01359 0.03011 159 4ZZ -0.01265 0.00535 0.00040 -0.00311 -0.01097 160 4XY 0.00965 -0.00720 0.00079 -0.01929 -0.01517 161 4XZ 0.00054 0.00200 -0.00375 0.00822 -0.00409 162 4YZ -0.01456 -0.00220 0.00547 0.01595 -0.00422 163 17 O 1S -0.01110 0.00164 0.00302 -0.00153 -0.00346 164 2S 0.10326 0.00000 -0.02700 0.02671 0.03898 165 2PX -0.08007 -0.00249 0.02498 0.06223 -0.00994 166 2PY -0.06271 0.03652 0.01597 0.07799 -0.06056 167 2PZ -0.02607 -0.00482 0.01971 0.03803 -0.03125 168 3S -0.23250 0.03795 0.04743 0.03107 -0.28912 169 3PX 0.02700 -0.01477 -0.00102 -0.09110 0.09250 170 3PY -0.10959 -0.00479 0.03099 -0.09339 -0.04473 171 3PZ 0.02509 0.00696 -0.00651 -0.04390 0.03327 172 4XX 0.02457 0.00442 -0.00718 0.02153 -0.00357 173 4YY -0.01892 0.01151 0.00435 0.01699 -0.01890 174 4ZZ 0.04289 -0.00269 -0.00957 0.00304 0.02753 175 4XY -0.02232 0.00871 0.00267 0.00971 -0.01541 176 4XZ 0.00807 -0.00110 -0.00436 -0.00023 0.00354 177 4YZ 0.01289 -0.00053 -0.00321 -0.01054 0.00911 178 18 H 1S 0.02665 -0.01289 -0.00445 0.04546 0.08378 179 2S 0.07038 -0.06777 0.00109 -0.01391 0.32856 180 19 H 1S 0.02668 -0.01232 -0.04071 0.10610 0.23072 181 2S -0.04405 0.05166 0.07613 0.04156 -0.55760 182 20 H 1S -0.17982 -0.06675 0.10433 -0.10901 0.10325 183 2S -0.28824 0.02658 0.12053 0.33764 -0.12063 184 21 H 1S -0.08650 0.02268 0.13742 0.04691 -0.16486 185 2S -0.30568 -0.14671 0.15035 -0.13010 0.16495 186 22 H 1S -0.05188 0.02495 -0.06454 -0.15428 -0.04840 187 2S 0.11855 0.06905 -0.06957 0.01668 -0.46149 188 23 H 1S 0.00239 -0.06195 -0.05895 -0.03080 -0.01690 189 2S -0.01709 -0.10447 -0.00700 -0.19039 0.52799 190 24 H 1S -0.20212 0.14506 0.06029 -0.18774 -0.08288 191 2S 0.05160 -0.00704 -0.03431 0.28013 0.42967 192 25 H 1S -0.03562 0.32605 -0.05593 0.05896 0.06217 193 2S -0.08235 0.37370 -0.08129 0.33453 0.52133 194 26 H 1S -0.21624 0.09642 0.06815 -0.00717 0.17707 195 2S 0.09443 0.32839 0.50030 -0.19891 -0.21849 196 27 H 1S 0.08802 0.14792 -0.07951 -0.03498 -0.00691 197 2S -0.27171 0.11582 -0.50109 -0.21690 -0.17364 96 97 98 99 100 V V V V V Eigenvalues -- 0.79960 0.80888 0.82552 0.82807 0.83876 1 1 C 1S 0.00345 0.00610 -0.02676 -0.03172 -0.00312 2 2S 0.12680 0.03569 -0.02358 -0.03749 0.04093 3 2PX 0.28493 -0.01382 -0.00274 0.00959 0.00837 4 2PY -0.48267 -0.02348 0.03441 0.11064 0.00839 5 2PZ -0.03482 -0.05402 -0.24307 0.11012 0.11542 6 3S -1.27527 -0.19632 -0.17093 -0.03609 -0.25956 7 3PX -1.16257 0.02007 -0.44181 -0.32229 -0.06769 8 3PY 1.01771 0.03944 -0.29380 -0.60846 -0.16875 9 3PZ 0.23769 0.04659 0.32912 -0.06357 -0.10539 10 4XX 0.01981 -0.00614 -0.05532 -0.02177 0.00170 11 4YY -0.01489 -0.00130 0.01217 0.02368 0.00687 12 4ZZ -0.00721 0.01864 0.00335 -0.04086 -0.00588 13 4XY -0.08553 0.00030 -0.02643 -0.01837 -0.00397 14 4XZ 0.01343 -0.02084 -0.06912 0.02826 0.03298 15 4YZ 0.01038 0.00593 0.02412 -0.00343 -0.00883 16 2 C 1S -0.00412 0.00150 -0.00381 -0.01709 -0.00411 17 2S 0.10279 0.13158 -0.60635 -0.77823 -0.07854 18 2PX 0.34537 -0.02781 0.28407 0.37288 0.09952 19 2PY 0.24667 0.08123 -0.10529 -0.40916 -0.06340 20 2PZ -0.04863 -0.01075 -0.11082 -0.05271 0.01884 21 3S -0.23537 -0.44651 1.44643 1.00766 -0.15970 22 3PX -1.52188 -0.15732 -0.79668 -1.25814 -0.57398 23 3PY -1.25758 -0.27002 0.47168 1.33811 0.12523 24 3PZ 0.30548 -0.01761 0.14478 0.24041 0.05432 25 4XX -0.03453 0.00688 -0.01808 -0.11062 -0.04009 26 4YY 0.02282 0.01594 -0.04670 -0.05571 0.00201 27 4ZZ 0.01026 -0.00060 -0.02540 0.01509 0.01489 28 4XY 0.00080 -0.00775 -0.00269 0.05369 0.01449 29 4XZ 0.00092 0.01491 0.05357 0.00530 -0.01060 30 4YZ 0.00051 -0.00405 -0.02453 0.00336 0.00932 31 3 C 1S -0.00366 0.00839 -0.02864 -0.04372 -0.00488 32 2S 0.02801 0.01295 0.02247 -0.00699 0.01523 33 2PX -0.50931 0.00296 -0.14799 0.08120 0.08920 34 2PY -0.05374 0.02652 -0.04381 -0.08625 -0.00602 35 2PZ 0.11306 -0.07229 -0.20139 0.10022 0.08754 36 3S 0.60116 0.11452 -0.30656 -0.52423 -0.04293 37 3PX 1.72744 0.08334 0.33968 -0.18218 -0.07569 38 3PY -0.03532 -0.14632 0.56447 0.93539 0.13313 39 3PZ -0.34949 0.10752 0.17502 -0.08584 -0.06846 40 4XX -0.06190 -0.00623 -0.01431 0.02003 0.00776 41 4YY 0.06421 0.01519 -0.02624 -0.07577 -0.00909 42 4ZZ 0.02187 0.00619 0.00878 -0.00246 -0.00028 43 4XY 0.04090 -0.00733 0.04166 -0.00950 -0.02013 44 4XZ 0.01494 -0.00136 -0.04921 0.02619 0.03001 45 4YZ -0.01139 0.01175 0.03752 -0.02103 -0.01710 46 4 H 1S -0.06172 -0.00426 -0.03650 -0.19398 -0.07937 47 2S -0.90041 -0.01215 -0.35328 -0.06894 0.03755 48 5 H 1S -0.06551 0.01410 -0.45985 -0.11185 0.11765 49 2S 0.48444 0.10866 0.43547 -0.37853 -0.24302 50 6 H 1S -0.07821 0.08849 0.03579 -0.37152 -0.13969 51 2S 0.51320 -0.06349 -0.26383 -0.00266 0.10125 52 7 C 1S -0.00403 -0.01053 -0.00150 0.01274 -0.00384 53 2S 0.21097 0.15554 -0.17678 -0.22833 0.03277 54 2PX 0.27652 -0.04588 0.05305 0.31358 0.05188 55 2PY 0.06654 -0.16771 0.12646 -0.17827 -0.23649 56 2PZ 0.03337 -0.06267 -0.21027 -0.00322 0.03869 57 3S 0.32743 -0.40541 -0.00271 1.12938 0.35442 58 3PX -0.37278 -0.10175 -0.45847 -1.09509 -0.21018 59 3PY 0.33216 0.51610 -0.57660 0.72163 0.87971 60 3PZ -0.11442 0.20764 0.42300 0.12552 -0.00502 61 4XX 0.05477 -0.00774 -0.04028 0.03575 0.02918 62 4YY -0.02083 -0.01068 -0.03740 0.01264 -0.01034 63 4ZZ 0.01148 0.03140 0.02796 -0.03324 0.00395 64 4XY -0.04530 -0.00734 -0.04027 -0.01909 -0.00668 65 4XZ 0.00553 -0.01924 -0.05719 0.01652 0.01965 66 4YZ 0.01965 -0.00244 0.00688 0.00269 0.00097 67 8 C 1S 0.02354 -0.00136 -0.00600 0.00859 0.00780 68 2S 0.02140 0.06039 0.00469 -0.08687 -0.04148 69 2PX 0.03581 0.09738 0.24506 -0.17210 -0.10129 70 2PY -0.22928 0.16215 -0.13676 0.12555 0.14161 71 2PZ -0.04962 -0.00157 -0.14911 0.14400 0.06398 72 3S -0.26264 -0.07447 0.58962 0.37016 -0.17732 73 3PX 0.01307 -0.17320 -0.88843 0.42831 0.41810 74 3PY 0.40150 -0.77924 -0.10152 -0.51013 -0.52632 75 3PZ 0.08413 -0.15978 0.40833 -0.16532 -0.23992 76 4XX -0.01369 0.01542 0.00563 0.00260 -0.01003 77 4YY 0.02494 -0.00358 0.04652 -0.00420 -0.02197 78 4ZZ 0.01204 0.00769 -0.03299 -0.00596 0.02598 79 4XY 0.05918 -0.00546 0.01935 -0.02266 -0.00878 80 4XZ -0.01822 0.02879 0.06701 -0.03388 -0.02483 81 4YZ -0.00976 0.00234 -0.00558 -0.00628 0.00720 82 9 C 1S 0.00256 -0.00835 0.00135 0.00039 -0.00659 83 2S 0.08965 0.15714 -0.01956 0.07658 0.03255 84 2PX 0.10026 0.05728 -0.20984 -0.00333 0.06969 85 2PY -0.10739 -0.56623 -0.14382 0.07185 -0.28880 86 2PZ -0.16210 -0.25141 -0.06749 0.00076 -0.13786 87 3S -0.25743 -0.67739 0.60516 -0.46486 -0.50297 88 3PX -0.57675 -0.23040 1.05856 -0.19126 -0.53422 89 3PY 0.33352 1.50263 0.51420 -0.12390 0.69377 90 3PZ 0.12519 0.68847 0.27065 -0.01464 0.41830 91 4XX 0.01238 0.00435 0.01625 -0.01083 -0.00832 92 4YY 0.01080 -0.03726 0.00758 -0.01361 -0.02916 93 4ZZ -0.01021 0.05001 -0.00373 0.02390 0.01510 94 4XY -0.01978 -0.02815 0.00283 0.02021 -0.03164 95 4XZ -0.02582 0.00979 0.03436 -0.02461 -0.01773 96 4YZ -0.00582 0.02136 -0.00284 0.01573 0.02300 97 10 C 1S 0.00518 -0.00529 -0.00355 0.00090 0.00509 98 2S 0.24720 -0.12162 0.14159 -0.00745 0.02894 99 2PX -0.06816 0.06006 0.02440 -0.13191 0.14186 100 2PY 0.29632 0.10711 -0.12857 0.05848 0.10830 101 2PZ -0.11565 0.12015 0.33746 -0.16211 -0.08317 102 3S -0.46278 -0.34399 -0.60578 0.24601 0.39877 103 3PX -0.14945 -0.59323 0.54923 0.05667 -0.46358 104 3PY -1.08229 -1.36178 0.64716 -0.58181 -0.59922 105 3PZ 0.31091 -0.33491 -1.05531 0.46359 0.14907 106 4XX 0.03648 -0.07739 -0.02227 0.00968 0.01566 107 4YY 0.02612 0.02494 0.00456 0.00724 0.01410 108 4ZZ -0.01040 0.01795 0.01639 -0.00724 -0.01491 109 4XY 0.01357 0.01758 -0.01888 -0.00311 -0.00335 110 4XZ 0.00785 0.00993 -0.03035 0.01749 0.00310 111 4YZ 0.00593 -0.02116 0.00121 -0.00210 -0.00401 112 11 C 1S 0.01312 -0.00071 0.00056 0.00506 -0.00313 113 2S -0.02844 -0.15272 -0.01117 -0.03544 -0.04468 114 2PX 0.02864 -0.25982 -0.07029 0.11149 -0.27106 115 2PY 0.04298 -0.04839 0.02508 -0.06750 0.04360 116 2PZ 0.04400 -0.17434 -0.09691 -0.01575 -0.06840 117 3S 0.58278 1.09090 -0.29938 0.31453 0.47902 118 3PX 0.01092 0.40700 0.16242 -0.38313 0.68316 119 3PY -0.52540 -0.25368 0.15625 -0.06760 -0.16823 120 3PZ -0.13894 0.48677 0.58326 -0.17166 0.08270 121 4XX -0.04199 0.02063 0.00530 0.00901 0.02642 122 4YY 0.04753 0.01508 -0.01612 0.00532 0.01316 123 4ZZ 0.01485 -0.04297 0.00436 -0.01442 -0.03699 124 4XY -0.00716 0.02092 0.02340 -0.02219 0.04024 125 4XZ -0.00994 -0.00410 0.01900 -0.01927 -0.00503 126 4YZ -0.01165 0.01873 0.00187 0.00917 -0.00305 127 12 H 1S -0.08747 0.10222 0.03764 0.03358 0.12117 128 2S 0.15347 -0.40805 -0.18652 0.19967 -0.66478 129 13 H 1S 0.14225 -0.17638 0.02925 -0.03454 -0.13301 130 2S -0.05643 0.40047 0.29926 -0.11415 0.27700 131 14 H 1S 0.11773 -0.07626 -0.08981 0.13325 -0.12546 132 2S 0.09765 -0.17291 -0.13227 -0.16122 0.24663 133 15 C 1S -0.01331 -0.02690 0.01434 -0.01289 0.01307 134 2S 0.08251 -0.10438 0.02837 0.05800 0.30435 135 2PX 0.00796 -0.19601 0.08869 -0.18708 0.12760 136 2PY -0.02532 -0.54662 0.15329 -0.20333 0.05659 137 2PZ 0.07279 0.11291 -0.06960 0.07444 0.04137 138 3S -0.35653 0.51989 -0.22222 -0.04583 -1.09808 139 3PX 0.02801 1.38188 -0.44184 0.88717 -0.39589 140 3PY 0.22074 1.92602 -0.76681 0.73901 -0.56743 141 3PZ -0.20838 -0.28153 0.46817 -0.38671 -0.05699 142 4XX -0.00394 0.00846 0.00510 0.00263 0.02067 143 4YY -0.02171 -0.03836 0.02359 -0.01201 0.02775 144 4ZZ 0.01870 0.02893 -0.01741 0.01518 0.00312 145 4XY 0.00931 0.00515 -0.01563 0.01918 -0.02222 146 4XZ 0.00499 -0.00487 -0.00100 -0.00290 -0.00951 147 4YZ 0.00555 -0.00877 -0.02216 0.00998 0.00455 148 16 C 1S 0.00409 -0.00560 -0.00936 0.00901 -0.03243 149 2S 0.04514 -0.14050 0.02772 -0.09426 0.51655 150 2PX -0.00624 -0.27379 0.13118 -0.15387 0.43961 151 2PY 0.05838 0.17976 -0.09772 0.09680 -0.49466 152 2PZ -0.01044 -0.00071 -0.02783 0.03087 -0.07767 153 3S 0.02802 -1.12527 0.31963 -0.49441 -0.72336 154 3PX 0.03858 1.36570 -0.53657 0.70275 -1.32582 155 3PY -0.13879 -1.13989 0.40609 -0.45646 1.35665 156 3PZ 0.05923 -0.12369 -0.00587 -0.06495 0.25269 157 4XX 0.00981 -0.04177 0.01076 -0.02305 0.05881 158 4YY 0.01440 -0.05412 -0.02529 0.01565 -0.07499 159 4ZZ -0.00386 0.00748 0.01719 -0.01712 0.07468 160 4XY 0.02250 -0.07772 0.00789 -0.03363 0.06502 161 4XZ -0.00285 0.01745 -0.00692 0.00658 0.01008 162 4YZ -0.00428 0.00958 -0.00928 0.00896 -0.00252 163 17 O 1S 0.00242 -0.01257 0.00363 -0.00605 0.00792 164 2S -0.05981 0.10989 0.02725 -0.00449 0.05896 165 2PX -0.02700 0.11381 0.00096 0.03103 0.04713 166 2PY -0.07335 0.21936 0.06240 -0.01622 0.16808 167 2PZ -0.01884 -0.03828 0.02671 -0.04251 0.00430 168 3S 0.10157 0.36649 -0.18015 0.19017 -0.29274 169 3PX 0.04712 -0.43708 0.07241 -0.14632 0.11905 170 3PY 0.12046 -0.36926 -0.04657 -0.04802 -0.20270 171 3PZ -0.00239 0.10102 -0.01552 0.05506 -0.04757 172 4XX -0.02140 0.09100 -0.00488 0.02057 -0.02424 173 4YY -0.02008 0.04275 0.02672 -0.02008 0.08612 174 4ZZ -0.02205 0.01400 0.01813 -0.01023 0.03158 175 4XY -0.00665 0.04307 -0.00415 0.01167 -0.02623 176 4XZ 0.00156 -0.01531 0.00332 -0.00761 0.02002 177 4YZ 0.00082 -0.00807 0.00522 -0.00308 -0.00425 178 18 H 1S -0.00806 0.16401 -0.14951 0.19788 -0.57742 179 2S -0.06222 -1.03511 0.47849 -0.61664 1.91911 180 19 H 1S -0.14565 -0.19808 0.10249 -0.05792 0.01456 181 2S 0.27276 1.30249 -0.58152 0.60854 -0.22846 182 20 H 1S 0.07793 0.14425 -0.06827 0.10513 0.11022 183 2S -0.24595 -0.79357 -0.04753 -0.02414 -0.57787 184 21 H 1S 0.03852 -0.21916 0.03134 -0.04182 -0.16950 185 2S 0.17456 1.10981 0.20985 0.09708 0.54998 186 22 H 1S 0.10237 -0.04133 -0.25885 0.17637 0.17037 187 2S 0.20926 -0.09578 0.58043 -0.40447 -0.42815 188 23 H 1S 0.19153 -0.06728 0.16305 0.04943 -0.07398 189 2S -0.22477 0.42688 -0.13687 0.24359 0.38992 190 24 H 1S -0.15659 -0.13191 -0.07493 0.13095 -0.07578 191 2S 0.34660 0.40631 -0.22744 0.22798 0.53554 192 25 H 1S 0.04585 0.00764 -0.02107 0.01053 0.00714 193 2S 0.79513 0.04461 -0.21408 -0.45098 -0.08649 194 26 H 1S -0.00098 0.13963 0.07075 -0.40399 -0.15190 195 2S -0.35305 -0.10388 -0.44981 0.23018 0.22517 196 27 H 1S 0.13203 -0.03517 -0.49296 -0.17670 0.09051 197 2S -0.47302 0.11753 0.34151 -0.10624 -0.13353 101 102 103 104 105 V V V V V Eigenvalues -- 0.85862 0.87028 0.87621 0.88314 0.88967 1 1 C 1S -0.00498 -0.00482 -0.00819 -0.01813 -0.00455 2 2S 0.10203 0.04518 0.13601 0.20412 -0.11380 3 2PX -0.07185 0.03214 -0.00829 0.00263 0.05093 4 2PY 0.05518 -0.04274 -0.10094 -0.14859 0.06851 5 2PZ -0.04340 0.18080 -0.05538 0.01503 0.16305 6 3S -0.37672 -0.29036 -0.55251 -0.47458 0.77632 7 3PX 0.09295 -0.16318 -0.05380 0.12704 0.20584 8 3PY -0.31374 -0.05011 -0.07078 -0.16497 -0.00316 9 3PZ 0.01091 -0.11700 0.04528 -0.09079 -0.16224 10 4XX -0.02482 0.00886 -0.00914 0.00344 0.01947 11 4YY 0.01698 -0.00580 -0.04010 -0.09424 -0.02520 12 4ZZ 0.02019 -0.00456 0.05859 0.10529 -0.00884 13 4XY 0.01601 -0.01178 0.01816 0.05660 0.01765 14 4XZ -0.01036 0.03938 0.00593 0.02938 0.03038 15 4YZ 0.00628 -0.02121 0.00423 -0.01025 -0.03303 16 2 C 1S 0.00211 -0.00044 -0.00022 0.00441 0.00402 17 2S -0.08602 -0.03998 -0.06292 -0.02629 -0.03653 18 2PX -0.00795 0.13572 0.05445 0.01275 -0.12318 19 2PY 0.00141 0.00483 0.00874 -0.04233 -0.04655 20 2PZ -0.06301 0.12062 -0.06412 -0.03667 0.19078 21 3S -0.12638 0.08884 0.17193 0.08536 0.17038 22 3PX -0.38796 -0.52642 -0.44280 -0.25730 0.83393 23 3PY -0.15570 -0.01703 -0.30572 -0.15697 0.33633 24 3PZ 0.18715 -0.25051 0.21285 0.14961 -0.55524 25 4XX -0.02266 -0.01672 -0.02122 -0.01678 0.02443 26 4YY 0.00679 0.00246 0.01140 0.01585 -0.01713 27 4ZZ -0.00124 0.00846 -0.00137 -0.00730 -0.00307 28 4XY -0.00143 0.00390 -0.00858 -0.00714 -0.00154 29 4XZ 0.01758 -0.02064 0.00989 0.00316 -0.01989 30 4YZ -0.00507 0.02235 -0.00834 -0.00831 0.01981 31 3 C 1S -0.00149 -0.00459 0.00165 0.00434 0.00566 32 2S -0.02278 0.07621 0.01086 -0.03354 -0.19386 33 2PX 0.15711 0.04447 -0.03881 -0.05901 -0.08966 34 2PY 0.02455 0.01395 -0.01334 -0.01140 -0.05417 35 2PZ -0.08846 0.27483 -0.14638 -0.06126 0.33078 36 3S 0.13078 -0.13230 0.10246 0.07018 0.15909 37 3PX -0.31886 0.10033 0.04136 -0.20409 -0.20790 38 3PY -0.01211 0.06851 0.04930 0.03168 0.04875 39 3PZ 0.10929 -0.28880 0.18637 0.10155 -0.34554 40 4XX -0.00395 0.02120 0.02136 0.07865 0.07009 41 4YY -0.00736 0.01033 0.00576 0.00178 -0.02489 42 4ZZ 0.00814 -0.02175 -0.02098 -0.08310 -0.07977 43 4XY -0.03161 -0.00072 0.01451 0.03970 0.02906 44 4XZ -0.01198 0.07529 -0.04720 -0.06048 0.04815 45 4YZ 0.01332 -0.03681 0.01448 0.00487 -0.03432 46 4 H 1S -0.11254 -0.02984 0.13072 0.36664 0.30523 47 2S 0.25823 -0.10093 -0.23729 -0.33102 -0.22132 48 5 H 1S -0.03255 0.24717 -0.21166 -0.27098 0.20370 49 2S -0.08308 -0.39301 0.31556 0.26157 -0.50303 50 6 H 1S 0.07438 -0.33903 0.05319 -0.09609 -0.31609 51 2S -0.25754 0.55493 -0.18743 -0.01842 0.51608 52 7 C 1S -0.01516 -0.00583 -0.00941 -0.00904 0.00894 53 2S 0.15479 0.09558 0.13211 0.32242 -0.06914 54 2PX -0.09772 0.03131 -0.08656 -0.12836 -0.10116 55 2PY -0.44230 -0.04954 -0.35039 -0.54823 0.08652 56 2PZ 0.03552 -0.10319 0.06107 0.04782 -0.18928 57 3S 0.05466 -0.20733 -0.00192 -0.30542 -0.64519 58 3PX 0.24122 -0.17567 0.46768 0.69830 0.06436 59 3PY 1.38174 0.16461 1.13413 1.52597 -0.77459 60 3PZ -0.07326 0.37262 -0.23497 -0.23254 0.42363 61 4XX 0.03342 0.00596 0.02459 0.04512 -0.03071 62 4YY -0.03713 -0.01342 -0.01716 0.00195 0.02299 63 4ZZ 0.03515 0.01429 0.02158 0.01809 -0.00958 64 4XY 0.00693 -0.02953 -0.00357 -0.01312 -0.00323 65 4XZ -0.01410 0.00999 0.00701 -0.00498 -0.01260 66 4YZ 0.00019 -0.01401 0.01856 0.00692 -0.02508 67 8 C 1S -0.00026 0.00913 0.00163 0.00904 -0.01478 68 2S -0.02062 -0.06282 0.01619 -0.10453 -0.03124 69 2PX -0.09498 0.10929 -0.01525 0.02922 0.14333 70 2PY 0.01255 0.05566 0.06183 -0.26173 -0.31895 71 2PZ 0.03702 -0.00029 0.00255 -0.03075 -0.27393 72 3S -0.31518 0.11231 -0.72539 -0.43487 0.47265 73 3PX 0.64259 -0.39872 0.37037 0.49138 -0.64323 74 3PY -0.37213 -0.34512 -0.14303 0.49015 0.50688 75 3PZ -0.21519 -0.09379 -0.08348 0.10630 0.58268 76 4XX -0.00738 -0.01771 -0.03675 -0.03863 0.01238 77 4YY -0.00594 -0.00163 -0.02060 0.02884 0.08528 78 4ZZ 0.00270 0.01941 0.03870 -0.01559 -0.10669 79 4XY -0.00573 0.00752 0.00630 -0.02149 -0.02821 80 4XZ 0.01279 0.00064 -0.02255 0.01186 0.03338 81 4YZ -0.00498 0.00923 0.03584 -0.02337 -0.04434 82 9 C 1S -0.00183 -0.00870 0.00932 -0.00109 0.00543 83 2S 0.16177 -0.13919 -0.18277 0.11611 -0.23813 84 2PX -0.02921 -0.01289 0.04704 -0.07393 0.00074 85 2PY -0.40598 -0.12829 0.00327 0.15173 -0.31983 86 2PZ -0.06610 -0.12409 -0.07000 0.08986 -0.19453 87 3S -0.70294 0.80257 0.47873 -0.24131 0.57695 88 3PX -0.19697 0.29224 -0.06753 0.17190 0.44955 89 3PY 0.92137 0.57905 0.17141 -0.45762 0.39216 90 3PZ 0.44130 0.27754 -0.07815 -0.14425 0.25244 91 4XX -0.00275 0.02414 -0.00320 0.01158 -0.04079 92 4YY -0.02209 -0.01987 0.01978 -0.01162 -0.03846 93 4ZZ 0.04013 -0.02235 -0.03920 0.01769 0.05325 94 4XY -0.01008 -0.03862 -0.03166 0.02314 0.03743 95 4XZ -0.00442 0.00179 -0.01943 -0.00187 -0.00191 96 4YZ 0.01054 0.01303 0.00777 -0.00903 0.06368 97 10 C 1S 0.00582 -0.00927 0.00190 0.00179 -0.00234 98 2S -0.14051 0.07097 0.04554 0.06590 -0.10385 99 2PX 0.00383 0.13567 -0.06686 -0.07668 -0.00223 100 2PY 0.04322 -0.10101 0.00173 0.05255 -0.14881 101 2PZ -0.00024 0.16293 -0.11983 -0.03515 -0.02660 102 3S 0.95291 -0.34035 0.02399 -0.00016 -0.15566 103 3PX 0.03318 0.35561 0.36267 0.20920 0.07524 104 3PY -0.49615 0.49391 0.23866 -0.21288 0.83058 105 3PZ -0.06615 -0.54895 0.23748 0.15716 -0.08051 106 4XX -0.00592 -0.00411 0.02295 0.02102 -0.02683 107 4YY 0.02092 -0.01151 -0.00328 -0.00393 -0.01994 108 4ZZ -0.01708 0.01643 -0.00358 -0.00205 0.00519 109 4XY -0.01764 0.00071 -0.02446 -0.00015 -0.01467 110 4XZ 0.00481 -0.01704 0.00670 0.00812 0.00212 111 4YZ 0.02924 0.02132 -0.06099 0.02846 -0.01458 112 11 C 1S -0.02224 -0.00108 -0.00177 0.01686 0.00406 113 2S 0.26769 0.05449 0.14317 -0.24542 -0.19164 114 2PX 0.03862 -0.29499 -0.15740 0.09451 0.25229 115 2PY 0.10592 0.06984 0.04398 -0.12564 -0.04560 116 2PZ 0.16525 0.22283 -0.50711 0.29211 -0.22253 117 3S -0.21064 -0.39137 -0.44886 0.52593 -0.10354 118 3PX 0.35308 0.53928 0.43678 -0.38809 -0.22306 119 3PY -0.09845 -0.06500 -0.08023 0.08049 0.36369 120 3PZ -0.24090 -0.17123 0.59756 -0.51240 0.37615 121 4XX -0.05757 0.03456 0.01852 -0.01072 -0.01961 122 4YY 0.03093 -0.02300 0.00770 -0.02348 -0.03974 123 4ZZ 0.06088 -0.00699 -0.00522 0.00413 0.02324 124 4XY 0.02526 0.05753 0.02586 -0.02353 -0.00496 125 4XZ 0.02588 0.05406 -0.11118 0.04912 -0.05311 126 4YZ -0.04555 -0.04391 0.10615 -0.05001 0.03784 127 12 H 1S -0.37291 0.21219 0.01640 0.10332 -0.12845 128 2S 0.03260 -0.41253 -0.21319 0.15187 0.10793 129 13 H 1S 0.11064 0.14048 -0.55227 0.41054 -0.09591 130 2S -0.22243 -0.08551 1.12612 -0.84202 0.23380 131 14 H 1S -0.26691 -0.35536 0.48692 -0.04513 0.29859 132 2S 0.52485 0.70759 -0.59748 0.16539 -0.68714 133 15 C 1S -0.00009 0.02105 0.00797 -0.00127 -0.00073 134 2S 0.30126 -0.46410 -0.17939 0.02110 0.11306 135 2PX -0.05030 0.27320 0.12872 -0.09801 -0.08391 136 2PY 0.12999 0.44303 0.42312 -0.06368 0.01351 137 2PZ 0.03508 -0.06305 -0.00409 0.01097 0.01256 138 3S -1.15368 0.66028 0.26709 0.03816 0.13624 139 3PX 0.15363 -0.90618 -0.61744 0.51665 -0.18892 140 3PY -0.66173 -1.31516 -1.09737 0.22247 -0.04085 141 3PZ -0.05465 0.34170 -0.05183 -0.12697 0.04475 142 4XX -0.00894 -0.07776 -0.04128 0.00849 0.01707 143 4YY 0.00789 0.05227 0.01642 0.00876 0.00807 144 4ZZ 0.01809 -0.04791 -0.01935 -0.00440 0.00087 145 4XY -0.00211 0.00589 0.02558 0.01665 -0.02005 146 4XZ 0.00490 0.00924 -0.01183 -0.00030 -0.01062 147 4YZ -0.00986 -0.02844 0.02802 -0.00620 0.00470 148 16 C 1S 0.03585 -0.00356 0.00116 -0.01193 0.00610 149 2S 0.09649 -0.58008 -0.15624 0.02395 0.09789 150 2PX 0.07420 -0.12868 -0.07289 -0.03682 0.04653 151 2PY 0.10541 0.22872 0.12948 -0.07348 -0.01877 152 2PZ -0.04401 -0.02555 0.02121 0.01588 0.00202 153 3S 0.52399 1.79356 0.94348 -0.64932 0.02420 154 3PX -0.36390 -0.07928 -0.10026 0.29334 -0.19133 155 3PY 0.46966 -0.23171 0.01760 -0.11899 0.13807 156 3PZ 0.10701 0.07132 0.02689 -0.04595 -0.00172 157 4XX 0.02173 -0.02654 -0.00096 -0.00313 -0.00492 158 4YY 0.15704 -0.02489 0.00869 -0.05648 0.04039 159 4ZZ -0.06086 -0.03003 -0.01890 0.02333 -0.00337 160 4XY 0.05120 -0.04331 -0.00526 -0.03000 0.02465 161 4XZ -0.01400 0.00490 -0.00112 0.00832 -0.00282 162 4YZ -0.02536 -0.00345 0.00868 0.01048 -0.00592 163 17 O 1S 0.00966 0.00008 0.00208 -0.00447 0.00143 164 2S -0.31780 0.11933 0.05473 0.08715 -0.07628 165 2PX -0.16593 0.01757 -0.09311 0.11200 -0.08354 166 2PY -0.40224 0.03982 -0.02035 0.13441 -0.09016 167 2PZ 0.08706 0.07263 -0.05660 -0.02680 -0.01817 168 3S 0.11952 -0.37282 -0.25740 0.04089 0.06320 169 3PX 0.45956 -0.02833 0.12571 -0.25025 0.16694 170 3PY 0.66179 0.01389 0.12228 -0.27985 0.14988 171 3PZ -0.17150 -0.07845 0.04391 0.05897 0.00712 172 4XX -0.11158 0.04660 0.00490 0.03747 -0.03496 173 4YY -0.16120 0.01526 0.00377 0.05435 -0.03714 174 4ZZ -0.09851 0.05191 0.02323 0.02240 -0.02295 175 4XY -0.02556 0.01396 0.00692 0.00355 -0.00324 176 4XZ 0.00974 0.00724 -0.00129 -0.00191 -0.00068 177 4YZ 0.00657 -0.00101 -0.00162 -0.00345 0.00333 178 18 H 1S 0.26537 0.20565 0.07310 -0.08764 -0.01978 179 2S -0.00048 -0.66703 -0.22940 0.01716 0.16743 180 19 H 1S -0.04761 0.34483 0.20304 0.02963 0.00163 181 2S -0.11835 -1.43183 -0.95706 0.13516 -0.04554 182 20 H 1S 0.05115 0.01100 0.11815 -0.07116 0.30423 183 2S -0.49427 -0.40473 -0.13832 0.29606 -0.65479 184 21 H 1S -0.18656 -0.05773 0.19229 -0.03874 -0.14802 185 2S 0.78293 0.28786 -0.13381 -0.12442 0.36079 186 22 H 1S -0.04128 0.10609 0.14742 -0.05894 -0.37760 187 2S -0.22547 -0.11514 -0.25746 0.18496 0.99104 188 23 H 1S -0.04888 0.02199 -0.11107 0.16139 0.27069 189 2S 0.21452 0.20364 0.30279 -0.32739 -0.77539 190 24 H 1S -0.23673 -0.09426 -0.13912 -0.10893 0.12412 191 2S 1.04661 0.21733 0.81943 1.10379 -0.50616 192 25 H 1S -0.01415 -0.05388 -0.23697 -0.53996 -0.08662 193 2S -0.17655 0.04122 0.28230 0.51724 -0.02893 194 26 H 1S 0.03104 -0.18677 0.09098 0.09080 -0.11934 195 2S 0.05630 0.23853 -0.08162 0.01083 0.17689 196 27 H 1S -0.11086 0.13455 0.00775 0.11798 0.17091 197 2S 0.24950 -0.25945 0.03953 -0.09017 -0.28528 106 107 108 109 110 V V V V V Eigenvalues -- 0.89352 0.90132 0.91205 0.92679 0.94581 1 1 C 1S -0.01056 0.00117 0.00063 0.00649 0.02465 2 2S 0.04778 0.01109 -0.25798 -0.24640 -0.78506 3 2PX 0.05859 -0.12265 0.15541 0.10599 0.28907 4 2PY -0.17239 0.03051 -0.05005 -0.10788 -0.00413 5 2PZ -0.07763 -0.57818 0.05024 -0.29987 -0.05197 6 3S -0.13903 -0.01275 1.00288 0.66109 1.19944 7 3PX -0.12264 0.22324 -0.07277 -0.02045 -0.58484 8 3PY 0.21676 -0.05947 0.27093 0.12944 -0.37907 9 3PZ 0.26785 0.89721 -0.25324 0.41018 0.11849 10 4XX 0.00785 -0.05009 0.02020 -0.01855 -0.09695 11 4YY -0.08124 0.01267 -0.07119 -0.07075 -0.03544 12 4ZZ 0.06679 0.04221 0.01700 0.05764 0.02590 13 4XY 0.00637 0.01491 0.00683 0.01298 -0.03682 14 4XZ -0.00489 -0.13643 0.01658 -0.04270 0.02833 15 4YZ -0.00935 0.05693 0.01024 0.03027 0.00340 16 2 C 1S 0.00005 0.00046 -0.00389 -0.00601 -0.02349 17 2S -0.09214 -0.00102 -0.13477 -0.02963 -0.30457 18 2PX 0.08343 -0.04504 -0.13592 -0.02219 0.15899 19 2PY 0.01150 0.00164 -0.07750 -0.11840 -0.07178 20 2PZ 0.10454 -0.08024 -0.08697 -0.09117 -0.02140 21 3S 0.59255 -0.06353 0.31356 -0.20272 0.32473 22 3PX -0.05243 0.07301 0.84303 0.01693 -1.02619 23 3PY -0.04881 -0.03733 0.45461 0.56956 0.41164 24 3PZ -0.29465 0.23323 0.07675 0.34114 0.17497 25 4XX 0.00552 0.01247 0.00429 -0.01913 -0.05176 26 4YY 0.00784 -0.00412 -0.01993 -0.00846 -0.06523 27 4ZZ -0.01227 -0.00872 0.00788 0.00656 0.03567 28 4XY -0.01515 0.01224 -0.00777 0.02493 -0.00967 29 4XZ 0.00032 0.03667 -0.01326 0.01877 0.02422 30 4YZ 0.02968 0.07084 -0.02155 0.02583 -0.00172 31 3 C 1S -0.00742 0.00373 -0.00069 -0.00111 0.02246 32 2S 0.26598 -0.07980 0.01445 0.01572 -0.76608 33 2PX -0.12903 0.10704 -0.25900 -0.03200 0.21444 34 2PY 0.05370 -0.02321 -0.01418 0.02080 -0.22769 35 2PZ 0.28957 0.35446 -0.25350 0.12191 -0.00846 36 3S -0.54795 0.15844 -0.31833 -0.33016 1.24046 37 3PX 0.26085 -0.23573 0.18899 -0.02887 -0.13643 38 3PY 0.03926 -0.01222 0.08646 0.13766 0.62575 39 3PZ -0.34645 -0.72654 0.40815 -0.37382 -0.01833 40 4XX 0.06711 0.01530 0.02901 0.02706 -0.02362 41 4YY 0.03606 -0.01065 -0.00951 -0.01060 -0.10088 42 4ZZ -0.06678 -0.01490 -0.02378 -0.01621 0.02114 43 4XY 0.04909 -0.02109 0.05970 0.01773 0.02918 44 4XZ 0.05091 0.06829 -0.07672 -0.01556 0.01481 45 4YZ -0.04243 -0.06536 0.01970 -0.03183 -0.00618 46 4 H 1S 0.20174 -0.01125 0.27952 0.09856 0.19009 47 2S -0.47008 0.10065 -0.35977 -0.17120 -0.48645 48 5 H 1S 0.03587 0.36923 -0.36871 -0.04434 0.35215 49 2S -0.04919 -0.88662 0.74605 -0.12358 -0.73125 50 6 H 1S -0.50713 -0.24778 0.09584 -0.11801 0.31279 51 2S 0.91964 0.66512 -0.27747 0.34141 -0.64148 52 7 C 1S -0.00055 -0.00398 0.00801 0.01451 -0.01174 53 2S -0.00586 -0.05710 -0.41648 -0.20455 -0.07240 54 2PX -0.07311 -0.03630 -0.04698 0.08765 0.05308 55 2PY 0.09167 -0.05204 0.31382 0.12453 -0.07497 56 2PZ -0.02468 0.08012 0.03631 0.12792 0.02204 57 3S -0.51406 0.20266 0.29874 1.10994 0.74747 58 3PX 0.15032 0.11640 -0.07301 -0.27177 -0.38578 59 3PY -0.32732 0.21208 -1.00655 -0.19082 0.47976 60 3PZ 0.19551 -0.28897 -0.07128 -0.46379 0.08108 61 4XX -0.05449 0.00486 -0.07643 0.00782 0.00961 62 4YY 0.02313 -0.01964 0.04766 0.05790 -0.02696 63 4ZZ 0.00209 0.00766 -0.03825 -0.05296 0.01779 64 4XY -0.01879 -0.00067 0.00998 0.02527 -0.02876 65 4XZ 0.00045 0.01468 0.04594 0.00212 -0.00751 66 4YZ -0.00765 0.00690 0.01414 0.00556 0.00777 67 8 C 1S 0.00306 0.00429 0.00070 -0.00671 0.01353 68 2S -0.16653 -0.23464 -0.56518 0.38502 -0.23621 69 2PX 0.07454 -0.11798 -0.17401 -0.05536 -0.03859 70 2PY 0.28746 -0.04262 0.12419 -0.09847 -0.09345 71 2PZ 0.08098 0.10326 0.37102 -0.29185 0.08702 72 3S 0.48123 0.31311 1.40917 -0.91769 0.48923 73 3PX -0.41234 0.42157 0.13907 0.38895 0.08618 74 3PY -0.73618 0.05927 -0.39603 0.45574 -0.02334 75 3PZ -0.05375 -0.08581 -0.62062 0.63294 -0.09938 76 4XX -0.01878 -0.03627 -0.04805 0.05361 -0.05023 77 4YY -0.04280 0.00021 -0.02346 0.00508 0.00859 78 4ZZ 0.05751 -0.00691 -0.01383 -0.01435 0.02332 79 4XY -0.00086 -0.00147 -0.05499 -0.03070 0.00475 80 4XZ 0.01451 -0.03182 -0.05685 -0.01147 0.00550 81 4YZ 0.04237 0.04119 0.04430 -0.04571 -0.00302 82 9 C 1S -0.01444 0.00904 0.00206 -0.00032 -0.01261 83 2S 0.24451 -0.26778 -0.28909 0.17516 0.42427 84 2PX -0.12861 0.10104 0.12272 0.13435 -0.15471 85 2PY 0.11667 -0.01287 -0.18455 0.09034 -0.11407 86 2PZ 0.18431 -0.15100 -0.21010 0.03127 0.20941 87 3S -0.40756 0.23801 0.27618 -0.78681 -0.84542 88 3PX 0.57528 -0.34487 -0.34450 -0.60077 0.43574 89 3PY -0.09441 -0.05335 0.32956 -0.33842 0.25418 90 3PZ -0.12480 0.32123 0.53238 -0.08277 -0.34772 91 4XX 0.03894 -0.04146 -0.03896 0.01580 0.07022 92 4YY 0.06131 0.02120 -0.02491 -0.07976 0.00184 93 4ZZ -0.07104 -0.02274 0.01029 0.07089 -0.02196 94 4XY -0.00081 -0.01396 -0.01383 0.00586 0.00566 95 4XZ 0.05846 -0.04053 -0.03722 -0.03423 0.02616 96 4YZ -0.04424 0.01236 0.06380 0.01669 -0.01390 97 10 C 1S 0.00921 -0.00401 -0.00425 0.00414 0.00987 98 2S -0.04344 -0.10081 -0.14282 0.15278 0.15772 99 2PX 0.09122 0.01240 0.16426 -0.02909 0.01649 100 2PY -0.04773 0.01649 -0.06221 0.10814 -0.01467 101 2PZ 0.26991 -0.03535 0.03932 -0.23371 0.06355 102 3S -0.54937 0.04033 -0.00779 0.91670 -0.54986 103 3PX -0.25968 -0.29674 -0.59331 0.05550 0.11914 104 3PY 0.29589 -0.00917 0.25412 -0.85215 0.19875 105 3PZ -0.69679 0.18464 -0.03425 0.58034 -0.15786 106 4XX -0.03606 0.00082 -0.01594 0.05112 0.02214 107 4YY 0.01144 -0.02144 -0.01803 0.03856 0.00956 108 4ZZ 0.01417 0.00393 0.00726 -0.03867 -0.00301 109 4XY 0.00359 0.00723 0.00831 -0.00849 0.00847 110 4XZ -0.04737 0.03392 0.02999 0.01374 -0.02594 111 4YZ -0.01829 0.00908 0.01534 -0.00255 -0.01280 112 11 C 1S -0.02055 0.00494 -0.00579 -0.00280 0.00123 113 2S 0.20670 -0.27766 -0.19618 0.42471 -0.04094 114 2PX -0.02274 0.08631 -0.00199 -0.28934 0.01638 115 2PY 0.10188 -0.09557 -0.00981 0.13695 -0.02937 116 2PZ -0.17305 0.08786 0.09454 0.03311 -0.07907 117 3S -0.34724 0.58525 0.35746 -0.57197 0.08941 118 3PX 0.11799 -0.00155 0.28406 0.26497 0.02543 119 3PY 0.01522 0.08971 0.09399 -0.43910 0.06495 120 3PZ 0.60530 -0.24632 -0.15468 -0.25441 0.21488 121 4XX -0.01476 -0.05071 -0.01999 0.11053 -0.01807 122 4YY 0.03107 -0.02791 -0.02940 0.04819 0.00330 123 4ZZ 0.00274 0.03762 0.01339 -0.09239 0.00727 124 4XY -0.00681 -0.01268 0.02100 0.03928 -0.00259 125 4XZ -0.00235 -0.00364 0.02358 0.02872 -0.01567 126 4YZ 0.03498 -0.01057 -0.02448 -0.02149 0.01884 127 12 H 1S -0.19234 -0.10793 -0.04865 0.37209 -0.05420 128 2S 0.07307 0.07150 -0.24218 -0.43356 0.02109 129 13 H 1S -0.23290 0.20520 0.11405 -0.25404 -0.01659 130 2S 0.52245 -0.47357 -0.30576 0.45837 0.12737 131 14 H 1S -0.10245 0.14334 -0.12390 -0.34737 0.12025 132 2S -0.23029 -0.13226 0.19905 0.88986 -0.30214 133 15 C 1S -0.00784 -0.00298 0.00157 0.00663 0.00454 134 2S 0.14966 -0.13296 -0.04461 0.17880 0.09554 135 2PX -0.02965 0.04184 0.09513 -0.05327 0.03670 136 2PY -0.26654 0.06599 0.00726 -0.00654 0.04138 137 2PZ -0.02283 0.02187 0.03534 0.01302 -0.01615 138 3S -0.10233 0.49099 0.18326 -0.96250 -0.26993 139 3PX -0.04879 -0.18693 -0.54789 0.62630 -0.42395 140 3PY 0.73070 0.07823 0.08128 -0.35109 -0.12819 141 3PZ 0.29738 -0.07213 0.03151 -0.31251 0.14414 142 4XX 0.04199 -0.00340 -0.01228 -0.03112 -0.00653 143 4YY -0.03823 -0.01076 0.00578 0.03519 0.02686 144 4ZZ 0.01961 0.00151 0.00731 -0.00014 -0.00927 145 4XY -0.02985 0.00718 -0.02225 0.00963 -0.00417 146 4XZ 0.01286 -0.00872 -0.00539 -0.00592 0.00627 147 4YZ -0.01546 0.00728 0.00044 0.01594 -0.00004 148 16 C 1S 0.00964 -0.00603 0.00162 0.00796 -0.00744 149 2S 0.15928 0.04893 -0.13362 -0.10577 -0.23998 150 2PX 0.04459 -0.04653 0.03160 0.08278 0.01471 151 2PY 0.01776 -0.00870 0.03875 -0.01959 0.04608 152 2PZ -0.01484 0.00263 -0.04011 -0.01443 0.00189 153 3S -0.20052 -0.14898 0.63945 0.10377 0.79974 154 3PX -0.03908 0.12860 -0.24856 -0.17339 -0.24981 155 3PY -0.12412 -0.14527 -0.01224 0.48853 -0.14646 156 3PZ -0.05809 0.02379 0.13852 0.07399 0.01401 157 4XX 0.00434 0.00913 -0.00362 -0.00838 -0.01466 158 4YY 0.04220 -0.02816 0.01354 0.04134 -0.02649 159 4ZZ -0.00317 0.00965 -0.01191 -0.02293 0.00472 160 4XY 0.03244 -0.00455 0.01852 -0.00585 0.00774 161 4XZ -0.01844 0.00740 0.01058 0.01344 -0.00437 162 4YZ -0.01690 0.00345 -0.01056 0.00616 0.00030 163 17 O 1S 0.00194 -0.00145 0.00140 0.00195 0.00116 164 2S -0.12351 0.04798 -0.03219 -0.04812 0.04553 165 2PX -0.06585 0.02487 -0.02826 -0.01473 0.01783 166 2PY -0.08411 0.05137 -0.05612 -0.06509 0.01266 167 2PZ 0.05782 -0.02563 0.05296 0.01806 -0.01338 168 3S 0.24010 0.01976 -0.02740 -0.15290 -0.11322 169 3PX 0.12940 -0.09730 0.09446 0.12897 0.00076 170 3PY 0.15578 -0.09669 0.11797 0.12904 -0.01040 171 3PZ -0.05622 0.03183 -0.09085 -0.06004 0.02077 172 4XX -0.03844 0.01680 -0.01158 -0.01518 0.00659 173 4YY -0.04578 0.03210 -0.02599 -0.04833 0.01468 174 4ZZ -0.04514 0.00823 -0.00440 -0.00097 0.02887 175 4XY -0.00313 -0.00075 -0.00335 0.00148 -0.00116 176 4XZ -0.00533 0.00106 0.00990 0.00719 0.00159 177 4YZ 0.00788 -0.00320 -0.00246 -0.00689 0.00430 178 18 H 1S -0.01746 -0.07672 0.03120 0.18336 -0.02807 179 2S 0.04508 -0.00265 -0.03685 0.06544 -0.10162 180 19 H 1S -0.24667 0.00987 -0.01481 0.07394 0.05314 181 2S 0.72745 -0.04373 -0.03591 -0.08110 -0.20876 182 20 H 1S -0.45760 0.19311 0.33659 0.11740 -0.30911 183 2S 0.84042 -0.44381 -0.85544 -0.15990 0.71938 184 21 H 1S 0.08806 0.15877 -0.08699 -0.26490 -0.19212 185 2S -0.24981 -0.29080 0.18212 0.34747 0.52477 186 22 H 1S 0.21757 0.23345 0.42800 -0.25811 0.13592 187 2S -0.52242 -0.41681 -1.15579 0.76916 -0.30480 188 23 H 1S -0.13729 0.09404 0.08413 -0.07975 0.15556 189 2S 0.63560 -0.15845 0.01775 0.01911 -0.15603 190 24 H 1S 0.07891 -0.06425 0.30840 0.32658 -0.07033 191 2S -0.29230 0.18652 -1.08518 -0.65048 0.33301 192 25 H 1S -0.35096 0.04145 -0.14817 -0.15170 0.19538 193 2S 0.57274 -0.08953 0.27827 0.26264 -0.58113 194 26 H 1S 0.12846 0.50955 0.11283 0.41322 0.34735 195 2S -0.40100 -1.06407 -0.17845 -0.85910 -0.69133 196 27 H 1S 0.04782 -0.52920 0.18300 -0.00627 0.35803 197 2S -0.05432 1.16991 -0.54061 0.10231 -0.69514 111 112 113 114 115 V V V V V Eigenvalues -- 0.94952 0.96385 0.96988 0.98454 0.99731 1 1 C 1S 0.00006 -0.00819 -0.02287 0.01045 0.00576 2 2S -0.15418 0.06305 0.76588 -0.30291 -0.14370 3 2PX 0.19154 0.00783 -0.26485 0.12538 0.06223 4 2PY -0.43066 -0.22559 -0.33681 0.07705 0.09022 5 2PZ 0.04072 -0.01154 0.01215 -0.05988 -0.00497 6 3S -0.18532 -0.06975 -1.80708 0.76893 0.30923 7 3PX -0.39827 0.00896 0.39243 -0.10915 -0.10253 8 3PY 0.13348 0.40100 0.66591 -0.37137 -0.19745 9 3PZ -0.02552 0.00300 -0.03158 0.07375 0.02655 10 4XX -0.03924 0.01077 0.05797 -0.01932 -0.02387 11 4YY -0.08737 -0.06219 0.01580 -0.02649 0.00223 12 4ZZ 0.09807 0.05469 0.02210 0.01315 0.00476 13 4XY 0.01961 0.02177 0.04520 -0.00252 -0.00577 14 4XZ 0.04668 0.00673 -0.01445 0.00341 0.00806 15 4YZ -0.01630 -0.00287 -0.00127 0.00695 -0.00340 16 2 C 1S -0.01040 0.00159 0.00392 0.00430 -0.00048 17 2S -0.33453 -0.17281 -0.01423 0.20099 -0.08817 18 2PX 0.16147 -0.08146 -0.03730 0.07659 -0.03320 19 2PY -0.10944 0.02369 0.03043 -0.05759 0.01028 20 2PZ 0.01509 -0.00865 -0.01265 -0.03135 0.02970 21 3S 0.44877 0.77651 0.32480 -0.90727 0.37135 22 3PX -1.23912 0.58263 0.25897 -0.52846 0.08687 23 3PY 0.80033 -0.06013 -0.19097 0.53027 -0.19614 24 3PZ 0.08068 -0.05024 0.03651 0.17397 -0.07916 25 4XX -0.04617 0.00433 0.03130 -0.01453 -0.01185 26 4YY -0.04561 -0.00561 -0.01893 0.02924 0.00452 27 4ZZ 0.01629 -0.01194 -0.00729 -0.00227 0.00157 28 4XY 0.00601 -0.00115 0.01761 0.01231 -0.01321 29 4XZ 0.00969 0.00231 -0.01103 -0.00020 0.00235 30 4YZ -0.00564 -0.00348 0.00106 0.00090 0.00703 31 3 C 1S 0.00142 -0.01597 0.01216 -0.01296 -0.00512 32 2S -0.23432 0.36017 -0.43448 0.49972 0.15356 33 2PX 0.37342 0.16750 0.10377 0.10737 -0.00075 34 2PY 0.09223 0.25805 -0.15848 0.26650 0.08090 35 2PZ -0.10716 0.00383 -0.00617 -0.03828 0.00247 36 3S -0.11812 -0.93138 1.00199 -1.33425 -0.30232 37 3PX -0.20613 -0.32193 -0.07813 -0.15525 -0.08738 38 3PY 0.40667 -0.39340 0.21854 -0.35630 -0.14251 39 3PZ 0.17514 -0.02626 -0.05788 0.04367 0.02454 40 4XX -0.07548 -0.04603 -0.06016 -0.00636 0.01727 41 4YY -0.06164 0.02434 -0.05250 0.05011 0.01414 42 4ZZ 0.09637 0.06057 0.05675 0.01539 -0.01220 43 4XY -0.01534 -0.02610 -0.01930 -0.02066 -0.01138 44 4XZ 0.04446 0.02242 0.01626 -0.00300 -0.00153 45 4YZ 0.00896 0.00297 -0.00138 0.00045 0.00213 46 4 H 1S -0.40728 -0.44973 -0.08143 -0.28744 -0.04573 47 2S 0.39449 0.96713 0.07064 0.68410 0.13797 48 5 H 1S 0.21107 -0.07043 0.29677 -0.19100 -0.09527 49 2S -0.40434 0.08738 -0.59317 0.40542 0.14379 50 6 H 1S 0.21582 -0.08778 0.32116 -0.16792 -0.10622 51 2S -0.53260 0.18187 -0.55638 0.35017 0.16223 52 7 C 1S -0.00134 0.00145 -0.00299 0.00656 -0.00408 53 2S -0.00411 -0.07772 -0.00290 0.14473 -0.03096 54 2PX -0.15913 -0.12350 -0.07812 0.12411 -0.11899 55 2PY 0.06335 0.29845 0.14724 -0.03382 -0.13003 56 2PZ -0.07846 0.08040 0.05851 0.05318 -0.04428 57 3S 0.80990 0.20956 0.00691 0.29009 -0.00991 58 3PX -0.35275 0.65681 0.41971 -0.83319 0.54786 59 3PY 0.16165 -0.93614 -0.52635 0.26149 0.34852 60 3PZ 0.29486 -0.19215 -0.19412 -0.00104 -0.03583 61 4XX 0.01397 -0.03104 -0.02108 0.04330 0.01759 62 4YY 0.00536 0.04505 0.02437 0.00277 -0.04011 63 4ZZ 0.01006 -0.02557 -0.01150 -0.01307 0.01960 64 4XY -0.02183 0.04206 -0.00782 -0.00446 0.01642 65 4XZ -0.00665 -0.01582 0.01761 -0.00681 0.00648 66 4YZ -0.00662 -0.01159 0.00907 0.00112 -0.00130 67 8 C 1S -0.01037 -0.00741 0.00871 0.00344 -0.00372 68 2S 0.30253 0.04398 -0.21403 0.12847 0.21333 69 2PX 0.12256 -0.14388 -0.04161 0.03866 -0.05066 70 2PY 0.12918 -0.01377 -0.14058 0.04499 0.05290 71 2PZ -0.07763 0.00556 0.07133 -0.03221 -0.09174 72 3S -0.68203 -0.09519 0.48363 -0.10583 -0.70411 73 3PX -0.33955 0.34703 0.03864 -0.18862 0.37306 74 3PY -0.39837 0.36316 0.56835 -0.25340 0.09724 75 3PZ 0.03814 -0.09612 -0.02472 -0.00661 0.23610 76 4XX 0.02625 0.02322 -0.04393 0.03819 0.01651 77 4YY 0.01554 -0.02875 0.02940 -0.01517 -0.00858 78 4ZZ -0.01527 0.00457 -0.00361 0.00269 0.00961 79 4XY 0.00166 -0.01066 -0.01114 0.01650 0.01519 80 4XZ 0.01990 0.00534 -0.01383 -0.00037 -0.00079 81 4YZ 0.01563 -0.01794 -0.01082 -0.00998 0.00173 82 9 C 1S 0.01219 -0.00251 -0.00708 -0.00266 0.00509 83 2S -0.56487 0.39503 0.18492 0.13717 -0.39829 84 2PX 0.11692 -0.06723 -0.00053 0.04359 -0.03076 85 2PY 0.16725 -0.36270 -0.01647 -0.09329 0.13113 86 2PZ -0.23656 0.17842 0.06709 0.08212 -0.15719 87 3S 1.46516 -1.02430 -0.43361 -0.84419 1.01535 88 3PX -0.13833 0.09656 0.01653 -0.57239 0.21257 89 3PY -0.17506 0.65956 -0.32200 -0.02327 -0.76814 90 3PZ 0.39782 -0.32407 -0.17672 -0.07707 0.39738 91 4XX -0.07778 0.06332 0.03800 -0.00870 -0.03019 92 4YY 0.03715 -0.04835 -0.01524 -0.00291 0.01600 93 4ZZ -0.01706 0.04130 -0.00691 0.01625 -0.02517 94 4XY -0.00507 0.01518 0.01071 0.00605 -0.00894 95 4XZ 0.00161 0.00135 0.00181 0.01510 -0.02025 96 4YZ 0.00827 -0.00439 0.01092 -0.02273 -0.00812 97 10 C 1S -0.01033 0.00962 0.00697 -0.01396 0.01654 98 2S -0.17693 0.05090 0.26700 -0.07592 0.69794 99 2PX -0.00748 -0.08041 0.19793 0.18302 0.24094 100 2PY -0.05076 0.04056 -0.10741 -0.07090 -0.12225 101 2PZ 0.04213 -0.04588 -0.01810 -0.05470 -0.06858 102 3S 0.04601 -0.11710 -1.00668 0.26074 -2.72986 103 3PX -0.05140 0.22090 -0.70655 -1.04520 -1.20298 104 3PY 0.18169 -0.01699 0.83574 0.33369 1.35561 105 3PZ -0.15581 0.17338 0.09942 0.23139 0.18293 106 4XX -0.04942 0.03179 0.02968 0.00466 0.02575 107 4YY -0.01834 0.00153 0.00731 -0.04861 0.05641 108 4ZZ 0.02195 -0.01644 -0.00620 0.02150 -0.02413 109 4XY -0.01071 0.01795 0.01807 0.01449 0.01555 110 4XZ 0.00471 -0.00079 -0.00491 -0.01050 0.00221 111 4YZ 0.01860 -0.00982 -0.01349 0.00681 0.00571 112 11 C 1S -0.00500 -0.00243 0.01191 0.02415 -0.00229 113 2S -0.01019 0.02040 -0.17980 -0.71437 0.13455 114 2PX 0.03318 0.16166 -0.04272 -0.00889 0.14313 115 2PY 0.02850 0.01882 -0.08192 -0.32587 0.06469 116 2PZ 0.06472 0.03355 -0.14138 -0.13671 -0.04977 117 3S -0.10527 -0.03327 0.15583 1.49927 -0.40975 118 3PX -0.09353 -0.08309 0.19523 0.28146 0.19419 119 3PY 0.03735 -0.05431 0.25533 0.61381 -0.05795 120 3PZ -0.07365 -0.17928 0.29634 0.21077 0.05573 121 4XX -0.00140 -0.09144 0.05079 0.00715 -0.04025 122 4YY -0.01179 0.01201 -0.02121 -0.09079 0.04128 123 4ZZ 0.00986 0.08107 -0.05152 0.00173 0.01176 124 4XY -0.00633 -0.01735 0.01550 -0.00141 0.01124 125 4XZ 0.01045 -0.03373 -0.00461 -0.03006 -0.01232 126 4YZ -0.01301 0.00662 0.01407 0.00849 -0.01096 127 12 H 1S -0.04195 -0.40298 0.29077 0.32729 -0.19112 128 2S 0.09600 0.57379 -0.55677 -0.82192 0.08255 129 13 H 1S 0.03118 0.10229 -0.04920 0.25025 0.03029 130 2S -0.14447 -0.24385 0.26013 -0.41924 0.07484 131 14 H 1S -0.10496 0.21704 0.08827 0.42313 0.01317 132 2S 0.12025 -0.21693 -0.28092 -0.90868 0.08211 133 15 C 1S -0.00711 0.00370 0.00750 0.00035 0.01654 134 2S -0.15617 0.04305 0.23656 -0.10518 0.68801 135 2PX -0.02219 -0.00826 0.13578 0.07432 0.25807 136 2PY -0.09196 0.25214 -0.19171 -0.05520 -0.24653 137 2PZ -0.00525 -0.00521 -0.01946 0.00909 -0.04345 138 3S 0.62714 0.01762 -0.48835 0.36320 -1.03791 139 3PX 0.23157 -0.26549 -1.28272 -0.55061 -2.38146 140 3PY 0.34128 -0.48358 0.53182 0.28006 1.20531 141 3PZ 0.02175 0.01781 0.21417 -0.00654 0.42838 142 4XX 0.02559 -0.01260 -0.00873 -0.02712 0.03899 143 4YY -0.04626 0.04477 0.02925 0.01195 0.05362 144 4ZZ 0.00686 -0.02050 0.00858 0.00296 -0.00004 145 4XY -0.00776 0.03474 -0.06082 -0.04329 -0.08337 146 4XZ 0.00220 -0.01087 0.00724 0.02857 -0.01003 147 4YZ -0.01463 0.00970 0.01766 0.00284 0.01737 148 16 C 1S 0.00750 -0.01821 -0.00287 0.00550 -0.02373 149 2S 0.31892 -0.19899 -0.49817 -0.10361 -1.08744 150 2PX -0.04522 -0.08002 0.15882 0.11460 0.15579 151 2PY -0.03366 0.05473 0.03515 -0.02847 0.10343 152 2PZ -0.00129 0.04882 -0.04597 -0.07694 -0.03444 153 3S -0.92437 0.48691 1.92279 0.62460 3.53547 154 3PX 0.34816 0.04882 -0.91062 -0.49267 -1.14624 155 3PY -0.03287 -0.40914 0.05070 0.38385 -0.65861 156 3PZ -0.04138 -0.11122 0.22407 0.35445 0.22865 157 4XX 0.01902 -0.00094 -0.03772 -0.03033 -0.01694 158 4YY 0.02378 -0.08556 0.01357 0.05882 -0.12193 159 4ZZ -0.00016 0.02415 -0.00978 -0.01023 0.00794 160 4XY -0.00371 -0.01160 0.05267 0.03518 0.06956 161 4XZ -0.00476 -0.00528 0.01062 0.02211 0.00284 162 4YZ -0.00505 0.01413 -0.00926 -0.00757 -0.00331 163 17 O 1S -0.00202 0.00106 0.00264 0.00015 0.00535 164 2S -0.05684 0.14632 -0.02188 -0.05396 0.07403 165 2PX -0.01637 0.09959 -0.04408 -0.07289 0.28370 166 2PY -0.00107 0.07549 -0.08526 -0.07039 -0.07655 167 2PZ 0.05927 -0.22123 0.12799 0.45367 -0.03919 168 3S 0.22052 -0.13896 -0.20108 -0.10534 -0.29989 169 3PX -0.03727 -0.22039 0.24850 0.24109 -0.22596 170 3PY -0.00829 -0.18151 0.20827 0.20107 0.09154 171 3PZ -0.06071 0.30015 -0.20007 -0.62844 0.02594 172 4XX -0.00748 0.03584 -0.02458 -0.02684 -0.01114 173 4YY -0.01008 0.09042 -0.05778 -0.07209 0.01677 174 4ZZ -0.04069 0.05291 0.03407 -0.00118 0.10536 175 4XY 0.00157 -0.00957 0.00053 0.00941 -0.03384 176 4XZ -0.00631 -0.00090 0.01372 0.00691 0.02493 177 4YZ -0.00169 0.00789 -0.00102 -0.01713 0.01250 178 18 H 1S -0.01961 -0.15770 0.07639 0.09480 -0.01759 179 2S 0.06555 -0.17683 -0.00934 0.21384 -0.43613 180 19 H 1S -0.11547 0.19826 -0.08032 0.02559 -0.17177 181 2S 0.34878 -0.66588 0.33031 0.02355 0.90535 182 20 H 1S 0.23344 -0.10357 -0.08670 -0.16318 0.12837 183 2S -0.67124 0.29225 0.32450 0.22227 -0.34618 184 21 H 1S 0.38790 -0.42215 -0.16037 -0.09818 0.16160 185 2S -0.82962 1.12078 0.03748 0.18747 -1.06742 186 22 H 1S -0.14985 -0.09218 0.13059 -0.06051 -0.07053 187 2S 0.32823 -0.00020 -0.11676 0.10228 0.26189 188 23 H 1S -0.05782 -0.13502 0.22050 -0.06845 -0.15979 189 2S 0.39385 -0.23764 -0.71707 0.21184 0.24288 190 24 H 1S 0.03174 0.22279 0.09778 -0.00282 -0.16250 191 2S -0.04281 -0.96721 -0.52031 0.17598 0.45712 192 25 H 1S -0.45413 -0.36198 -0.42217 0.04847 0.11029 193 2S 0.63418 0.72029 1.09851 -0.38891 -0.28041 194 26 H 1S 0.14980 0.04841 -0.29058 0.19507 0.07971 195 2S -0.30136 -0.16320 0.57198 -0.37008 -0.12354 196 27 H 1S 0.26512 0.02818 -0.34628 0.15897 0.09647 197 2S -0.56613 -0.12468 0.68908 -0.26007 -0.14395 116 117 118 119 120 V V V V V Eigenvalues -- 1.01245 1.02493 1.05617 1.10744 1.14522 1 1 C 1S -0.00386 -0.00300 -0.00610 0.00122 -0.00182 2 2S 0.21354 -0.02824 0.10220 0.02080 0.02983 3 2PX -0.05934 -0.03705 -0.04042 0.04441 -0.00753 4 2PY -0.08076 0.02136 -0.09067 -0.01656 0.03364 5 2PZ -0.02494 0.08274 0.01279 -0.00669 -0.00303 6 3S -0.61995 -0.09701 -0.66459 0.22825 0.18755 7 3PX 0.06829 -0.15378 -0.14587 0.18530 0.02076 8 3PY 0.13716 0.37770 0.21860 -0.22530 0.28603 9 3PZ 0.03148 -0.03690 0.06676 -0.04884 0.01407 10 4XX 0.02722 -0.02906 0.00032 0.02478 -0.01208 11 4YY 0.01457 -0.00667 0.00506 0.00164 -0.00307 12 4ZZ -0.01621 0.02059 -0.00576 -0.01309 0.01590 13 4XY -0.00073 -0.02001 -0.02437 0.02174 0.00127 14 4XZ -0.01385 0.01830 -0.00034 -0.00764 0.00604 15 4YZ 0.01143 -0.02705 -0.00659 -0.00075 -0.00210 16 2 C 1S -0.00194 -0.01178 -0.00838 0.01589 -0.01658 17 2S 0.12940 -0.60222 -0.08861 0.49787 -0.61229 18 2PX 0.09637 -0.23139 0.12003 0.13344 -0.28648 19 2PY -0.06006 0.20677 0.04222 -0.11717 0.05212 20 2PZ -0.04823 0.10902 0.00605 -0.03111 0.05705 21 3S -1.00224 3.28875 0.12440 -2.25006 2.37069 22 3PX -0.79032 1.86647 -0.67738 -0.98572 1.77461 23 3PY 0.45603 -1.77770 -0.16948 1.21557 -0.64714 24 3PZ 0.25077 -0.61063 0.02291 0.20941 -0.34190 25 4XX -0.01455 0.01381 -0.02200 0.01931 -0.00305 26 4YY 0.00619 -0.04162 0.00094 0.03196 -0.05957 27 4ZZ 0.01136 -0.00756 0.00620 -0.01316 0.01182 28 4XY 0.02796 -0.06776 -0.01233 0.03417 -0.02846 29 4XZ -0.00301 0.02452 0.01452 -0.00973 0.00539 30 4YZ 0.00352 -0.00797 0.00082 -0.01186 0.00653 31 3 C 1S 0.01045 -0.00441 0.00800 0.00320 -0.00764 32 2S -0.32217 0.03430 -0.26403 0.08835 -0.22415 33 2PX -0.12077 0.00546 -0.09605 0.05450 -0.09336 34 2PY -0.24177 0.01504 -0.26847 0.07893 -0.01197 35 2PZ -0.02112 0.08243 -0.00287 -0.01378 0.01384 36 3S 0.81373 0.37355 1.00531 -0.65162 0.56738 37 3PX 0.47027 -0.34423 0.56596 0.04897 -0.26325 38 3PY 0.62817 -0.42459 0.69514 -0.01834 0.02774 39 3PZ -0.02717 -0.01368 0.00163 -0.00078 0.06162 40 4XX 0.01718 0.00061 0.01899 -0.01702 0.02907 41 4YY -0.02661 -0.00044 -0.00847 0.01328 -0.04931 42 4ZZ -0.02479 0.00591 -0.03406 0.01180 -0.01197 43 4XY 0.01811 0.00063 0.03145 0.00505 -0.01349 44 4XZ -0.02059 0.03301 -0.00031 0.00499 -0.00804 45 4YZ -0.01105 0.01800 -0.00238 0.00063 0.00252 46 4 H 1S 0.30445 -0.05094 0.32367 -0.09549 0.10026 47 2S -1.09972 0.43680 -1.38592 0.30257 -0.15810 48 5 H 1S 0.08791 0.03156 0.11027 0.02234 -0.05488 49 2S -0.13447 -0.13418 -0.13022 0.06941 -0.12394 50 6 H 1S 0.12523 -0.07514 0.07343 0.02451 -0.05654 51 2S -0.25006 0.10507 -0.17944 0.05019 -0.13496 52 7 C 1S 0.01046 -0.02048 0.00841 0.00179 0.01074 53 2S -0.09090 -0.23830 -0.25886 -0.15943 0.43886 54 2PX 0.17588 -0.44094 -0.02366 0.13285 -0.11104 55 2PY -0.04659 0.18030 0.03225 0.00218 0.04876 56 2PZ 0.03191 -0.05972 -0.00857 0.00319 0.03816 57 3S 0.77676 -0.87418 0.73234 1.13475 -2.20582 58 3PX -1.13152 3.39455 -0.11999 -1.80259 1.27318 59 3PY 0.55514 -1.00235 0.39658 0.02056 -0.49554 60 3PZ 0.03312 -0.25948 0.05594 0.33447 -0.29411 61 4XX 0.00169 -0.07343 -0.03171 0.00856 0.00119 62 4YY 0.04924 -0.05323 0.03197 -0.01511 0.03726 63 4ZZ -0.03645 0.05593 -0.01983 -0.00913 0.00645 64 4XY -0.00342 0.06032 0.01734 -0.06650 0.08226 65 4XZ 0.00705 -0.02849 -0.02347 -0.01376 -0.00275 66 4YZ -0.00132 -0.00773 -0.00656 0.00089 -0.01054 67 8 C 1S -0.00763 -0.00177 -0.01934 -0.01247 0.02629 68 2S 0.26637 -0.07253 0.26115 -0.54453 0.63047 69 2PX 0.05175 -0.26286 -0.05726 0.06292 -0.11371 70 2PY 0.23657 -0.22792 0.30571 -0.05947 0.04122 71 2PZ -0.12246 0.05823 -0.17801 0.03032 0.08062 72 3S -0.58539 -0.71311 -1.20075 1.78790 -1.31778 73 3PX -0.15197 1.24809 0.25868 -0.71633 0.45351 74 3PY -0.91946 1.34237 -1.13503 -0.28247 -0.16230 75 3PZ 0.18445 -0.13889 0.21796 -0.23570 0.01512 76 4XX 0.04704 -0.04960 0.06890 -0.02914 0.06653 77 4YY -0.03515 -0.02035 -0.11009 0.02598 0.03176 78 4ZZ 0.01420 0.03801 0.03744 -0.05717 0.00916 79 4XY -0.00182 -0.00399 0.01650 -0.00479 0.03154 80 4XZ -0.00321 0.02466 0.02082 0.01451 0.00699 81 4YZ -0.01319 0.03427 0.03724 0.02328 -0.01904 82 9 C 1S -0.00381 0.00701 0.00060 -0.02036 0.03796 83 2S -0.09058 -0.00038 -0.23770 -0.26964 0.69958 84 2PX 0.10252 -0.33188 -0.08142 -0.05686 0.10127 85 2PY -0.03157 0.01046 -0.08305 -0.01836 -0.11439 86 2PZ -0.02998 0.00416 0.05682 0.12308 -0.10461 87 3S 0.04340 0.55487 -0.38680 -0.69077 -1.98273 88 3PX -0.36659 1.34758 -0.09473 -0.63598 -0.59656 89 3PY 0.08216 0.56765 0.48607 0.44653 -0.07463 90 3PZ 0.19886 -0.19000 0.20701 -0.01372 0.22752 91 4XX -0.00094 0.02625 -0.04264 -0.09172 0.03889 92 4YY -0.03398 0.02701 0.01780 0.00045 0.06271 93 4ZZ 0.01695 -0.02703 -0.01331 0.00390 0.01404 94 4XY 0.01492 -0.03750 -0.03971 -0.04454 0.02946 95 4XZ 0.00192 -0.01599 0.01250 0.02211 0.01506 96 4YZ -0.00080 -0.01556 -0.03419 0.02320 -0.02119 97 10 C 1S 0.00244 0.01744 -0.00626 -0.02209 0.00546 98 2S -0.05359 0.29737 0.07523 -0.24593 0.60209 99 2PX -0.05845 -0.29462 0.11514 0.40224 0.27904 100 2PY 0.02388 0.31608 0.13949 0.21137 -0.18982 101 2PZ -0.03752 -0.03186 -0.03230 -0.02342 -0.05327 102 3S -0.06702 0.19150 0.58325 3.03364 -1.68696 103 3PX -0.13306 2.23511 -0.52475 -0.46332 -2.13888 104 3PY -0.16266 -2.03032 -1.15810 -2.52574 1.46893 105 3PZ 0.13442 -0.14102 0.00782 -0.08907 0.32209 106 4XX 0.00433 0.01588 -0.02233 -0.07210 0.01130 107 4YY -0.01515 0.08280 0.01704 0.05388 0.02289 108 4ZZ 0.00144 -0.04074 0.00355 0.00324 0.02302 109 4XY 0.02340 -0.05951 -0.03749 -0.06304 0.08185 110 4XZ -0.02538 0.05192 -0.01117 0.00334 -0.01648 111 4YZ 0.02675 -0.00034 0.00672 0.01246 -0.00141 112 11 C 1S -0.02082 0.00462 0.00438 -0.00237 0.02885 113 2S 0.07531 -0.07237 -0.58610 0.33060 0.47706 114 2PX 0.18855 -0.23273 -0.25204 0.19543 0.08619 115 2PY 0.11809 -0.07432 -0.27130 -0.08832 -0.06273 116 2PZ -0.02121 -0.06534 0.08628 -0.13187 -0.03060 117 3S -0.03041 1.14477 2.26934 0.31613 -1.38097 118 3PX -0.32236 -0.03197 0.99940 -0.19676 0.37999 119 3PY -0.27656 -0.39521 0.16838 -0.39574 0.19122 120 3PZ -0.05827 0.16374 -0.21784 0.38530 0.02553 121 4XX -0.07035 -0.00277 -0.08109 -0.02000 -0.00413 122 4YY 0.01596 0.05047 -0.02915 0.05912 0.04173 123 4ZZ 0.04836 -0.04543 0.05255 -0.00186 0.04359 124 4XY -0.02751 0.00099 0.03844 0.06075 0.00283 125 4XZ -0.02060 0.02492 -0.00769 -0.03150 -0.01726 126 4YZ -0.01205 -0.00290 -0.01222 -0.00030 -0.01434 127 12 H 1S -0.42228 0.12214 0.05595 -0.07839 0.00726 128 2S 0.76979 -0.26476 -1.09621 0.15248 0.09977 129 13 H 1S -0.04003 0.02852 0.37695 -0.09467 0.17532 130 2S -0.15255 0.07324 -0.82713 0.52840 0.12686 131 14 H 1S -0.01897 0.04053 0.22322 0.05227 0.14063 132 2S -0.06492 -0.03228 -0.21466 -0.13680 0.13208 133 15 C 1S -0.00392 0.00369 0.00171 -0.00375 -0.04149 134 2S -0.12773 0.34470 0.13196 -0.09354 -1.14871 135 2PX -0.02384 -0.17901 -0.05365 -0.11247 0.16577 136 2PY 0.13733 0.13307 0.08817 0.18255 -0.03895 137 2PZ 0.05040 0.09395 -0.00666 0.01015 -0.02789 138 3S 0.74668 -1.92874 -0.50530 -0.27225 4.90296 139 3PX 0.11208 1.98046 0.95233 3.11627 -0.81116 140 3PY 0.05180 -1.20975 -0.42808 -1.52799 0.55532 141 3PZ -0.23667 -0.65627 -0.04019 -0.46890 0.20386 142 4XX 0.01578 0.02215 -0.01698 -0.01823 -0.04732 143 4YY 0.00691 0.00537 0.02746 -0.02176 -0.13309 144 4ZZ -0.03075 -0.00640 0.00045 0.00617 0.04854 145 4XY 0.02377 0.07134 -0.00835 0.00124 -0.09692 146 4XZ 0.02624 -0.01805 -0.01367 0.00195 0.02780 147 4YZ -0.01666 0.01757 -0.01876 -0.01396 0.00234 148 16 C 1S -0.00765 0.00935 0.00710 0.02019 0.01874 149 2S 0.06100 0.21070 0.00010 0.22491 0.35353 150 2PX -0.14797 -0.04924 0.12124 0.11967 0.06115 151 2PY 0.04357 0.00651 -0.04276 -0.23093 -0.17762 152 2PZ -0.05199 -0.04680 0.00570 -0.00712 0.00308 153 3S -0.42385 -1.28838 -0.50744 -2.61542 -1.30266 154 3PX 0.65684 0.67822 -0.15817 0.68063 0.26860 155 3PY -0.48918 0.39267 0.66238 1.92413 0.88031 156 3PZ 0.34547 0.21311 -0.20238 -0.20701 -0.11928 157 4XX 0.02420 0.05242 0.00041 0.05080 -0.01418 158 4YY -0.06191 0.01179 0.03926 0.01243 0.02962 159 4ZZ 0.01060 -0.04108 -0.02113 -0.02555 0.02804 160 4XY -0.00075 -0.05853 -0.04228 -0.13126 -0.01319 161 4XZ 0.01171 0.02074 0.00060 -0.00050 0.00953 162 4YZ 0.01175 0.02088 -0.00480 0.01435 -0.01167 163 17 O 1S -0.00039 -0.00261 -0.00120 0.00871 0.01093 164 2S 0.08682 -0.11322 -0.14725 -0.13146 0.09351 165 2PX 0.28131 0.13852 -0.07576 0.38121 0.12136 166 2PY 0.04426 0.07373 0.00085 0.05751 -0.03406 167 2PZ 0.57320 0.34546 -0.28606 -0.04621 -0.02056 168 3S 0.05843 0.16202 0.07533 -0.34608 -0.44075 169 3PX -0.53872 -0.27217 0.19399 -0.43593 -0.07946 170 3PY -0.13489 -0.11081 0.01553 -0.20952 0.04170 171 3PZ -0.76411 -0.48978 0.39510 0.05189 0.02283 172 4XX 0.01716 -0.01462 -0.01615 -0.01373 0.04790 173 4YY 0.07779 -0.02465 -0.07528 -0.03233 0.02759 174 4ZZ 0.01558 -0.04947 -0.03949 0.01763 0.03795 175 4XY -0.02159 -0.00491 0.00994 -0.01728 0.00347 176 4XZ -0.01144 -0.01017 0.01324 0.00643 0.00013 177 4YZ -0.01811 -0.02681 0.00360 0.00646 0.00544 178 18 H 1S -0.14375 0.13832 0.21910 0.54809 0.21014 179 2S -0.24377 -0.09067 0.19175 0.51204 0.53905 180 19 H 1S 0.11477 -0.05266 -0.01939 -0.09957 -0.24131 181 2S -0.23970 -0.13989 -0.04885 -0.39363 -0.35184 182 20 H 1S -0.03863 0.09594 -0.11067 -0.16315 0.08857 183 2S -0.24610 0.20783 -0.09737 -0.09343 0.13454 184 21 H 1S -0.16415 0.19364 0.06890 -0.00427 0.13933 185 2S 0.18856 0.11599 0.11382 0.37757 0.20244 186 22 H 1S -0.12574 0.04410 -0.23005 -0.04715 0.06729 187 2S 0.16633 -0.16297 0.07969 -0.29942 0.16548 188 23 H 1S -0.28010 -0.02456 -0.60335 0.22419 0.04501 189 2S 1.17929 -0.72394 2.03695 -0.61168 0.46261 190 24 H 1S 0.19200 -0.10337 0.19383 -0.02145 0.05300 191 2S -0.05983 -0.40681 -0.19772 -0.15550 0.00426 192 25 H 1S -0.02333 0.02647 -0.00660 -0.07262 0.02545 193 2S 0.20918 0.30522 0.28632 -0.14579 0.16201 194 26 H 1S -0.08801 -0.04432 -0.10352 0.01375 -0.00788 195 2S 0.15322 0.04361 0.08970 0.03973 -0.01362 196 27 H 1S -0.12877 0.05614 -0.06729 0.01085 -0.00409 197 2S 0.26419 -0.18189 0.07676 0.03090 0.00058 121 122 123 124 125 V V V V V Eigenvalues -- 1.17206 1.20504 1.22078 1.24743 1.31066 1 1 C 1S 0.07802 -0.00960 0.01191 0.00978 -0.00694 2 2S 1.21366 -0.16352 -0.08973 0.16121 -0.13367 3 2PX 0.16935 -0.04695 -0.21784 0.04409 0.00222 4 2PY -0.08292 -0.00375 -0.05768 0.01076 -0.05680 5 2PZ -0.01222 0.01062 0.02679 -0.01435 0.03643 6 3S -3.37784 0.21361 -2.01037 -0.20533 0.00434 7 3PX -0.25829 -0.06795 -1.05347 0.07027 -0.01782 8 3PY -0.29920 0.10756 0.24464 -0.12345 -0.18775 9 3PZ 0.02661 0.02373 0.20410 -0.02486 -0.01944 10 4XX 0.04968 -0.00916 -0.04905 0.00815 -0.01585 11 4YY 0.05825 -0.01300 -0.03835 0.01419 0.00544 12 4ZZ 0.08737 -0.00605 0.04992 0.00382 -0.00644 13 4XY 0.01839 -0.01982 -0.12880 0.02399 -0.00852 14 4XZ 0.00742 -0.00068 0.02587 0.00305 -0.02525 15 4YZ -0.01688 -0.00438 0.04464 0.01394 -0.08628 16 2 C 1S -0.02774 -0.00174 -0.04880 0.00283 0.01720 17 2S -0.20094 -0.06240 -0.69592 0.08291 0.50238 18 2PX -0.00307 0.00386 0.17793 0.00553 0.24373 19 2PY -0.23829 0.08082 0.42298 -0.08112 -0.03859 20 2PZ 0.00324 0.00547 -0.03469 -0.00873 -0.05643 21 3S 0.12544 0.31603 4.16693 -0.28528 -2.18077 22 3PX -1.88806 0.16438 -0.48168 -0.12114 -1.76888 23 3PY 1.88689 -0.61631 -3.60522 0.54456 0.55572 24 3PZ 0.30584 -0.05681 0.12954 0.06011 0.29109 25 4XX -0.05029 -0.00320 -0.11973 0.00092 0.03736 26 4YY -0.03650 0.00379 0.01698 -0.00361 0.06586 27 4ZZ 0.07457 -0.00772 0.06284 0.01189 -0.06957 28 4XY 0.09185 -0.02203 -0.06052 0.02585 -0.00094 29 4XZ 0.05152 0.01122 0.00697 -0.02759 0.12958 30 4YZ -0.03946 -0.00363 0.03554 0.01412 -0.07529 31 3 C 1S 0.05852 -0.00206 0.04631 -0.00217 0.01681 32 2S 0.89174 -0.01736 1.00659 -0.03154 0.31210 33 2PX 0.09102 -0.00616 0.14662 0.01068 0.06980 34 2PY -0.00423 -0.04721 -0.20997 0.05631 -0.05368 35 2PZ -0.02398 0.00518 -0.03065 -0.01163 0.03409 36 3S -3.44428 0.39860 -1.04917 -0.23696 -0.69287 37 3PX -0.18820 0.08153 0.07029 -0.10024 0.34369 38 3PY 0.64102 -0.06711 -0.34455 0.02577 0.13552 39 3PZ 0.09851 -0.00612 -0.05221 0.00975 -0.11702 40 4XX 0.08480 -0.00951 -0.03507 0.00439 -0.00477 41 4YY -0.02623 0.01476 0.09915 -0.01657 0.06083 42 4ZZ 0.07723 -0.00569 0.07958 0.00453 -0.01822 43 4XY -0.00712 0.01122 0.03018 -0.01855 0.04338 44 4XZ 0.01507 0.00680 0.00684 -0.01385 0.05347 45 4YZ 0.01846 0.00487 -0.02659 -0.01385 0.06772 46 4 H 1S 0.24700 0.00502 0.05299 -0.02942 -0.02225 47 2S 0.50222 -0.12562 0.53643 0.13605 -0.05306 48 5 H 1S 0.20816 0.01233 0.20332 -0.03453 0.11905 49 2S 0.27223 -0.00833 0.32358 -0.00488 0.08997 50 6 H 1S 0.18161 -0.00134 0.23288 -0.01011 0.06611 51 2S 0.24055 0.00039 0.32620 -0.02797 0.21828 52 7 C 1S -0.03527 0.00684 0.01973 -0.01187 -0.02434 53 2S -0.86928 0.10054 0.25591 -0.07052 -0.75157 54 2PX 0.18602 -0.04147 -0.12898 0.07835 -0.02945 55 2PY -0.08800 0.00885 -0.20174 0.00785 -0.14178 56 2PZ -0.04528 0.01479 0.02933 -0.01089 -0.09115 57 3S 3.77517 -0.64941 -2.44088 0.75848 3.00212 58 3PX -1.53574 0.39485 2.85065 -0.21918 -0.74455 59 3PY 1.04225 0.14804 1.54691 -0.25474 0.87324 60 3PZ 0.39721 -0.07919 -0.60868 0.04515 0.24624 61 4XX -0.06215 -0.01819 -0.07935 0.03443 -0.08038 62 4YY -0.11260 0.03516 0.12288 -0.03893 -0.02510 63 4ZZ 0.10688 -0.00936 -0.00475 -0.00178 0.04515 64 4XY -0.01909 0.00545 0.02731 0.00140 -0.04171 65 4XZ -0.00982 -0.02191 0.07702 0.04645 -0.12887 66 4YZ -0.00684 0.00355 -0.00821 -0.00662 0.06498 67 8 C 1S 0.03095 -0.00178 0.01640 0.00994 -0.03383 68 2S 0.52499 -0.05397 -0.06539 0.20549 -0.53539 69 2PX -0.15088 0.04444 0.28104 -0.02771 0.03756 70 2PY 0.00209 0.00783 -0.14338 -0.00839 -0.03084 71 2PZ 0.05769 0.00380 -0.07689 -0.00010 -0.02159 72 3S -1.37723 -0.03368 -1.46119 -0.47677 1.17884 73 3PX 0.58902 0.03307 0.04113 -0.07779 0.30365 74 3PY -0.81818 -0.19887 0.84749 0.44992 0.09912 75 3PZ -0.33477 -0.02979 0.15031 0.03610 0.45982 76 4XX -0.00710 0.01573 0.01632 -0.02707 0.01595 77 4YY 0.07315 -0.01076 -0.02950 0.01958 -0.03202 78 4ZZ 0.01686 -0.01042 0.01910 0.02289 -0.06245 79 4XY -0.01961 -0.01130 -0.14096 -0.00685 -0.05542 80 4XZ 0.04575 0.01729 -0.03491 -0.03893 0.04569 81 4YZ 0.00956 0.02913 -0.01701 -0.05810 0.12602 82 9 C 1S 0.00287 0.00976 -0.00476 -0.03877 -0.00179 83 2S 0.10073 0.22435 -0.08998 -0.18817 -0.18877 84 2PX -0.05233 0.07118 0.02429 0.07888 -0.10612 85 2PY -0.09310 -0.04837 0.09087 0.07673 -0.02054 86 2PZ -0.00366 0.00327 0.00103 -0.00219 0.08164 87 3S -0.12225 -0.80884 0.49633 2.60121 0.53245 88 3PX -0.17162 -0.28340 0.13518 1.04085 1.30832 89 3PY 0.87939 0.35715 -0.61040 -0.40658 -0.65555 90 3PZ 0.09662 0.09032 -0.25358 -0.36619 0.07855 91 4XX 0.00020 -0.02446 0.00341 0.05675 -0.02242 92 4YY 0.03092 0.02599 -0.04904 -0.04459 -0.05783 93 4ZZ -0.01462 0.02277 0.04153 -0.03063 0.08012 94 4XY 0.00109 -0.00174 0.02739 0.07671 0.03974 95 4XZ 0.04852 0.01120 0.01837 -0.02076 -0.11427 96 4YZ 0.01378 -0.01433 0.04086 -0.01232 -0.09950 97 10 C 1S -0.00369 -0.02553 0.00094 0.03837 0.04530 98 2S -0.03805 -0.55685 -0.04052 0.51575 0.91179 99 2PX -0.04254 -0.08929 0.11281 -0.15092 -0.03079 100 2PY 0.02688 0.05064 -0.09406 -0.25403 -0.20695 101 2PZ 0.01565 0.04282 0.00987 0.03908 -0.04583 102 3S 0.19288 1.97697 -0.01485 -2.08654 -4.45146 103 3PX 0.34042 0.27304 -0.17623 1.92200 -1.06294 104 3PY -0.58092 -0.35447 0.77556 1.70069 2.29612 105 3PZ -0.10811 -0.19846 0.01181 -0.40210 0.19241 106 4XX -0.01739 -0.05481 -0.00695 0.09626 0.11376 107 4YY -0.00785 -0.04307 -0.01210 0.00034 0.02838 108 4ZZ 0.02372 0.05073 0.00636 -0.08247 -0.09559 109 4XY -0.00675 -0.02450 -0.02329 -0.04395 0.02993 110 4XZ -0.03851 0.01624 -0.01294 -0.00913 0.17130 111 4YZ 0.02215 0.01357 -0.00354 -0.03078 -0.10529 112 11 C 1S -0.00061 0.00540 -0.00368 -0.06492 0.02117 113 2S -0.01115 -0.08135 -0.06795 -1.28369 0.35002 114 2PX -0.04877 -0.13030 0.11534 -0.08098 -0.02528 115 2PY -0.07291 -0.19057 0.07693 0.19409 -0.02465 116 2PZ 0.00552 -0.09967 -0.00620 -0.01434 -0.00820 117 3S 0.38264 0.44104 -0.35681 2.40234 -1.23240 118 3PX 0.07291 0.41672 -0.17276 -0.01196 0.39708 119 3PY 0.00362 0.65928 0.09705 0.17178 0.13809 120 3PZ 0.02402 0.31835 0.00235 0.08551 0.05078 121 4XX -0.00250 0.05758 0.00379 -0.01307 0.02828 122 4YY 0.00316 -0.02682 -0.02674 -0.06803 0.04268 123 4ZZ 0.00757 -0.03907 0.00859 -0.10091 -0.01778 124 4XY -0.00296 -0.00535 0.02240 -0.02724 -0.01017 125 4XZ -0.01921 0.03462 0.00068 0.04447 0.04758 126 4YZ -0.01009 -0.00103 0.01366 0.03501 0.02476 127 12 H 1S 0.00362 0.40842 -0.05406 -0.04536 -0.00561 128 2S -0.12724 -1.27499 0.18039 -0.90214 -0.02565 129 13 H 1S 0.03010 0.04133 -0.05565 -0.25908 0.11652 130 2S -0.05571 0.06158 0.02889 -0.39613 0.20903 131 14 H 1S 0.02412 0.03073 -0.01960 -0.25564 0.04550 132 2S -0.08436 -0.23633 -0.04811 -0.48175 0.23308 133 15 C 1S 0.00479 0.00243 -0.00231 -0.01483 -0.03661 134 2S 0.03016 -0.01069 -0.01074 -0.04568 -0.81424 135 2PX 0.05074 -0.01849 -0.01930 0.01304 -0.10218 136 2PY 0.00379 0.03862 0.02310 0.28252 -0.16729 137 2PZ -0.01813 0.00091 -0.01048 -0.03384 0.00374 138 3S -0.64140 0.07529 0.54431 1.36225 4.79743 139 3PX -0.01141 0.78822 -0.10173 -0.65197 -0.72749 140 3PY -0.09726 0.10530 -0.28368 -2.24248 1.79353 141 3PZ 0.05362 -0.08194 0.06362 0.22315 0.09067 142 4XX -0.00422 0.00465 0.01504 0.07367 -0.08238 143 4YY 0.00511 -0.03549 -0.00902 -0.07522 -0.03063 144 4ZZ -0.00659 0.02192 -0.00343 -0.03115 0.06190 145 4XY 0.00341 0.02488 -0.02307 -0.04924 -0.05883 146 4XZ 0.02349 0.01099 0.00410 -0.07116 -0.16402 147 4YZ -0.02434 -0.02213 0.00354 0.02311 0.11011 148 16 C 1S -0.00228 0.01638 0.00063 0.00612 0.01902 149 2S -0.03917 0.15685 0.03789 0.35724 0.29043 150 2PX -0.01991 -0.18003 0.01661 -0.15648 -0.00455 151 2PY 0.02486 0.07587 -0.02685 0.10088 -0.02667 152 2PZ 0.00636 0.02547 0.00141 0.02573 0.00469 153 3S 0.30883 0.07376 -0.20162 -0.14645 -0.87992 154 3PX -0.01391 1.62066 -0.10366 0.47416 0.85865 155 3PY -0.11621 -0.24468 0.29163 0.64291 -0.27184 156 3PZ -0.03367 -0.33293 -0.01032 -0.14923 -0.09111 157 4XX 0.00004 0.05922 -0.00106 0.09099 -0.00355 158 4YY -0.00838 -0.03567 0.00680 0.01504 0.04620 159 4ZZ 0.00903 0.01172 -0.00252 -0.08581 -0.03975 160 4XY 0.01604 0.14066 -0.02351 0.00707 0.05524 161 4XZ -0.01843 -0.01621 -0.00802 0.00973 0.14957 162 4YZ -0.00613 -0.02939 0.00286 0.00740 0.02662 163 17 O 1S 0.00032 0.00912 0.00112 0.00388 0.01114 164 2S 0.01456 0.11600 -0.03821 -0.16467 0.29206 165 2PX 0.01198 0.48677 0.01330 0.19530 -0.01942 166 2PY -0.03603 -0.54389 0.05972 0.00663 -0.13648 167 2PZ -0.02313 -0.14694 -0.00029 -0.10290 0.01023 168 3S -0.03472 -0.58088 -0.00609 -0.08617 -0.51105 169 3PX -0.02635 -0.93976 0.02336 -0.33068 -0.03038 170 3PY 0.09041 1.23444 -0.12517 0.20697 0.34347 171 3PZ 0.04696 0.25318 -0.00169 0.13984 -0.07458 172 4XX -0.00690 -0.08606 0.00032 -0.04400 0.11194 173 4YY 0.00784 0.09944 -0.01635 -0.02233 0.10784 174 4ZZ 0.00487 0.03289 0.00232 -0.05417 -0.00250 175 4XY -0.00033 -0.02993 0.00245 -0.00438 -0.00457 176 4XZ 0.00308 0.04999 -0.00354 0.01492 -0.02013 177 4YZ 0.00716 -0.00436 0.00572 -0.02690 -0.07355 178 18 H 1S -0.04884 -0.21251 0.09497 0.19395 -0.12217 179 2S -0.06408 -0.50067 0.12932 -0.03017 -0.03976 180 19 H 1S 0.07398 0.14133 -0.12254 -0.61706 0.00125 181 2S -0.04245 0.11901 -0.14084 -1.08015 0.16489 182 20 H 1S -0.09063 -0.02489 0.06531 -0.05692 0.06350 183 2S -0.10655 0.03522 0.06523 0.19902 0.06467 184 21 H 1S 0.17334 0.11506 -0.10986 -0.32190 -0.14694 185 2S 0.41066 0.27955 -0.26094 -0.30328 -0.27667 186 22 H 1S -0.02270 -0.01267 0.10712 0.07744 -0.04409 187 2S -0.04031 -0.08460 0.27063 0.19613 -0.04478 188 23 H 1S 0.33075 0.01892 0.09798 -0.04258 -0.17458 189 2S 0.43787 0.16401 -0.48708 -0.17173 -0.11894 190 24 H 1S 0.03917 0.11921 0.51563 -0.16350 -0.06937 191 2S 0.01198 0.03794 0.83085 -0.06756 0.04138 192 25 H 1S 0.23934 -0.01030 0.24580 0.01085 -0.04519 193 2S 0.51247 0.01459 0.36071 -0.03029 -0.10412 194 26 H 1S 0.30166 -0.05326 -0.00000 0.05971 -0.04980 195 2S 0.43575 -0.06392 -0.18780 0.05929 0.01077 196 27 H 1S 0.32609 -0.04348 -0.02547 0.04149 0.00344 197 2S 0.37481 -0.06740 -0.14582 0.07378 -0.08075 126 127 128 129 130 V V V V V Eigenvalues -- 1.31829 1.35263 1.36759 1.40376 1.43257 1 1 C 1S 0.00081 -0.00174 -0.01592 -0.03748 0.02212 2 2S 0.02821 -0.12909 -0.23249 -0.61620 0.31419 3 2PX 0.00159 -0.04277 -0.02278 -0.05996 0.03156 4 2PY -0.00351 0.03682 -0.02183 -0.06148 0.04593 5 2PZ -0.01277 0.01785 0.04613 0.02401 0.08162 6 3S -0.11602 0.20735 0.54065 1.53652 -0.89538 7 3PX -0.01154 -0.05722 0.08505 0.31920 -0.17182 8 3PY -0.02128 -0.01060 0.06393 0.04276 -0.09795 9 3PZ 0.01127 -0.07624 -0.04204 -0.02011 0.11360 10 4XX -0.00532 0.02729 -0.02619 -0.02845 -0.05168 11 4YY 0.00128 -0.01265 -0.00755 -0.00874 0.00206 12 4ZZ 0.00572 -0.02447 0.00555 -0.02510 0.08189 13 4XY 0.00876 -0.01410 -0.02484 0.02206 -0.10800 14 4XZ 0.00935 0.01085 -0.04867 -0.04348 -0.21832 15 4YZ 0.02872 0.03785 -0.15745 -0.07842 -0.42718 16 2 C 1S 0.00034 0.00160 0.01050 0.03679 -0.01542 17 2S 0.06874 -0.15366 0.18791 0.63590 -0.27131 18 2PX 0.06267 -0.18418 0.02957 0.08599 -0.05306 19 2PY -0.00874 0.09901 0.00630 -0.01481 0.02984 20 2PZ -0.00670 -0.00793 -0.05571 -0.00812 -0.03977 21 3S 0.28206 -0.83126 -0.94653 -3.65952 1.33864 22 3PX -0.02371 0.01813 -0.29032 -1.29395 0.42837 23 3PY -0.04074 -0.66249 -0.09054 0.29828 -0.37043 24 3PZ 0.01873 0.06379 0.13174 0.22251 0.06636 25 4XX -0.01843 -0.01363 0.08534 0.03168 0.13179 26 4YY 0.01265 -0.01026 0.02432 0.05731 -0.02311 27 4ZZ 0.01856 0.00126 -0.10364 -0.06102 -0.11864 28 4XY 0.00624 0.00287 -0.03198 0.04686 0.03877 29 4XZ -0.05352 0.01086 0.25649 0.03579 0.41220 30 4YZ 0.05357 -0.11282 -0.15065 0.08189 0.23357 31 3 C 1S 0.00273 -0.00554 -0.00188 0.00630 -0.00775 32 2S 0.06178 -0.01301 -0.03620 0.20053 -0.11842 33 2PX 0.02047 -0.02027 -0.01714 -0.02780 0.02765 34 2PY 0.01985 0.00623 -0.05440 -0.09028 0.05933 35 2PZ -0.00883 -0.01284 0.05949 0.00493 -0.01824 36 3S -0.19065 0.36325 0.37543 -0.02027 0.19089 37 3PX -0.03991 -0.06494 0.22181 0.46311 -0.29310 38 3PY -0.04439 -0.39630 0.02506 -0.11253 -0.12778 39 3PZ -0.03669 0.13358 -0.08864 -0.14587 -0.14458 40 4XX -0.01261 0.00310 0.03026 -0.01369 -0.01942 41 4YY 0.00754 -0.01044 0.02198 0.05610 -0.02477 42 4ZZ 0.00943 0.01038 -0.04943 -0.01134 0.02527 43 4XY -0.01138 -0.00112 0.03073 -0.00875 -0.03130 44 4XZ -0.02674 0.03932 0.08808 -0.02630 -0.02473 45 4YZ -0.04476 0.07646 0.15044 -0.06589 -0.17158 46 4 H 1S -0.02255 -0.08719 0.00624 -0.08709 -0.01567 47 2S 0.13719 0.38358 -0.29472 -0.08361 0.22087 48 5 H 1S -0.00881 -0.00656 0.04672 0.03287 -0.10834 49 2S 0.01900 0.06901 -0.04487 0.13531 -0.15443 50 6 H 1S 0.02825 -0.05804 -0.03824 0.06822 0.02138 51 2S 0.03062 -0.05003 0.08416 0.19263 -0.00573 52 7 C 1S -0.00843 0.02017 -0.00727 -0.03667 0.01985 53 2S -0.19911 0.38270 -0.17066 -0.80034 0.42739 54 2PX -0.05460 0.05122 -0.02217 -0.04894 0.03875 55 2PY 0.00470 -0.11868 -0.05219 -0.17419 0.05163 56 2PZ -0.00595 0.09180 -0.02668 -0.03507 -0.03576 57 3S 0.58107 -0.99093 1.00667 3.83613 -1.78850 58 3PX 0.58143 -0.66569 0.11422 -0.40386 -0.02096 59 3PY -0.37675 1.68826 0.52464 1.83790 -0.42487 60 3PZ -0.08315 0.07213 -0.15755 0.15795 -0.13989 61 4XX 0.03070 -0.01971 -0.08941 -0.02138 -0.00298 62 4YY -0.03981 0.09000 0.01316 -0.00281 0.01974 63 4ZZ -0.01170 -0.01197 0.06564 -0.01371 0.00774 64 4XY -0.00524 0.01847 0.03081 -0.03616 0.08777 65 4XZ 0.09863 -0.13913 -0.25875 0.06866 -0.05614 66 4YZ 0.00344 -0.08220 0.12747 0.10075 0.30438 67 8 C 1S 0.00174 -0.02486 0.02016 -0.02067 -0.01276 68 2S -0.13152 -0.53986 0.35075 -0.32171 -0.20413 69 2PX -0.06818 -0.23573 0.07202 -0.14030 0.00288 70 2PY -0.11456 0.13394 0.00687 0.06755 -0.00693 71 2PZ -0.06476 0.09421 0.06459 -0.02587 0.02064 72 3S -0.06907 0.91828 -1.13895 0.18345 0.84452 73 3PX 0.05103 0.85300 0.29851 1.60329 -0.32926 74 3PY 0.91671 -1.47944 -0.09517 -0.60457 0.14771 75 3PZ 0.17751 -1.13313 0.13799 -0.12889 -0.18229 76 4XX -0.02037 -0.02147 0.09037 -0.09680 -0.03462 77 4YY -0.03962 0.14123 0.00054 0.01872 -0.01331 78 4ZZ 0.05525 -0.19590 -0.05779 0.03348 0.03525 79 4XY -0.01134 0.08730 -0.00918 -0.05858 0.03044 80 4XZ -0.08793 0.07661 0.10211 -0.07799 -0.06057 81 4YZ -0.05573 0.04371 0.21553 -0.17428 -0.07129 82 9 C 1S -0.03891 -0.05034 0.02365 0.03041 -0.00399 83 2S -0.56533 -0.86613 0.43971 0.40936 -0.15792 84 2PX -0.21186 0.25244 0.14780 0.07972 0.04410 85 2PY 0.03085 -0.15273 0.02338 -0.16396 0.09501 86 2PZ 0.01374 -0.03163 -0.02282 -0.09833 0.01710 87 3S 1.69935 2.34622 -0.75604 -0.32487 -0.27653 88 3PX 1.00453 -0.83443 -0.42654 0.65846 -0.61232 89 3PY -0.48916 1.62103 -0.28849 0.86333 -0.23785 90 3PZ -0.24622 0.90223 0.06781 0.47443 -0.03859 91 4XX 0.01615 -0.02150 -0.05357 0.09131 0.05706 92 4YY -0.07211 0.05184 -0.03173 0.08591 -0.00637 93 4ZZ -0.01326 -0.14076 0.14397 -0.12683 -0.06739 94 4XY 0.01027 0.07914 0.00194 0.15297 -0.02224 95 4XZ -0.01368 -0.04740 -0.11989 0.15611 0.02365 96 4YZ 0.07018 -0.11637 -0.15475 0.20874 0.09727 97 10 C 1S 0.03930 0.03362 -0.02875 -0.00339 0.00949 98 2S 0.59687 0.48890 -0.42102 0.06942 0.05567 99 2PX 0.03210 -0.11437 -0.03952 -0.23737 0.09716 100 2PY -0.03845 0.13776 -0.10217 -0.13866 0.10951 101 2PZ 0.04440 -0.04821 0.00413 -0.03840 -0.02308 102 3S -3.35206 -1.67377 2.39654 0.86121 -0.46694 103 3PX -0.62651 1.03432 0.67734 2.07662 -0.91969 104 3PY 0.66650 -1.69203 0.87022 1.59409 -1.31331 105 3PZ 0.13249 -0.18228 0.03930 -0.22782 0.20465 106 4XX -0.01049 0.07754 0.02941 0.00089 -0.03317 107 4YY 0.06294 0.04219 -0.05703 -0.05587 0.02901 108 4ZZ -0.03184 -0.07232 0.01096 0.06829 0.00715 109 4XY 0.08002 0.05081 0.00922 0.02054 0.01440 110 4XZ -0.10852 -0.04825 0.11639 -0.24128 -0.10772 111 4YZ 0.30728 0.05381 0.20360 -0.02470 -0.00826 112 11 C 1S -0.00208 -0.02342 0.00789 0.04524 -0.03178 113 2S -0.01956 -0.16469 0.00092 0.57247 -0.37169 114 2PX -0.06102 -0.20206 0.02460 -0.14160 0.04948 115 2PY -0.06624 -0.06971 0.11299 0.00561 -0.01861 116 2PZ -0.09222 -0.02063 0.01575 0.03727 -0.02307 117 3S 0.42372 1.67974 -1.07550 -2.56044 1.81073 118 3PX 0.30652 0.11227 -0.16471 0.02176 -0.09199 119 3PY -0.09920 -0.65272 0.42469 0.75196 -0.54410 120 3PZ 0.03586 0.14669 -0.33787 -0.06459 0.07227 121 4XX 0.04620 0.01218 0.03193 0.02733 -0.02727 122 4YY 0.04775 0.08058 -0.06848 0.00733 0.01596 123 4ZZ -0.08620 -0.11028 0.02989 0.02591 -0.03023 124 4XY -0.04251 -0.10221 -0.03280 -0.13429 0.03813 125 4XZ -0.16882 -0.06255 -0.08670 0.03828 -0.01460 126 4YZ -0.19724 -0.07020 -0.13678 0.04484 -0.00003 127 12 H 1S 0.01852 -0.04876 0.07890 0.19814 -0.10864 128 2S -0.34951 -0.24324 0.15564 0.20374 -0.09445 129 13 H 1S -0.08172 -0.10369 -0.05934 0.21254 -0.12086 130 2S 0.14817 0.19006 -0.21769 0.01998 -0.02746 131 14 H 1S 0.04946 -0.11148 0.06158 0.12663 -0.11697 132 2S -0.00824 -0.00911 0.12225 0.18961 -0.14338 133 15 C 1S -0.02725 -0.00163 0.01647 0.00828 -0.00536 134 2S -0.57824 -0.06185 0.41697 0.25006 -0.12711 135 2PX -0.17377 0.14421 0.12148 0.17970 -0.05216 136 2PY -0.11944 -0.00782 0.13736 0.10299 -0.03690 137 2PZ 0.04425 0.00465 -0.04540 0.02876 0.03619 138 3S 3.37995 -0.96860 -1.79892 -1.43648 0.43473 139 3PX 0.62541 -0.31387 -0.95410 -1.68808 0.82573 140 3PY 1.51413 -0.20779 -1.53747 -1.87867 0.78258 141 3PZ -0.09947 0.00307 0.12828 0.20055 -0.14822 142 4XX 0.10390 0.01509 0.09016 0.02512 -0.02226 143 4YY 0.02724 -0.02174 -0.03233 -0.06367 0.02460 144 4ZZ -0.16436 -0.02898 -0.03686 0.03081 -0.00724 145 4XY -0.03095 0.01187 0.02446 -0.04251 -0.01090 146 4XZ 0.33750 0.01053 0.20140 0.06521 -0.03943 147 4YZ -0.02942 -0.03349 0.11676 -0.12939 -0.12922 148 16 C 1S 0.01747 -0.00428 -0.01409 -0.01265 0.00466 149 2S 0.26497 -0.03083 -0.12334 -0.01551 0.00354 150 2PX 0.00347 -0.03006 -0.03482 -0.10221 0.04531 151 2PY -0.00266 0.06430 0.01180 0.02121 -0.00402 152 2PZ -0.00354 -0.00130 -0.00359 0.01824 0.00480 153 3S -1.61649 0.54069 1.13571 1.50874 -0.63701 154 3PX 1.08885 -0.12664 -0.89940 -0.85871 0.37854 155 3PY -0.41130 -0.20512 0.35748 0.35994 -0.11440 156 3PZ -0.29945 0.04348 0.13040 0.17691 -0.08196 157 4XX -0.11515 0.01329 -0.04662 0.00409 0.02085 158 4YY 0.03718 -0.00931 -0.02711 -0.02126 0.00207 159 4ZZ 0.06839 -0.01590 0.08394 0.03747 -0.03367 160 4XY -0.02026 0.01964 -0.01511 0.00961 -0.01229 161 4XZ -0.31137 -0.01046 -0.21303 -0.02489 0.08328 162 4YZ -0.05535 -0.01004 0.01888 -0.04869 -0.05587 163 17 O 1S -0.00206 -0.00025 -0.00328 0.00205 0.00019 164 2S 0.05895 0.02189 -0.15914 -0.06119 0.04444 165 2PX 0.01694 -0.04890 0.01076 0.01502 -0.00918 166 2PY -0.11224 0.02036 0.12550 0.10568 -0.04147 167 2PZ -0.01486 0.00142 0.01064 0.02855 -0.01096 168 3S 0.12037 -0.01319 0.15986 -0.11457 -0.01452 169 3PX -0.16527 0.07356 0.09603 0.10312 -0.02889 170 3PY 0.23210 0.02346 -0.25311 -0.14363 0.07029 171 3PZ 0.17757 -0.00253 0.01972 -0.05027 0.03009 172 4XX 0.04967 0.01063 -0.08169 -0.05316 0.04138 173 4YY 0.06181 0.01094 -0.07248 -0.04687 0.02578 174 4ZZ -0.09361 -0.01695 0.04865 0.06739 -0.03980 175 4XY 0.01617 0.00284 0.02420 0.02720 -0.01060 176 4XZ -0.04055 -0.00030 -0.00799 0.02719 0.03052 177 4YZ 0.12853 -0.00322 0.09087 0.02933 -0.02088 178 18 H 1S -0.09760 -0.02859 0.12337 0.08164 -0.02673 179 2S -0.18870 -0.12867 0.18251 0.18068 -0.07832 180 19 H 1S 0.10299 -0.05129 -0.21841 -0.33403 0.14068 181 2S 0.22975 0.02444 -0.44781 -0.69466 0.30803 182 20 H 1S -0.01315 -0.52669 0.08577 0.08440 -0.01725 183 2S -0.00434 -0.87619 0.01237 -0.17782 -0.01485 184 21 H 1S -0.22223 0.08121 -0.01747 0.25518 -0.02222 185 2S -0.30356 0.05825 0.03313 0.42308 -0.12556 186 22 H 1S 0.07237 -0.40318 0.16798 -0.22245 -0.06966 187 2S 0.11120 -0.76149 0.07204 -0.37986 -0.12807 188 23 H 1S -0.14496 0.34121 0.07651 -0.03237 -0.02386 189 2S -0.43735 -0.08598 0.38141 0.20053 -0.31968 190 24 H 1S -0.14318 0.43225 0.03328 0.07820 0.05354 191 2S -0.15461 0.80066 0.06850 0.30720 0.03679 192 25 H 1S -0.00284 0.03883 -0.05400 -0.14174 0.08659 193 2S 0.02800 -0.14446 -0.04095 -0.22929 0.06074 194 26 H 1S 0.01820 -0.00096 -0.09512 -0.15315 -0.03047 195 2S -0.01258 -0.00854 -0.01719 -0.17397 0.09955 196 27 H 1S -0.00219 -0.02653 -0.02580 -0.11040 0.18630 197 2S 0.02632 -0.08126 -0.10810 -0.15628 0.08027 131 132 133 134 135 V V V V V Eigenvalues -- 1.45339 1.46826 1.48302 1.53411 1.53779 1 1 C 1S -0.03226 0.06392 -0.01681 0.00105 0.06282 2 2S -0.51327 0.97245 -0.30027 0.00693 0.76779 3 2PX -0.07406 0.06599 -0.03585 -0.01342 -0.16032 4 2PY -0.03880 0.11051 -0.02482 0.00764 0.22194 5 2PZ -0.01847 -0.04881 0.01112 -0.00341 0.03865 6 3S 1.35831 -2.87945 0.82489 -0.09544 -3.80570 7 3PX 0.23936 -0.55614 0.15598 -0.02275 -0.63542 8 3PY 0.21074 -0.44708 0.10212 -0.00516 -0.83978 9 3PZ -0.13291 0.03753 -0.05081 -0.00567 0.12355 10 4XX 0.00599 0.08663 -0.01050 0.00845 0.15853 11 4YY -0.01884 0.01059 -0.00619 -0.00571 -0.08041 12 4ZZ -0.03600 -0.00698 -0.00780 -0.00174 -0.00645 13 4XY 0.04677 -0.05561 0.01663 -0.00544 -0.16423 14 4XZ 0.08911 0.07104 -0.00870 0.01081 -0.04513 15 4YZ 0.10377 0.11012 -0.03243 0.00977 0.03272 16 2 C 1S 0.01911 -0.03178 0.01200 0.00126 0.02873 17 2S 0.30221 -0.42644 0.14733 0.01010 0.52234 18 2PX -0.01025 0.06472 -0.04271 -0.00157 0.19007 19 2PY 0.01098 0.02495 0.00290 0.01532 0.25480 20 2PZ -0.03931 -0.05022 -0.01229 -0.00632 -0.01788 21 3S -1.36751 2.65743 -1.13917 0.01520 -2.43186 22 3PX 0.02946 0.06620 -0.09556 0.01190 -2.32844 23 3PY -0.25619 -0.57591 0.00932 -0.25638 -4.27752 24 3PZ 0.15045 0.15706 0.09205 0.03509 0.35088 25 4XX 0.02591 -0.00584 0.03635 0.00763 -0.06091 26 4YY 0.02164 -0.01237 -0.00318 0.00023 0.08962 27 4ZZ -0.03414 0.00914 -0.02851 -0.00532 -0.01155 28 4XY -0.04389 -0.08861 0.01758 -0.00959 -0.00085 29 4XZ 0.03682 0.06765 0.05632 0.02560 -0.03888 30 4YZ -0.32351 -0.28538 -0.05424 -0.04522 0.05603 31 3 C 1S 0.00089 -0.02252 0.00111 -0.00565 -0.11089 32 2S 0.07770 -0.37795 0.06841 -0.07201 -1.40729 33 2PX -0.04085 0.14754 -0.03750 0.00317 0.18008 34 2PY -0.05718 0.12497 -0.03524 -0.00466 0.00600 35 2PZ 0.08707 0.07404 0.01560 0.01490 -0.05686 36 3S 0.22365 0.69944 0.02009 0.33019 6.14724 37 3PX 0.22267 -0.47775 0.13109 0.01133 0.17266 38 3PY -0.16881 -0.12066 -0.08147 -0.07515 -1.68212 39 3PZ -0.05991 -0.02826 -0.03323 -0.02457 0.01428 40 4XX 0.05674 -0.02685 0.02722 0.00790 -0.20128 41 4YY 0.01428 -0.01870 -0.00336 0.00091 0.10276 42 4ZZ -0.05379 -0.01132 -0.01059 -0.01292 -0.00901 43 4XY 0.02437 0.12082 -0.01645 0.01096 0.15234 44 4XZ 0.12153 0.14409 0.02270 0.02923 0.00849 45 4YZ 0.32114 0.29419 0.05921 0.06794 -0.10228 46 4 H 1S -0.05514 -0.01059 -0.03510 -0.01572 -0.41899 47 2S -0.01857 0.15790 0.02199 -0.04776 -0.35190 48 5 H 1S 0.08443 -0.02995 0.01252 -0.01169 -0.39486 49 2S 0.04469 -0.32133 0.05596 -0.03619 -0.43094 50 6 H 1S -0.06213 -0.16118 -0.00378 -0.03062 -0.37595 51 2S 0.12588 -0.14071 0.06437 -0.00617 -0.48538 52 7 C 1S -0.01822 0.02949 -0.00861 -0.00198 -0.03449 53 2S -0.23065 0.48118 -0.05028 -0.00931 -0.73033 54 2PX -0.03215 0.06933 0.03017 -0.01753 -0.11108 55 2PY -0.07004 0.12584 -0.05294 0.00546 -0.12839 56 2PZ 0.00460 -0.05073 0.00291 -0.01431 0.01814 57 3S 1.63511 -2.68138 0.83450 0.02297 2.95517 58 3PX 0.75576 -0.27905 -0.07003 0.23753 1.98197 59 3PY 0.74737 -1.28240 0.74608 0.07425 3.09922 60 3PZ -0.35830 -0.15487 -0.06810 -0.05944 -0.28886 61 4XX -0.05677 -0.00585 -0.02458 0.00719 -0.07474 62 4YY 0.00045 0.01523 0.01324 -0.00662 0.03450 63 4ZZ 0.05265 0.00222 0.02155 -0.00202 0.02909 64 4XY 0.00875 0.06627 -0.00216 0.01412 -0.02886 65 4XZ -0.10862 -0.06101 -0.02792 0.03604 0.00973 66 4YZ 0.07309 0.13738 0.04796 0.08736 -0.08541 67 8 C 1S 0.04230 -0.05871 0.01765 0.00895 0.04008 68 2S 0.56589 -0.89398 0.20134 0.12354 0.37148 69 2PX -0.02953 0.03612 -0.07413 0.02183 0.11946 70 2PY -0.03668 -0.04519 0.05389 0.00158 0.05059 71 2PZ 0.02268 -0.10262 0.00475 -0.00462 -0.00437 72 3S -2.12482 3.01577 -0.82881 -0.43920 -3.16381 73 3PX 0.86307 -0.83971 0.57275 0.00145 1.51581 74 3PY 0.41743 0.60196 -0.31131 0.01115 -0.21223 75 3PZ -0.03704 0.54682 -0.25145 -0.03719 -0.15711 76 4XX -0.01364 -0.02168 -0.06183 -0.02969 0.02513 77 4YY 0.00286 -0.08374 0.03483 -0.01166 -0.01141 78 4ZZ 0.06355 0.03798 0.03594 0.05804 -0.00192 79 4XY -0.05126 0.01778 -0.01457 -0.00803 -0.11910 80 4XZ -0.01427 -0.09891 0.01084 -0.06883 0.05342 81 4YZ -0.05275 -0.06208 -0.09317 -0.06836 0.02862 82 9 C 1S 0.02869 -0.00898 0.00797 -0.00782 0.02909 83 2S 0.32393 -0.24019 0.00453 -0.06289 0.34669 84 2PX -0.05780 0.12199 0.00420 -0.03150 -0.07486 85 2PY 0.15986 0.02367 0.02603 -0.00314 -0.00593 86 2PZ -0.00248 0.01270 -0.04758 -0.02661 -0.02713 87 3S -1.71049 0.63239 -0.72546 0.31208 -0.97542 88 3PX -0.79816 0.49658 -0.63046 0.09793 -0.01492 89 3PY -0.38347 -0.79621 0.27878 0.08956 0.39438 90 3PZ -0.17589 -0.10325 0.15318 0.06813 0.12814 91 4XX 0.10933 0.04487 0.08561 0.01927 0.02554 92 4YY -0.01170 -0.01382 0.02202 -0.00075 -0.01131 93 4ZZ -0.05935 -0.05295 -0.10472 -0.02594 0.02809 94 4XY -0.06385 0.06364 -0.03326 0.02596 0.00583 95 4XZ 0.08359 0.05334 0.13627 0.01873 0.03418 96 4YZ 0.15957 0.15746 0.09311 0.06650 -0.01082 97 10 C 1S 0.01567 -0.00840 0.01556 -0.00161 0.00899 98 2S 0.19038 -0.13416 0.24247 -0.08571 0.17494 99 2PX 0.12813 -0.06249 0.09512 0.02712 0.01421 100 2PY 0.15424 -0.13927 0.11947 0.00769 0.04418 101 2PZ -0.05302 -0.00663 -0.05480 0.04940 -0.02696 102 3S -0.93492 0.75659 -0.94664 0.10424 -0.53680 103 3PX -1.59283 0.53911 -0.96760 0.06202 -0.18615 104 3PY -2.13280 2.05664 -1.76080 0.08300 -0.80999 105 3PZ 0.48738 -0.01728 0.33557 -0.27574 0.11487 106 4XX -0.07351 -0.02673 -0.01795 -0.01727 0.01390 107 4YY 0.04480 -0.03589 0.04040 -0.00427 -0.00225 108 4ZZ 0.03078 0.05906 -0.01848 0.01450 -0.01266 109 4XY 0.02626 -0.00589 -0.04878 0.02094 0.00074 110 4XZ -0.21676 -0.11423 -0.02671 -0.08109 -0.01621 111 4YZ 0.03470 -0.09591 -0.31847 0.18344 0.00857 112 11 C 1S -0.05866 0.04264 -0.03811 0.00468 -0.01935 113 2S -0.74687 0.52283 -0.48539 0.07075 -0.23556 114 2PX 0.09407 -0.01658 0.01759 -0.00873 -0.00282 115 2PY -0.02719 0.04928 -0.06856 -0.01842 -0.02997 116 2PZ -0.03798 0.02494 0.10542 -0.03602 0.00965 117 3S 3.35764 -2.66901 2.53291 -0.21816 1.20312 118 3PX -0.15474 0.04280 0.09111 0.02955 0.00379 119 3PY -0.90133 0.72253 -0.65827 0.10223 -0.30617 120 3PZ 0.00407 -0.03095 -0.08616 0.10046 -0.06304 121 4XX -0.05812 0.01224 -0.08111 0.02624 -0.01134 122 4YY 0.01651 -0.02207 0.03177 -0.00585 0.01023 123 4ZZ -0.02956 0.05041 0.01196 -0.01421 -0.00858 124 4XY 0.07473 -0.02240 0.14084 -0.02452 0.00530 125 4XZ -0.05309 0.08395 0.18872 -0.12551 -0.01305 126 4YZ -0.04083 0.11233 0.29955 -0.15693 -0.01803 127 12 H 1S -0.22244 0.18269 -0.14174 0.02629 -0.09639 128 2S -0.16644 0.18857 -0.33882 -0.02175 -0.07532 129 13 H 1S -0.21231 0.16582 -0.01578 0.00529 -0.04929 130 2S -0.26267 0.16921 -0.26098 0.04579 -0.18518 131 14 H 1S -0.18437 0.11133 -0.18223 0.02742 -0.05986 132 2S -0.28480 0.21818 -0.05370 -0.03345 -0.05704 133 15 C 1S -0.00904 0.00084 -0.00769 -0.00067 -0.00163 134 2S -0.20677 0.10489 -0.20902 -0.01627 -0.05316 135 2PX -0.06395 -0.02203 -0.04493 0.01552 0.02331 136 2PY -0.03539 0.01346 -0.04383 -0.01428 0.00865 137 2PZ 0.06297 0.02087 -0.07279 0.05544 -0.00541 138 3S 0.77365 0.27275 0.59298 -0.00240 -0.00878 139 3PX 1.20161 -0.73330 0.88363 0.02046 0.18015 140 3PY 1.21439 -0.55856 0.81282 0.00722 0.07839 141 3PZ -0.23042 0.06282 -0.29857 0.11374 -0.05663 142 4XX -0.03351 0.01207 0.02694 -0.01901 -0.00493 143 4YY 0.03131 -0.01259 0.02717 0.01701 -0.00526 144 4ZZ -0.00942 0.01572 -0.06466 -0.00162 0.00031 145 4XY -0.04105 -0.02385 0.07918 -0.01756 -0.00831 146 4XZ -0.05102 0.05082 0.14489 -0.05130 0.01379 147 4YZ -0.28033 -0.01957 0.36621 -0.05948 0.00800 148 16 C 1S 0.00638 -0.00065 0.00813 -0.00116 0.00144 149 2S -0.01204 0.05786 0.02485 0.00449 0.00001 150 2PX 0.08666 -0.04973 0.05121 -0.03949 0.02269 151 2PY -0.00419 -0.01790 -0.02180 -0.00775 0.00536 152 2PZ 0.01999 0.01131 -0.06917 -0.16448 -0.00449 153 3S -0.93536 0.40455 -0.68226 -0.07704 0.01388 154 3PX 0.50652 -0.15616 0.47136 0.03078 0.05497 155 3PY -0.14172 0.21797 0.03852 -0.08760 0.14224 156 3PZ -0.13708 0.04963 0.01759 0.06594 -0.01408 157 4XX 0.04021 -0.02737 -0.12364 0.01404 -0.01686 158 4YY -0.00307 0.00362 0.02922 0.06532 0.00554 159 4ZZ -0.05357 0.03796 0.08981 -0.07951 0.00983 160 4XY -0.02646 -0.00221 0.01107 0.10368 0.01089 161 4XZ 0.16549 -0.05546 -0.38403 0.02581 -0.00988 162 4YZ -0.14495 -0.03095 0.21211 0.62067 -0.00275 163 17 O 1S 0.00095 0.00351 0.00486 -0.00341 0.00568 164 2S 0.07293 0.02314 0.08649 -0.05514 0.09194 165 2PX -0.02296 0.03057 0.00965 -0.01039 -0.01249 166 2PY -0.05265 0.01176 -0.07246 -0.00230 -0.00610 167 2PZ -0.01773 0.02603 0.01757 -0.12015 -0.00024 168 3S -0.04395 -0.18715 -0.19818 0.17243 -0.28944 169 3PX -0.00959 0.00347 -0.03954 -0.05662 0.06332 170 3PY 0.09061 0.01365 0.16562 -0.03701 0.07200 171 3PZ 0.06443 -0.03134 -0.03622 -0.07012 -0.00743 172 4XX 0.08434 -0.02017 -0.00232 -0.11327 0.03210 173 4YY 0.03810 -0.00196 0.05289 -0.04986 0.02447 174 4ZZ -0.07423 0.04550 0.01947 0.11903 0.01262 175 4XY -0.01260 0.02282 -0.00081 -0.08108 0.01099 176 4XZ 0.08370 0.00395 -0.18111 -0.32942 -0.00139 177 4YZ -0.02700 0.04345 0.09243 -0.33760 0.00297 178 18 H 1S -0.03118 0.02588 -0.01708 -0.01169 0.01538 179 2S -0.08686 0.09319 -0.02320 -0.03013 0.03209 180 19 H 1S 0.23106 -0.17092 0.14310 -0.00619 0.03605 181 2S 0.41695 -0.20888 0.29732 -0.00705 0.00584 182 20 H 1S 0.14376 0.10208 0.01931 -0.04490 0.06178 183 2S 0.21303 0.02621 -0.12381 -0.04501 0.01516 184 21 H 1S 0.12631 -0.17822 0.11123 -0.00249 0.20346 185 2S -0.01026 -0.33339 0.12272 0.00687 0.23783 186 22 H 1S 0.14286 -0.09438 -0.02908 0.02522 0.07592 187 2S 0.14305 -0.00877 -0.08546 0.00249 0.00167 188 23 H 1S 0.15594 -0.38778 0.13219 0.01223 0.26066 189 2S -0.00951 -0.52403 0.13883 0.08229 0.43589 190 24 H 1S 0.01247 -0.05238 0.07853 0.01180 0.37077 191 2S 0.14906 -0.23725 0.22864 0.02700 0.77346 192 25 H 1S -0.10134 0.21074 -0.05108 0.00718 0.21792 193 2S -0.08379 0.17386 -0.08895 0.00909 0.02877 194 26 H 1S -0.06602 0.28346 -0.06137 0.01066 0.21682 195 2S -0.13736 0.29723 -0.08005 0.00497 0.39221 196 27 H 1S -0.17079 0.18123 -0.06176 -0.00638 0.23288 197 2S -0.15851 0.30377 -0.09269 0.00997 0.37317 136 137 138 139 140 V V V V V Eigenvalues -- 1.60132 1.61975 1.68266 1.71919 1.75440 1 1 C 1S 0.00055 -0.00452 0.01542 0.01169 -0.01117 2 2S -0.01709 0.00860 0.15794 -0.08289 0.02145 3 2PX -0.03206 0.02070 0.03349 -0.11112 0.07253 4 2PY 0.01244 0.00800 -0.01338 -0.02688 0.02093 5 2PZ 0.00458 0.01441 -0.02096 0.03860 -0.01304 6 3S -0.18532 0.13050 -0.38073 -0.65484 0.53641 7 3PX -0.03800 0.02948 -0.06195 -0.25419 0.16618 8 3PY -0.04150 0.05610 -0.18961 0.01978 0.01960 9 3PZ -0.01410 -0.01832 0.08305 -0.01493 -0.02723 10 4XX 0.00916 -0.03022 0.04720 -0.02797 -0.00279 11 4YY -0.01238 -0.00681 0.03749 -0.01307 0.00395 12 4ZZ 0.00344 0.03306 -0.07644 0.04812 -0.00722 13 4XY -0.00902 -0.01461 0.01602 0.05726 -0.05702 14 4XZ 0.00768 -0.03564 0.00052 -0.01988 -0.00002 15 4YZ 0.00359 -0.05160 0.04727 -0.06509 0.01007 16 2 C 1S 0.00676 -0.00709 -0.00411 0.01532 -0.00984 17 2S 0.10250 -0.00514 -0.13554 0.11665 -0.09773 18 2PX 0.01804 0.05414 -0.03916 -0.02658 -0.00045 19 2PY 0.03023 -0.04416 0.00998 0.17753 -0.12053 20 2PZ -0.00939 -0.03833 0.03833 -0.02590 0.01083 21 3S -0.47451 0.89613 -0.50282 -0.84657 0.86481 22 3PX -0.27170 0.45628 -0.58124 -0.64242 0.61647 23 3PY -0.55684 0.10029 0.75081 -1.74755 1.04550 24 3PZ 0.09145 -0.04650 -0.02067 0.21315 -0.15570 25 4XX 0.00372 -0.03806 0.05471 0.10948 -0.09996 26 4YY 0.01348 0.03855 -0.05446 -0.14064 0.11658 27 4ZZ -0.01191 0.00750 -0.02453 0.04418 -0.01892 28 4XY -0.00076 -0.00972 0.00275 0.07221 -0.05453 29 4XZ 0.03476 0.00276 -0.09403 0.02173 -0.00167 30 4YZ -0.03329 0.03700 0.02827 -0.04461 0.01621 31 3 C 1S -0.01151 0.00653 0.01161 -0.03336 0.02347 32 2S -0.14223 0.02211 0.27747 -0.18493 0.10796 33 2PX 0.00386 -0.01107 0.07452 -0.00607 -0.01141 34 2PY -0.01723 0.03985 -0.00396 -0.13701 0.10733 35 2PZ 0.00634 -0.02168 -0.00045 -0.01875 0.00764 36 3S 0.74870 -0.30503 -1.01023 1.76011 -1.16084 37 3PX 0.08900 -0.09297 -0.13278 0.30718 -0.21262 38 3PY -0.19327 0.02868 0.21546 -0.45277 0.24560 39 3PZ -0.02981 0.05105 0.01257 -0.01798 0.03394 40 4XX 0.00715 -0.03341 -0.06360 0.11674 -0.06558 41 4YY 0.01178 0.00831 0.00144 -0.07866 0.05795 42 4ZZ -0.02330 0.02143 0.05715 -0.02978 0.00342 43 4XY 0.01377 -0.04459 0.10586 -0.08132 -0.00629 44 4XZ 0.03852 -0.07718 -0.01223 -0.04969 0.00311 45 4YZ 0.08060 -0.16185 -0.07863 -0.02916 -0.01560 46 4 H 1S -0.04688 0.03498 -0.01177 -0.15877 0.10980 47 2S -0.10668 0.11643 0.24907 -0.22898 0.20714 48 5 H 1S -0.03609 0.00813 0.06201 -0.12423 0.08161 49 2S -0.03671 0.02980 0.02247 0.01939 0.00662 50 6 H 1S -0.04461 0.03075 0.05223 -0.11600 0.07798 51 2S -0.02564 -0.03070 0.07221 -0.05036 0.02466 52 7 C 1S -0.00859 0.00306 0.00757 -0.01089 0.00478 53 2S -0.13864 0.08696 -0.04592 0.02482 0.02375 54 2PX -0.03429 0.02877 0.05998 0.03210 -0.04618 55 2PY -0.03155 0.02565 -0.07320 -0.02648 0.05811 56 2PZ -0.02413 0.09742 -0.04092 0.02883 -0.00219 57 3S 0.68818 -0.05504 -0.52631 0.66007 -0.48173 58 3PX 0.47470 0.75424 -1.94835 0.71482 -0.02820 59 3PY 0.54514 -0.75224 0.29556 1.31888 -1.02847 60 3PZ -0.04444 -0.36366 0.40609 -0.26133 0.05594 61 4XX 0.02393 -0.07844 -0.03021 -0.10282 0.06349 62 4YY -0.00887 0.01451 0.05644 -0.07253 -0.00502 63 4ZZ -0.01506 0.06023 -0.02490 0.19622 -0.07726 64 4XY 0.03573 0.02236 -0.15436 -0.17265 0.10227 65 4XZ 0.09139 -0.26408 -0.04645 -0.07785 -0.03899 66 4YZ 0.13328 -0.34578 -0.03282 -0.14201 -0.04817 67 8 C 1S 0.02780 0.02401 -0.11416 0.03742 -0.01642 68 2S 0.38979 -0.03914 -1.27150 0.58040 -0.27914 69 2PX 0.02955 -0.12455 0.01466 -0.05885 0.04875 70 2PY 0.01369 -0.13842 0.08944 -0.03641 -0.02175 71 2PZ 0.01394 -0.03584 -0.00960 -0.04209 0.03891 72 3S -1.64217 -0.62252 5.45826 -2.52922 1.15895 73 3PX 0.06493 0.17385 0.35631 0.33857 -0.21167 74 3PY -0.05127 1.35236 -0.99885 0.30790 0.23432 75 3PZ -0.26634 0.26667 0.83111 0.01152 -0.01208 76 4XX -0.02004 0.23764 -0.20976 -0.29656 0.17541 77 4YY 0.01282 -0.02719 0.06438 0.01328 -0.03101 78 4ZZ 0.02773 -0.19416 0.09064 0.29942 -0.16568 79 4XY -0.03194 -0.06499 0.18322 0.23397 -0.11219 80 4XZ -0.12671 0.21961 0.15331 0.13888 -0.06907 81 4YZ -0.10286 0.30101 0.02860 0.06083 -0.01994 82 9 C 1S -0.03191 -0.01233 0.09437 -0.03986 0.02821 83 2S -0.26266 -0.21799 1.20939 -0.78697 0.11769 84 2PX -0.03591 0.12394 0.21745 -0.04335 -0.14589 85 2PY -0.07369 0.06545 0.15501 -0.01457 0.01943 86 2PZ -0.03011 0.05625 -0.04267 0.04275 0.01211 87 3S 1.43746 0.97880 -4.45463 2.63058 -1.24946 88 3PX 0.26854 -0.14112 0.27885 0.55722 -0.27822 89 3PY 0.29822 -1.07531 -0.95180 -0.61079 0.26546 90 3PZ -0.09708 -0.64193 1.06790 -0.53400 0.09302 91 4XX -0.02412 -0.04044 0.17908 0.25802 -0.02367 92 4YY 0.01720 -0.02208 -0.00611 -0.05074 -0.05539 93 4ZZ -0.01065 0.05980 -0.12264 -0.21955 0.09816 94 4XY 0.13412 -0.01023 -0.27357 -0.15002 0.16015 95 4XZ -0.02095 0.12666 -0.11237 0.00120 -0.04250 96 4YZ -0.01474 0.04809 -0.02699 0.06429 -0.06805 97 10 C 1S 0.01082 0.00346 0.01188 0.00650 0.02457 98 2S 0.09425 0.22361 0.35489 -0.15563 0.41218 99 2PX 0.03743 -0.11370 -0.07415 -0.03870 -0.01520 100 2PY -0.07121 -0.13833 -0.11699 -0.08596 0.29009 101 2PZ 0.01716 -0.03261 -0.05209 0.01700 -0.00271 102 3S -2.65183 -1.10855 -1.40506 -0.48469 -2.31756 103 3PX -0.53392 -0.15916 -1.37805 0.42887 -1.16880 104 3PY 1.37173 1.68766 0.60025 2.24143 -2.75100 105 3PZ -0.05843 0.51182 0.28652 -0.05797 0.30954 106 4XX 0.04936 -0.18527 -0.05656 0.15255 0.20074 107 4YY 0.00169 0.06543 0.04119 -0.15580 -0.31966 108 4ZZ -0.06884 0.11010 0.01625 -0.01834 0.11849 109 4XY -0.00811 0.00391 0.08453 -0.01624 -0.02212 110 4XZ 0.10442 -0.32564 0.05360 -0.03478 -0.06946 111 4YZ -0.01724 -0.12313 0.05602 0.00225 -0.03293 112 11 C 1S 0.01287 0.01801 -0.03040 0.02988 -0.07538 113 2S 0.25836 0.13006 -0.51625 0.51467 -0.41946 114 2PX -0.03093 0.01436 0.12121 -0.00137 -0.03235 115 2PY -0.10821 0.05282 0.07485 -0.03820 -0.23532 116 2PZ -0.04772 0.00744 -0.04801 0.00185 -0.00188 117 3S -0.68744 -1.10708 1.16298 -2.31601 3.46595 118 3PX 0.41280 0.04498 -0.27547 0.15776 -0.03907 119 3PY 0.36832 0.34064 -0.21510 0.81483 -1.09270 120 3PZ 0.18935 -0.10356 -0.05605 -0.03333 0.06973 121 4XX 0.02833 -0.04670 -0.08587 0.03393 0.06862 122 4YY 0.02063 0.02796 -0.02332 -0.12891 -0.13861 123 4ZZ -0.05198 0.01294 0.07261 0.11494 0.05401 124 4XY 0.05173 0.06623 0.18976 0.10715 -0.03529 125 4XZ 0.01493 0.08109 -0.06386 -0.02488 0.00067 126 4YZ 0.01229 0.15014 -0.14279 0.00641 0.05480 127 12 H 1S 0.10284 0.13025 0.00198 0.06381 -0.27102 128 2S -0.39369 -0.04678 -0.04218 0.08743 -0.17667 129 13 H 1S 0.08914 0.08012 -0.16620 0.12274 -0.27583 130 2S 0.21170 0.03704 -0.22753 0.07485 -0.00496 131 14 H 1S 0.10332 0.04309 -0.08893 0.10538 -0.28730 132 2S -0.05058 0.10569 -0.16078 0.14488 -0.12881 133 15 C 1S -0.01591 -0.00739 -0.01303 -0.01572 -0.01472 134 2S -0.47776 -0.18279 -0.22174 0.11661 -0.09127 135 2PX 0.07863 -0.00461 0.03003 -0.01795 0.17007 136 2PY -0.20111 -0.04629 -0.02180 -0.06854 -0.07915 137 2PZ -0.04494 0.06038 0.03141 -0.02563 -0.01106 138 3S 1.82720 1.25853 1.55215 1.27197 0.72134 139 3PX -1.63202 -1.04949 -0.93182 -0.66634 0.76858 140 3PY 2.13675 0.73681 1.26036 0.19315 1.85441 141 3PZ 0.34339 -0.01452 0.04082 0.20344 -0.25079 142 4XX -0.00346 0.07027 -0.03923 -0.22788 -0.27599 143 4YY 0.09103 -0.01326 -0.03224 0.23991 0.13990 144 4ZZ -0.09094 -0.04786 0.09092 0.00162 0.21847 145 4XY 0.12319 0.00308 0.02434 -0.14090 -0.15321 146 4XZ -0.06851 0.03687 0.05578 0.03446 0.13521 147 4YZ 0.06137 -0.24655 -0.00799 0.03697 -0.01935 148 16 C 1S -0.02697 -0.00669 -0.00455 -0.00583 0.00434 149 2S -0.23704 -0.10992 -0.05515 0.28023 0.32818 150 2PX -0.11065 -0.01914 -0.04999 -0.16338 -0.15974 151 2PY 0.01485 -0.00190 -0.02601 -0.04501 -0.02318 152 2PZ 0.04041 -0.03150 -0.01325 0.04845 0.01334 153 3S -1.49031 -0.21057 -0.63799 -0.45134 -2.28698 154 3PX -0.67133 -0.29981 -0.30824 0.42436 0.70724 155 3PY -3.29926 -1.03953 -1.17104 -0.43650 -1.33179 156 3PZ 0.23186 0.16486 0.16740 -0.10758 -0.02447 157 4XX 0.20676 0.07851 0.02680 -0.13993 -0.29946 158 4YY -0.13502 -0.04224 -0.08460 0.14955 0.04564 159 4ZZ -0.09145 -0.04626 0.07606 0.02059 0.30178 160 4XY -0.15890 -0.04283 -0.04227 -0.05168 0.00869 161 4XZ -0.01138 -0.06581 -0.02850 0.08766 0.09303 162 4YZ -0.02052 0.09153 0.04878 -0.01803 0.03569 163 17 O 1S -0.09408 -0.02789 -0.03093 -0.00786 -0.03038 164 2S -1.50890 -0.42613 -0.50676 -0.19914 -0.59303 165 2PX 0.04411 -0.00732 -0.00144 0.13338 0.11802 166 2PY 0.06232 0.00799 -0.00854 -0.00466 0.00826 167 2PZ -0.02030 -0.00838 -0.00294 -0.02548 -0.03080 168 3S 5.29691 1.55349 1.86914 0.58615 2.12000 169 3PX -0.84208 -0.22501 -0.27696 -0.30501 -0.54005 170 3PY -1.19373 -0.34558 -0.43067 -0.06515 -0.45088 171 3PZ 0.25641 0.03785 0.06506 0.06981 0.12893 172 4XX -0.23117 -0.08104 -0.10632 0.04185 -0.17468 173 4YY -0.33231 -0.07777 -0.11813 -0.15840 -0.31379 174 4ZZ -0.50499 -0.14176 -0.09662 -0.01110 0.13644 175 4XY -0.26152 -0.11507 -0.09218 0.08574 0.13110 176 4XZ 0.02701 -0.09923 -0.02246 0.02832 0.03752 177 4YZ 0.04434 -0.02842 0.01137 -0.01894 0.00049 178 18 H 1S -0.33085 -0.11818 -0.07769 -0.16914 -0.06420 179 2S -0.66534 -0.19530 -0.14498 -0.10968 -0.28331 180 19 H 1S 0.12168 -0.00372 0.09991 -0.22760 0.21288 181 2S 0.32998 0.07577 0.22480 0.01642 0.69245 182 20 H 1S -0.14191 0.12444 0.35919 0.03878 0.04903 183 2S -0.10515 0.19465 0.22777 -0.01286 0.04018 184 21 H 1S -0.07728 -0.22159 0.25272 -0.29000 0.18889 185 2S -0.01627 -0.50922 -0.02979 -0.47695 0.06762 186 22 H 1S 0.07300 0.28197 -0.48060 0.14688 -0.01460 187 2S 0.05206 0.23647 -0.34217 0.25357 -0.10310 188 23 H 1S 0.08630 -0.07091 -0.30256 0.09155 -0.03508 189 2S 0.24028 -0.57314 -0.19861 0.27256 -0.40200 190 24 H 1S 0.04670 -0.16440 0.07484 0.22835 -0.15282 191 2S 0.15273 -0.23768 0.14937 0.50965 -0.35364 192 25 H 1S 0.00946 -0.00842 0.01883 0.07991 -0.05698 193 2S -0.00266 0.05171 -0.10602 0.01835 -0.00153 194 26 H 1S 0.00772 -0.03621 0.07207 0.02258 -0.03446 195 2S 0.01514 0.00757 0.01262 0.01157 -0.00206 196 27 H 1S -0.00808 0.00149 0.07743 0.02949 -0.03472 197 2S 0.00885 -0.01819 0.05851 -0.04083 -0.00636 141 142 143 144 145 V V V V V Eigenvalues -- 1.79947 1.81023 1.81795 1.84227 1.84581 1 1 C 1S -0.00573 0.01241 0.00324 -0.06120 -0.01282 2 2S 0.09849 0.13043 -0.05026 -0.22497 -0.29137 3 2PX 0.05110 -0.02526 -0.03690 0.21401 -0.03171 4 2PY 0.01431 -0.02516 -0.00521 0.14457 -0.00912 5 2PZ -0.01080 0.01204 0.00371 -0.03332 0.01685 6 3S -0.28264 -1.03628 0.03894 2.94713 1.14846 7 3PX -0.08847 -0.33860 -0.01391 0.79709 0.65698 8 3PY -0.16065 -0.13373 0.16413 0.31311 -0.51860 9 3PZ 0.04706 0.03472 0.02000 -0.18824 -0.21915 10 4XX -0.11616 -0.11574 0.01331 -0.06498 0.51268 11 4YY 0.04582 0.02600 -0.01155 0.04367 -0.16961 12 4ZZ 0.06604 0.09160 0.00186 0.01361 -0.34661 13 4XY -0.03024 0.05288 0.07141 -0.26073 -0.38239 14 4XZ 0.06216 0.03493 0.00835 -0.00131 -0.24347 15 4YZ 0.05164 -0.03038 0.00966 0.01972 -0.02560 16 2 C 1S 0.00257 0.00294 0.00263 0.00765 -0.00465 17 2S -0.04210 -0.01959 0.11948 0.27105 -0.39374 18 2PX -0.01158 0.09352 -0.01109 -0.37608 0.02874 19 2PY -0.06810 0.02322 0.11192 -0.17338 -0.35068 20 2PZ 0.01185 -0.02192 0.00523 0.05486 -0.01653 21 3S -0.66983 -0.28884 0.00906 -0.71583 0.48719 22 3PX -0.80865 -1.14408 0.44531 2.70231 -0.57424 23 3PY 0.31422 -0.62603 -0.79629 1.61799 3.32380 24 3PZ 0.06190 0.23230 -0.09835 -0.44753 0.26732 25 4XX -0.18250 -0.08620 0.12505 -0.04759 -0.13707 26 4YY 0.25733 0.14704 -0.20491 -0.11697 0.34530 27 4ZZ -0.09384 -0.05530 0.08623 0.15104 -0.20887 28 4XY -0.08479 0.01647 0.03648 -0.36848 0.16325 29 4XZ -0.00529 0.00866 -0.00512 0.05751 0.00428 30 4YZ 0.04967 -0.01321 0.01459 0.04315 -0.07656 31 3 C 1S 0.02034 -0.00124 -0.02267 0.01976 0.06108 32 2S -0.03677 -0.14573 -0.03272 0.29773 0.24068 33 2PX -0.00351 -0.00961 0.00445 0.03394 -0.02405 34 2PY 0.10714 0.02823 -0.10936 -0.00006 0.24876 35 2PZ -0.01072 -0.00660 -0.00045 -0.01595 0.00750 36 3S -0.29128 0.59612 0.78447 -1.28002 -3.04850 37 3PX 0.15076 0.34850 -0.03704 -0.80456 -0.16061 38 3PY -0.01595 -0.16179 -0.17875 0.25419 0.93561 39 3PZ 0.01478 -0.04783 -0.00494 0.17575 -0.00516 40 4XX -0.01127 0.11350 0.03439 -0.39374 -0.15608 41 4YY 0.18200 0.07723 -0.13597 0.08601 0.19346 42 4ZZ -0.17182 -0.19250 0.10392 0.31278 -0.02365 43 4XY -0.10918 -0.20307 0.08495 0.48506 -0.01872 44 4XZ -0.02232 -0.06407 0.03538 0.14539 0.03410 45 4YZ 0.02272 0.03050 0.01424 -0.10555 0.02615 46 4 H 1S 0.04653 -0.02776 -0.08183 0.11211 0.26794 47 2S -0.03601 -0.21083 -0.01495 0.32066 0.13557 48 5 H 1S 0.10055 0.01946 -0.10323 0.04258 0.20461 49 2S 0.04436 0.02903 -0.03131 -0.00962 0.05411 50 6 H 1S 0.10899 0.02749 -0.09565 0.04270 0.20719 51 2S 0.01063 0.00154 -0.02287 -0.05359 0.06242 52 7 C 1S -0.00817 -0.00818 0.00517 0.00885 -0.01504 53 2S -0.41130 -0.22530 0.10749 -0.00005 0.18908 54 2PX -0.10147 -0.06984 0.02796 0.17497 -0.09529 55 2PY -0.01255 0.01935 -0.02689 -0.08443 0.06426 56 2PZ -0.00611 0.00141 -0.00568 -0.01425 0.03633 57 3S 1.31177 0.96515 -0.57730 -0.99614 1.45201 58 3PX -0.25164 0.16144 0.42012 -0.40413 -0.90069 59 3PY 0.94858 0.83871 -0.17010 -0.85111 -0.50404 60 3PZ 0.20223 -0.03135 -0.03122 0.00533 0.03537 61 4XX 0.26138 0.10572 -0.10051 0.04358 -0.06852 62 4YY -0.19235 -0.12401 0.08215 -0.11199 0.08542 63 4ZZ -0.08442 0.01966 0.02938 0.01802 0.00614 64 4XY 0.19010 0.12093 -0.10093 -0.16312 0.00791 65 4XZ -0.02599 -0.05481 0.10834 -0.05810 -0.02399 66 4YZ 0.04656 -0.09620 0.12177 -0.03604 -0.15542 67 8 C 1S 0.00671 0.02039 0.00088 0.01551 0.01323 68 2S -0.06510 0.11668 0.13893 0.50281 0.21646 69 2PX 0.21495 0.18814 -0.12719 -0.04804 -0.08989 70 2PY 0.08954 0.03953 -0.05878 -0.01748 -0.02098 71 2PZ 0.04664 -0.01652 0.00323 0.06026 -0.01667 72 3S -0.16795 -0.82708 -0.53220 -0.55172 -0.20901 73 3PX 0.13776 -0.04864 -0.03956 -0.31783 0.07919 74 3PY -0.58732 -0.16842 0.27291 0.09143 -0.07710 75 3PZ -0.18758 0.17782 -0.23314 -0.06040 0.05749 76 4XX 0.03208 -0.00852 -0.00728 -0.07645 -0.05193 77 4YY 0.00036 -0.06438 0.00198 0.11198 -0.04109 78 4ZZ -0.04809 0.07087 0.00925 -0.02612 0.09228 79 4XY 0.30416 0.17192 -0.10357 0.13077 -0.06903 80 4XZ -0.11106 -0.03553 0.00200 -0.04423 0.02359 81 4YZ 0.06349 0.02288 0.02381 0.03663 -0.10138 82 9 C 1S 0.00426 0.00250 -0.01926 -0.01123 -0.01300 83 2S 0.32063 -0.17018 -0.19083 -0.17942 -0.21976 84 2PX -0.07730 -0.20426 0.03196 -0.14104 0.06473 85 2PY -0.01762 0.00052 0.00019 -0.01660 -0.01311 86 2PZ -0.07181 0.00947 0.03898 -0.01854 0.01405 87 3S -0.40367 -0.21976 0.95424 0.19186 0.90403 88 3PX 0.17023 0.28186 0.00394 -0.25383 0.14885 89 3PY 0.12950 -0.45566 0.15539 -0.20419 0.04356 90 3PZ 0.04509 -0.10275 -0.29161 -0.13435 0.07592 91 4XX 0.05002 0.19708 -0.10513 0.06020 0.09471 92 4YY 0.05167 -0.06792 -0.00649 0.02018 0.02089 93 4ZZ -0.11913 -0.13103 0.11250 -0.09178 -0.11992 94 4XY -0.06503 -0.11803 0.00340 0.03622 -0.09184 95 4XZ -0.22267 -0.10867 -0.01592 -0.09545 0.09565 96 4YZ -0.09271 0.05300 -0.10182 0.06193 0.08523 97 10 C 1S -0.01493 0.00480 0.00575 -0.00776 -0.00371 98 2S -0.25102 -0.13201 0.10634 -0.24234 -0.11500 99 2PX -0.00738 0.17955 -0.07236 0.12592 -0.07105 100 2PY -0.02432 -0.09940 0.01255 0.00882 -0.06055 101 2PZ 0.00620 -0.01102 -0.00800 -0.00276 -0.00507 102 3S 1.15027 -0.47792 -0.55604 0.66836 0.27283 103 3PX 0.58270 -1.38210 0.44509 -0.62949 0.59562 104 3PY 0.41377 0.97027 -0.19318 0.08012 0.69543 105 3PZ 0.03462 0.18631 0.06652 0.12502 -0.31686 106 4XX 0.03823 0.06287 -0.01882 0.10047 0.00506 107 4YY -0.01100 0.09261 0.00120 -0.00257 0.06094 108 4ZZ -0.06308 -0.13847 0.02065 -0.09086 -0.07334 109 4XY -0.02955 0.22160 -0.09729 0.07769 -0.01597 110 4XZ -0.06727 -0.03055 0.02327 -0.04846 0.05043 111 4YZ -0.05857 -0.07048 -0.09593 -0.01898 -0.00218 112 11 C 1S 0.00632 0.01884 -0.00367 0.00768 0.01832 113 2S 0.06890 -0.02190 -0.04609 0.07410 0.13157 114 2PX 0.05282 -0.00948 -0.03458 -0.00589 -0.01330 115 2PY 0.02119 0.09697 -0.03430 0.00771 0.03304 116 2PZ 0.00908 0.02566 0.00968 0.01705 -0.01273 117 3S -0.62567 -0.57117 0.33737 -0.31037 -0.86029 118 3PX -0.17322 0.36020 0.02198 0.18967 -0.00320 119 3PY 0.31784 0.09724 -0.04166 0.08770 0.31539 120 3PZ -0.04401 -0.06565 0.03907 -0.06235 0.13155 121 4XX -0.00687 0.02236 0.01532 0.02750 -0.02854 122 4YY -0.03327 0.09965 -0.01044 0.01317 0.00946 123 4ZZ 0.02486 -0.09672 0.00686 -0.03926 0.02399 124 4XY 0.09426 -0.14138 0.04995 -0.07263 0.08654 125 4XZ 0.01602 -0.00056 -0.11055 0.03754 -0.14020 126 4YZ 0.05797 0.02950 -0.07200 0.06937 -0.15373 127 12 H 1S 0.06454 0.01939 -0.00440 0.00442 0.07192 128 2S 0.02802 -0.04378 -0.13921 -0.03462 0.01356 129 13 H 1S 0.03025 0.09162 0.01817 0.04958 0.09468 130 2S -0.03653 0.00767 0.00299 -0.00099 0.03469 131 14 H 1S 0.01542 0.02107 -0.03576 0.01932 0.05606 132 2S -0.03325 0.11028 -0.02156 0.07324 -0.02207 133 15 C 1S -0.00079 -0.00821 0.00097 -0.00306 -0.00155 134 2S 0.19215 -0.27935 -0.08764 -0.04934 0.01056 135 2PX 0.07718 -0.28542 0.02858 -0.10490 0.01454 136 2PY 0.02800 -0.03189 -0.03940 -0.02466 -0.02165 137 2PZ 0.01014 0.04390 0.01953 0.01294 -0.01733 138 3S -0.71094 1.99663 0.00286 0.40910 -0.06993 139 3PX -0.37271 0.47546 0.04125 0.39836 -0.24181 140 3PY -0.89282 0.98023 0.16666 0.11230 -0.26119 141 3PZ -0.08323 -0.06907 -0.21516 -0.05988 0.13527 142 4XX -0.06541 0.01221 -0.08668 -0.00205 -0.04123 143 4YY 0.13077 -0.02358 -0.03356 0.07579 0.03472 144 4ZZ -0.11246 0.07391 0.12156 -0.07144 -0.00821 145 4XY -0.06401 0.11613 -0.08634 0.04580 0.00563 146 4XZ -0.10175 -0.05823 -0.29177 -0.01960 -0.13427 147 4YZ -0.19342 -0.04235 -0.27296 -0.03334 0.09635 148 16 C 1S -0.01584 0.02216 0.00311 0.00352 -0.00124 149 2S -0.09178 0.17048 0.05686 0.02861 0.03897 150 2PX 0.05160 -0.09991 -0.02896 -0.00734 -0.02699 151 2PY -0.02535 0.01163 0.02172 -0.00504 0.00365 152 2PZ 0.00493 0.02551 0.06663 0.00198 0.03814 153 3S 1.17787 -1.71249 -0.35756 -0.36083 0.15601 154 3PX 0.03930 0.08483 0.09625 0.10899 0.01644 155 3PY 0.44604 -0.32484 -0.23331 0.16183 -0.02329 156 3PZ 0.07570 0.00507 0.15152 -0.03085 -0.01200 157 4XX -0.02115 0.06027 -0.03111 0.02796 0.00601 158 4YY 0.20552 -0.30035 -0.04818 -0.04235 0.01736 159 4ZZ -0.18841 0.22731 0.07520 0.00256 -0.02993 160 4XY -0.12359 0.12571 0.02681 0.01374 -0.00315 161 4XZ -0.10038 0.01612 -0.05807 -0.01013 0.02404 162 4YZ -0.03351 0.00582 -0.09885 0.00335 -0.04366 163 17 O 1S 0.01455 -0.01813 -0.00578 0.00009 -0.00043 164 2S 0.19890 -0.19913 -0.11461 0.03709 -0.01046 165 2PX 0.10058 -0.14279 0.00129 -0.02754 0.01535 166 2PY -0.02111 0.00316 0.01151 -0.00520 0.00510 167 2PZ 0.00784 0.02658 0.04544 0.00245 0.01145 168 3S -0.90856 0.98923 0.40270 -0.09047 0.00068 169 3PX 0.01449 -0.01144 -0.07987 0.03426 -0.02874 170 3PY 0.29361 -0.32721 -0.07998 0.00618 0.01647 171 3PZ -0.06272 0.01906 -0.05288 -0.00150 -0.01169 172 4XX 0.26184 -0.57246 -0.29548 -0.11338 -0.07007 173 4YY -0.00032 0.11309 0.03298 0.05703 0.00194 174 4ZZ -0.14730 0.33675 0.19489 0.07062 0.05491 175 4XY 0.03042 -0.04220 0.06304 -0.01306 0.04489 176 4XZ -0.33998 0.09880 -0.51113 0.02644 -0.07926 177 4YZ 0.15970 0.08682 0.46007 0.00860 0.11636 178 18 H 1S -0.24046 0.35396 0.04568 0.07802 -0.02437 179 2S 0.04230 -0.00283 -0.06926 0.03261 -0.02836 180 19 H 1S -0.20546 0.05254 0.06198 -0.06352 -0.07504 181 2S -0.30021 0.25409 0.04958 0.06710 -0.07726 182 20 H 1S 0.06408 0.06462 -0.07591 -0.00146 -0.05750 183 2S 0.03418 0.06990 0.02910 -0.03666 -0.09236 184 21 H 1S -0.02033 -0.02171 -0.06007 -0.09566 -0.03539 185 2S 0.16042 -0.11369 -0.01519 -0.04801 -0.09859 186 22 H 1S -0.06337 0.05351 -0.00819 0.08553 0.03775 187 2S -0.15485 0.13733 0.00607 0.14753 0.03290 188 23 H 1S 0.16073 0.13313 -0.02417 -0.08202 0.05113 189 2S 0.20474 0.22497 -0.06159 0.13596 0.13316 190 24 H 1S 0.29273 0.20567 -0.08703 0.01335 -0.22930 191 2S 0.14276 0.16968 0.01034 -0.23428 -0.17046 192 25 H 1S -0.04389 0.05607 0.03636 -0.28690 -0.11439 193 2S 0.02100 0.09417 0.03085 -0.19685 -0.34412 194 26 H 1S -0.02761 0.03019 0.00555 -0.20820 0.01096 195 2S 0.01272 0.03219 -0.02077 -0.03030 0.05674 196 27 H 1S -0.01669 0.02977 0.00905 -0.21170 -0.01346 197 2S 0.01913 0.00378 -0.00691 -0.05679 0.00395 146 147 148 149 150 V V V V V Eigenvalues -- 1.85718 1.87727 1.90369 1.90566 1.91571 1 1 C 1S -0.02764 -0.00480 0.01678 -0.00857 -0.00690 2 2S 0.00235 -0.16980 0.06691 -0.12006 0.01204 3 2PX 0.11211 -0.05905 -0.04747 -0.00460 0.03263 4 2PY 0.08856 0.00049 -0.04703 0.01268 0.02668 5 2PZ -0.01231 -0.00941 0.04279 0.02051 -0.00594 6 3S 0.74188 0.30718 -0.66215 0.44062 0.29369 7 3PX 0.03012 0.25887 -0.24589 0.13953 0.01514 8 3PY 0.17320 -0.15593 0.08232 -0.07727 0.21513 9 3PZ -0.12027 0.22759 -0.33521 -0.28410 0.07283 10 4XX -0.29709 0.23036 -0.04211 0.04944 -0.13086 11 4YY 0.05439 -0.08191 0.02283 -0.03607 0.01701 12 4ZZ 0.25001 -0.14449 0.00697 -0.00750 0.10922 13 4XY -0.07346 -0.04926 0.08875 -0.13507 0.10656 14 4XZ 0.06714 0.04657 -0.16560 -0.14858 0.09157 15 4YZ -0.11570 0.33765 -0.41622 -0.24099 0.08021 16 2 C 1S 0.01436 0.00671 -0.01016 0.00858 0.00296 17 2S 0.36043 -0.00698 -0.15233 0.08637 0.21119 18 2PX -0.10998 -0.01996 0.05573 -0.02151 0.01755 19 2PY -0.06152 -0.02073 0.12988 -0.03705 -0.00308 20 2PZ 0.02411 -0.00023 0.01642 0.03257 -0.01613 21 3S -1.06613 -0.54304 0.59659 -0.72149 -0.14815 22 3PX 0.69331 -0.48885 0.01594 -0.09285 0.59988 23 3PY -0.30078 0.35745 -0.77353 0.42278 -0.39713 24 3PZ 0.07541 -0.30833 0.50207 0.47732 -0.25047 25 4XX -0.19581 -0.00978 0.13180 -0.03192 -0.01277 26 4YY 0.06718 0.05162 -0.06430 0.01010 -0.03945 27 4ZZ 0.15010 -0.05239 -0.09552 0.02803 0.08200 28 4XY -0.20726 0.10350 0.05351 0.02982 -0.01860 29 4XZ 0.10051 -0.00018 -0.11796 -0.00928 0.03911 30 4YZ 0.00906 0.12261 -0.05010 0.05907 0.01847 31 3 C 1S -0.00544 0.00823 -0.00776 0.00460 -0.01118 32 2S -0.17751 0.02801 0.04546 0.02479 -0.06511 33 2PX -0.03319 -0.00689 0.02999 -0.00043 -0.02419 34 2PY 0.02702 0.03072 -0.05409 0.00769 -0.03486 35 2PZ 0.02463 -0.03181 0.01580 0.02196 -0.01800 36 3S 0.69171 -0.31001 0.33285 -0.21559 0.52089 37 3PX -0.06129 0.03511 -0.04795 -0.06346 -0.08469 38 3PY -0.37797 0.04393 -0.08486 0.06752 -0.18009 39 3PZ -0.11103 0.16177 -0.26046 -0.31256 0.12351 40 4XX -0.03094 -0.03727 0.04570 0.02349 -0.07234 41 4YY 0.07969 0.02399 -0.05899 0.01019 -0.04433 42 4ZZ -0.03923 0.02556 -0.00007 -0.02338 0.11326 43 4XY -0.04495 0.01116 0.14074 0.08767 0.03753 44 4XZ 0.03944 0.01500 0.12750 0.19741 0.02021 45 4YZ 0.10275 -0.08311 0.24759 0.32708 -0.08145 46 4 H 1S -0.00173 0.00215 -0.05737 0.01084 0.00973 47 2S 0.04357 0.08950 0.03509 0.00266 0.01038 48 5 H 1S -0.03286 0.01028 -0.05048 -0.05303 -0.07080 49 2S -0.05422 0.06889 -0.08054 -0.07813 0.02021 50 6 H 1S -0.01735 0.02891 0.01322 0.06401 -0.06885 51 2S 0.02420 -0.04424 0.05983 0.09745 -0.07188 52 7 C 1S 0.00623 -0.00711 -0.00716 0.00209 -0.00083 53 2S -0.07643 -0.11108 -0.22294 -0.03596 -0.04332 54 2PX 0.04597 -0.09830 -0.03296 -0.03440 0.05051 55 2PY 0.06607 -0.04922 -0.09871 -0.03331 -0.02792 56 2PZ 0.00337 -0.00385 0.02748 0.02792 -0.01458 57 3S 0.02784 1.21627 0.13007 0.51903 -0.22940 58 3PX 0.24699 0.25577 0.45118 -0.30287 0.45114 59 3PY 0.28116 0.64169 0.10092 0.40392 -0.26162 60 3PZ -0.20022 0.37374 -0.30024 -0.11835 0.03780 61 4XX 0.15122 0.00911 0.07257 0.08876 -0.05945 62 4YY -0.27907 -0.01172 0.19229 -0.05377 0.13099 63 4ZZ 0.14983 0.03367 -0.28643 -0.00878 -0.06074 64 4XY 0.07611 0.04084 -0.06048 -0.05016 0.15901 65 4XZ 0.06962 0.08947 0.15104 0.35088 -0.05146 66 4YZ -0.12690 0.47452 -0.32572 -0.07622 0.05148 67 8 C 1S 0.01898 0.02583 -0.01161 0.02497 0.01420 68 2S -0.25337 0.35317 0.04837 0.15115 0.18140 69 2PX -0.09032 -0.11462 0.06137 -0.11912 0.06262 70 2PY 0.06075 -0.04570 -0.02542 0.00101 -0.00174 71 2PZ -0.08416 0.03899 0.06139 -0.07788 0.03292 72 3S -0.13641 -1.69407 -0.18015 -0.89984 -0.56729 73 3PX 0.41002 0.18794 0.18215 -0.08514 0.02614 74 3PY -0.03140 0.12917 0.11999 -0.21130 -0.00823 75 3PZ 0.02552 -0.84510 -0.14359 -0.04222 -0.32602 76 4XX 0.00865 -0.02513 0.08166 -0.01125 0.17298 77 4YY -0.06910 0.05589 0.09277 -0.08413 -0.00580 78 4ZZ 0.08087 -0.02702 -0.19010 0.10866 -0.15966 79 4XY 0.02508 0.14061 -0.03231 0.11060 -0.25813 80 4XZ 0.08246 -0.01936 -0.23960 0.08291 -0.15475 81 4YZ -0.21682 0.24002 0.00791 -0.06068 0.07517 82 9 C 1S -0.03773 -0.05760 -0.01453 -0.02335 -0.02078 83 2S -0.19663 -0.34980 0.18168 -0.33157 -0.13431 84 2PX 0.26955 -0.01205 -0.05915 0.03082 -0.03796 85 2PY 0.04977 0.00454 0.00982 -0.01958 0.02508 86 2PZ 0.01093 -0.02512 -0.07810 0.05693 -0.04807 87 3S 1.92809 2.67366 0.31553 1.05403 1.12527 88 3PX 0.49076 0.28408 0.17875 0.09397 0.14490 89 3PY 0.28953 0.19004 0.32375 -0.16392 0.03620 90 3PZ 0.02260 -0.56042 0.10816 -0.44551 0.23691 91 4XX -0.12809 -0.17225 -0.04670 -0.04840 0.09547 92 4YY 0.03605 0.12477 0.11008 -0.09328 0.06089 93 4ZZ 0.07495 0.04386 -0.09656 0.15341 -0.15172 94 4XY -0.08688 -0.18227 0.01704 -0.25742 -0.25158 95 4XZ 0.24057 -0.10910 -0.22709 -0.03914 -0.06193 96 4YZ 0.02216 -0.12997 -0.01012 -0.23849 0.20348 97 10 C 1S 0.01100 0.00643 -0.01149 0.01995 -0.00014 98 2S 0.33803 0.17405 -0.17245 0.22436 -0.24751 99 2PX -0.32266 -0.24838 -0.12188 0.00994 -0.12063 100 2PY -0.03184 -0.04093 0.07414 -0.20195 -0.25749 101 2PZ 0.02479 0.06198 0.03714 0.02994 0.01768 102 3S -1.08714 -1.03974 0.75486 -1.47054 -0.29096 103 3PX 2.02775 1.47010 1.24038 -0.57187 0.24373 104 3PY 0.29154 0.59135 -0.61893 1.60957 1.40324 105 3PZ -0.50985 0.09269 -0.11619 0.42041 -0.29802 106 4XX -0.18698 -0.11937 0.04898 -0.19941 -0.15466 107 4YY 0.07183 0.08478 0.05459 0.09180 0.33568 108 4ZZ 0.09152 0.00242 -0.14355 0.14684 -0.18816 109 4XY -0.26561 -0.16822 -0.11441 0.15979 0.19837 110 4XZ 0.06764 -0.11162 -0.08533 0.08159 0.00771 111 4YZ 0.03830 -0.01300 0.02300 -0.01902 -0.04427 112 11 C 1S 0.00705 0.01657 0.00704 0.01446 0.03207 113 2S 0.08056 0.16984 0.12783 -0.03860 -0.04314 114 2PX 0.01610 0.02933 0.02638 -0.02273 0.00849 115 2PY 0.00747 0.02336 -0.01280 0.10100 0.19239 116 2PZ -0.02181 0.03999 0.01319 0.01934 -0.00240 117 3S -0.38120 -0.77781 -0.19394 -0.71106 -1.10303 118 3PX -0.49833 -0.38348 -0.46690 0.34692 -0.02143 119 3PY 0.07993 0.14719 0.03350 0.12772 0.20561 120 3PZ 0.22127 -0.12831 0.01382 -0.27255 0.12086 121 4XX -0.05846 -0.06788 -0.10710 -0.03907 -0.20568 122 4YY -0.06182 -0.01485 -0.05680 0.17525 0.31787 123 4ZZ 0.12960 0.09052 0.14947 -0.11878 -0.11636 124 4XY 0.30639 0.26192 0.33467 -0.21435 0.07280 125 4XZ -0.18905 0.04536 -0.04545 0.22303 -0.11863 126 4YZ -0.17320 0.20017 0.09318 0.18735 -0.09206 127 12 H 1S 0.01515 0.00681 0.03826 0.05488 0.18342 128 2S 0.25161 0.32654 0.27516 -0.10805 0.08491 129 13 H 1S 0.02566 0.08596 0.04794 0.00097 0.18018 130 2S 0.06698 -0.05060 -0.04455 0.00887 0.02581 131 14 H 1S -0.00088 0.02876 -0.00353 0.09965 0.10422 132 2S -0.10868 0.04451 -0.06077 0.13929 -0.03875 133 15 C 1S 0.00708 -0.00235 0.00075 -0.00544 -0.01785 134 2S -0.10883 -0.17865 -0.15470 0.18103 0.11291 135 2PX 0.11393 0.02988 0.05444 -0.02083 0.16982 136 2PY -0.07184 -0.09458 -0.13031 0.16949 0.08225 137 2PZ -0.03093 0.00024 0.00819 0.00584 -0.03979 138 3S -0.69274 0.17151 -0.87414 1.37712 0.99828 139 3PX -0.43780 -0.18802 0.35714 -0.71869 -0.44532 140 3PY -0.25887 0.11916 -0.41475 0.53924 0.40918 141 3PZ 0.16172 -0.07986 -0.14859 0.00517 0.18021 142 4XX 0.03497 0.06577 0.05814 -0.00103 -0.03697 143 4YY -0.11772 -0.01219 0.12243 -0.18354 -0.02511 144 4ZZ 0.05566 -0.06502 -0.21841 0.25284 0.11067 145 4XY -0.11831 -0.15829 -0.05413 -0.02965 0.06726 146 4XZ -0.04862 0.13616 0.02501 0.16523 -0.04453 147 4YZ 0.16286 -0.10593 -0.05209 -0.21373 0.14431 148 16 C 1S 0.00053 0.00456 -0.00245 0.00765 0.00708 149 2S 0.07245 0.16695 0.05909 0.04877 0.16644 150 2PX -0.06024 -0.09400 -0.02807 -0.00779 -0.00080 151 2PY 0.05741 0.05322 0.03442 -0.03364 -0.03497 152 2PZ 0.02890 -0.01166 -0.01431 -0.02106 0.01705 153 3S 0.13212 -0.48762 -0.01278 -0.28197 -0.59960 154 3PX -0.15322 0.09011 0.10344 0.05949 0.58254 155 3PY -0.24108 -0.29061 0.20700 -0.55680 -0.90878 156 3PZ 0.00228 -0.00727 -0.00324 0.03390 -0.08154 157 4XX 0.00008 -0.05079 0.00427 -0.10210 -0.19322 158 4YY -0.02592 -0.02496 0.04084 -0.00856 0.15605 159 4ZZ 0.02249 0.06160 -0.07569 0.14573 0.03931 160 4XY 0.11984 0.14403 0.08238 -0.08225 -0.15730 161 4XZ 0.04648 -0.00316 -0.03929 0.01927 0.09138 162 4YZ -0.04204 0.01119 -0.01034 0.04492 0.00762 163 17 O 1S -0.00221 -0.00529 0.00349 -0.00917 -0.01481 164 2S -0.09557 -0.11577 0.04979 -0.13469 -0.21737 165 2PX -0.01042 -0.02032 -0.00027 0.01813 0.11354 166 2PY 0.07570 0.08884 0.06939 -0.05671 -0.04769 167 2PZ 0.00972 -0.00468 0.00279 -0.01321 -0.00784 168 3S 0.27800 0.41651 -0.26730 0.64313 0.90326 169 3PX 0.00668 -0.01965 0.06026 -0.16307 -0.39952 170 3PY -0.12024 -0.18094 0.00773 -0.10239 -0.09504 171 3PZ -0.00968 0.01289 -0.02916 0.05472 0.06318 172 4XX -0.10215 -0.18486 -0.14580 0.12755 0.04542 173 4YY -0.00668 -0.01740 0.03295 -0.13914 -0.30445 174 4ZZ 0.05280 0.12236 0.11510 -0.04405 0.12589 175 4XY 0.02765 0.02609 0.04275 0.01876 0.24618 176 4XZ 0.06295 0.20456 0.11852 -0.04217 0.02169 177 4YZ 0.01659 -0.13904 -0.06843 -0.06068 0.00479 178 18 H 1S 0.07164 0.11821 0.05944 -0.11081 -0.31541 179 2S -0.06230 -0.08127 -0.00250 -0.08464 -0.28754 180 19 H 1S 0.12283 0.06449 -0.08696 0.14844 0.02275 181 2S -0.12353 -0.00230 -0.04238 0.00469 0.08538 182 20 H 1S -0.12579 -0.15654 -0.09933 -0.03673 -0.25003 183 2S -0.10964 0.00274 -0.01211 0.03516 -0.13226 184 21 H 1S -0.12584 -0.30440 -0.05055 -0.08906 -0.02283 185 2S -0.06150 -0.08432 0.13925 -0.10206 -0.13695 186 22 H 1S 0.10178 -0.08795 -0.05185 0.04848 -0.07251 187 2S -0.11377 -0.09021 -0.06605 0.10088 -0.03737 188 23 H 1S 0.11033 0.15065 -0.06241 0.18674 0.06765 189 2S -0.14708 -0.01991 -0.06152 0.14957 0.05612 190 24 H 1S 0.29432 0.05498 -0.16619 0.10015 -0.16233 191 2S 0.02888 0.18814 0.03221 0.10646 -0.06764 192 25 H 1S -0.09127 -0.02190 0.08171 -0.04323 0.01570 193 2S 0.02248 -0.11876 0.10762 -0.09785 0.06045 194 26 H 1S -0.12762 -0.06009 0.14844 0.00493 -0.06664 195 2S 0.00046 -0.06648 0.11569 0.06840 -0.03512 196 27 H 1S -0.16570 0.04661 0.02508 -0.06318 -0.02714 197 2S -0.05591 0.08084 -0.11052 -0.06823 -0.00885 151 152 153 154 155 V V V V V Eigenvalues -- 1.94322 1.98548 2.01437 2.01786 2.02950 1 1 C 1S -0.01388 -0.01511 -0.01515 0.00265 -0.00602 2 2S -0.08284 -0.09240 -0.13635 -0.03474 -0.11462 3 2PX 0.04975 0.04585 0.03158 -0.04207 -0.01928 4 2PY 0.02770 0.05383 0.04088 -0.00293 0.01431 5 2PZ -0.01326 -0.00324 0.00233 0.02134 -0.01252 6 3S 0.84123 0.55524 1.00326 -0.09308 0.53800 7 3PX 0.24305 0.15989 0.25743 -0.04581 0.13211 8 3PY 0.10838 -0.28288 0.22307 0.18956 0.25804 9 3PZ 0.02143 -0.10826 -0.05270 0.05272 -0.08323 10 4XX -0.02406 0.06239 -0.05025 -0.04358 0.02019 11 4YY -0.00309 -0.08866 -0.07607 -0.02971 -0.05552 12 4ZZ 0.02938 0.06109 0.12652 0.06422 0.02880 13 4XY 0.00541 -0.29242 0.09290 0.16433 0.16413 14 4XZ 0.02778 -0.02434 0.00496 -0.01619 0.13063 15 4YZ 0.07216 -0.02756 -0.00930 0.04948 -0.11324 16 2 C 1S 0.00798 0.02600 0.01654 -0.00393 0.00653 17 2S 0.21874 0.53476 0.30089 -0.14632 -0.00002 18 2PX 0.00744 0.02322 0.05450 -0.01054 0.02125 19 2PY -0.07707 -0.11055 -0.07883 0.05442 -0.00683 20 2PZ 0.00878 0.00519 -0.00684 0.00216 -0.02164 21 3S -0.50706 -1.70470 -0.70343 0.45830 -0.07200 22 3PX 0.52743 -0.81138 0.65705 0.42514 0.61449 23 3PY 0.68241 1.06776 0.54443 -0.82398 -0.13916 24 3PZ -0.14063 0.18319 -0.08270 -0.05108 -0.33549 25 4XX -0.04653 -0.27657 -0.10847 0.06410 0.00586 26 4YY -0.03367 -0.04528 0.00742 0.06482 0.05834 27 4ZZ 0.12862 0.37577 0.18190 -0.14778 -0.03465 28 4XY 0.03164 0.05749 0.14700 0.04902 0.02950 29 4XZ 0.05781 0.08228 0.04548 -0.01964 -0.00393 30 4YZ 0.07535 -0.02624 0.06156 0.13859 -0.34906 31 3 C 1S 0.00079 -0.00521 -0.00187 -0.00113 0.00057 32 2S 0.01202 -0.11876 -0.00960 -0.02561 -0.01771 33 2PX -0.04095 -0.04798 -0.06420 -0.00181 -0.03667 34 2PY 0.00053 0.02055 -0.01535 -0.00245 -0.00748 35 2PZ 0.01101 0.00883 -0.00258 -0.01739 0.01145 36 3S -0.28646 -0.10016 -0.07487 0.41193 0.14867 37 3PX -0.13845 0.23757 -0.24634 -0.15011 -0.15206 38 3PY 0.09953 0.12287 0.04074 -0.26676 -0.11142 39 3PZ -0.03358 -0.05032 -0.01591 -0.06727 0.40117 40 4XX -0.04093 0.16404 -0.17878 -0.09747 -0.31473 41 4YY -0.06643 -0.13332 -0.06733 0.08167 0.04253 42 4ZZ 0.11504 -0.00076 0.25142 0.01056 0.27476 43 4XY 0.01542 -0.26637 0.02752 0.11129 0.02741 44 4XZ 0.08955 -0.03464 0.18776 0.16423 -0.20354 45 4YZ 0.04768 0.06826 0.06524 0.07487 -0.31027 46 4 H 1S 0.07572 0.01653 0.17870 0.00947 0.12374 47 2S 0.03595 -0.12104 0.00061 0.13217 0.05055 48 5 H 1S -0.07160 -0.06810 -0.15639 -0.07104 0.09420 49 2S -0.01802 0.03363 -0.01646 -0.03133 0.05680 50 6 H 1S -0.02431 -0.07508 -0.06750 0.06360 -0.20244 51 2S 0.02478 0.04012 -0.01803 -0.02469 -0.11059 52 7 C 1S 0.00942 0.01290 0.00793 -0.00998 0.00132 53 2S 0.07855 0.36979 0.08134 -0.19541 -0.14513 54 2PX -0.01313 -0.08763 -0.03564 0.01172 -0.05464 55 2PY 0.01271 0.18303 0.00262 -0.07403 -0.05619 56 2PZ -0.00889 0.01454 0.02034 0.01959 -0.06092 57 3S -0.48176 0.47811 -0.30343 0.28995 -0.15543 58 3PX -0.46895 -1.03799 -0.19816 1.05883 0.41114 59 3PY -0.50641 -0.04518 -0.43536 0.30916 -0.02541 60 3PZ 0.16560 0.25641 0.06883 -0.13193 0.02801 61 4XX -0.05626 -0.13198 -0.09372 0.08832 -0.06339 62 4YY 0.04031 -0.18809 0.17350 0.07123 0.09835 63 4ZZ 0.03954 0.41655 -0.00794 -0.16520 0.01232 64 4XY 0.12108 -0.04227 0.25674 0.06031 0.14355 65 4XZ 0.12179 0.14273 0.06975 0.02771 -0.16655 66 4YZ 0.09296 -0.05444 -0.05163 0.04363 -0.04546 67 8 C 1S -0.00028 -0.05501 -0.00506 0.03835 0.01434 68 2S -0.37412 -0.20656 -0.06577 0.36461 0.09504 69 2PX -0.12056 0.00549 0.06405 -0.01933 -0.00433 70 2PY 0.02252 -0.03804 -0.03790 -0.02099 0.02062 71 2PZ -0.07675 0.09603 -0.00082 -0.00015 -0.00094 72 3S 0.91481 1.73719 0.53344 -1.90409 -0.73960 73 3PX -0.20032 0.04115 -0.01052 0.28208 0.04021 74 3PY -0.50996 -0.27272 -0.35404 0.48908 -0.26373 75 3PZ 0.02605 -0.14871 -0.14714 -0.48789 -0.09022 76 4XX 0.19870 -0.10757 0.13289 0.02182 0.04673 77 4YY -0.24894 0.15515 -0.20840 0.08102 -0.15467 78 4ZZ 0.07760 -0.04897 0.07754 -0.11571 0.08925 79 4XY -0.13786 -0.24678 -0.11245 0.08233 -0.02011 80 4XZ 0.14791 -0.16490 -0.09518 -0.04672 -0.15214 81 4YZ -0.16866 0.20773 0.18689 0.12640 -0.35954 82 9 C 1S 0.03331 0.00566 0.01149 -0.05642 -0.03257 83 2S -0.12805 0.31001 0.09418 -0.38659 -0.40902 84 2PX 0.03382 -0.00731 -0.01678 -0.02073 0.09055 85 2PY -0.09456 0.02682 -0.05551 0.03682 -0.01693 86 2PZ 0.09693 -0.04046 -0.03373 -0.05339 0.02040 87 3S -0.25844 -0.62496 -0.44537 2.66195 2.01416 88 3PX 0.00226 0.09099 -0.10283 0.34943 0.61609 89 3PY 0.49690 0.21690 -0.12386 0.06082 0.61720 90 3PZ -0.21185 0.50034 0.22422 -0.19782 -0.08926 91 4XX 0.21538 -0.03118 0.19261 -0.10012 0.08014 92 4YY -0.30174 0.04557 0.10678 0.12212 -0.07305 93 4ZZ 0.08237 -0.04336 -0.30038 -0.01442 0.03030 94 4XY -0.05513 0.02857 -0.29535 -0.18141 -0.11410 95 4XZ 0.05817 -0.27368 -0.05891 0.07458 -0.12400 96 4YZ -0.45001 0.17790 -0.03419 0.21220 -0.05276 97 10 C 1S -0.01350 0.00508 -0.01401 0.02061 0.01880 98 2S -0.15688 0.20691 -0.19920 0.77348 0.20272 99 2PX 0.07635 0.04368 -0.03711 0.00976 -0.01417 100 2PY -0.04801 -0.01334 0.07820 -0.08621 -0.04123 101 2PZ -0.00738 -0.01253 -0.00200 -0.02286 0.03418 102 3S 0.92054 0.17789 0.97110 -1.17721 -0.65498 103 3PX 0.44894 0.42210 -0.19003 1.18826 1.44886 104 3PY 0.19493 -0.40113 0.62427 0.60881 0.64749 105 3PZ 0.00288 0.00641 -0.13380 -0.37832 -0.06001 106 4XX 0.15596 0.04973 0.07775 -0.12409 -0.03980 107 4YY -0.04463 -0.06926 -0.12391 -0.20272 -0.02680 108 4ZZ -0.09814 0.05789 0.01339 0.43607 0.09739 109 4XY 0.15253 0.08338 -0.08839 0.05774 0.04141 110 4XZ -0.14597 0.07965 -0.09750 0.00953 0.26185 111 4YZ -0.14484 0.11684 -0.10201 -0.01819 0.24046 112 11 C 1S 0.01177 -0.01039 0.00749 -0.00873 0.01186 113 2S 0.14706 -0.05701 0.13466 0.06522 0.14176 114 2PX 0.00747 -0.01575 0.03280 -0.07125 -0.04350 115 2PY 0.02035 -0.03269 -0.01661 -0.05743 -0.00398 116 2PZ 0.00630 0.00179 -0.00263 -0.00152 -0.00120 117 3S -0.69284 0.40586 -0.73693 -0.14521 -0.67256 118 3PX -0.16364 -0.26756 0.20505 -0.18919 -0.20364 119 3PY 0.22554 -0.03815 0.40915 0.26093 0.27121 120 3PZ 0.10257 -0.13068 0.11963 0.16193 -0.26244 121 4XX -0.04868 -0.12352 0.22509 -0.00609 -0.15590 122 4YY -0.08715 -0.09530 -0.11519 -0.31113 -0.07171 123 4ZZ 0.13190 0.21717 -0.10092 0.33352 0.23944 124 4XY 0.18349 0.11621 -0.14336 -0.05747 0.17030 125 4XZ -0.16972 0.08910 -0.06920 -0.16393 0.24971 126 4YZ -0.00925 0.10553 -0.09829 -0.07085 0.20546 127 12 H 1S 0.07079 0.07116 -0.07266 0.07421 0.11615 128 2S 0.13933 0.05059 -0.08910 -0.02207 0.06843 129 13 H 1S 0.06586 -0.14273 0.09517 -0.13141 -0.13979 130 2S 0.08317 -0.09914 0.02950 0.05974 -0.01631 131 14 H 1S -0.05524 -0.04836 0.00303 -0.21415 0.10795 132 2S -0.03571 -0.05003 0.00346 -0.05380 0.01310 133 15 C 1S -0.00310 0.01015 0.00956 0.01919 0.01493 134 2S -0.07038 0.04504 0.20281 0.16672 0.14925 135 2PX -0.04291 -0.02892 -0.07562 -0.15265 -0.04868 136 2PY -0.06961 -0.01681 0.05769 0.00684 0.03097 137 2PZ 0.00503 0.02749 0.00407 0.02227 0.02539 138 3S -0.27351 -0.71078 -0.68601 -0.48864 -0.80397 139 3PX -0.11747 0.05681 -0.63802 -0.12742 -0.44386 140 3PY -0.79931 -0.55128 -0.48354 -0.93924 -0.73779 141 3PZ -0.01343 -0.09008 0.18150 0.15985 -0.00068 142 4XX -0.03296 -0.03064 -0.10902 -0.16652 -0.00873 143 4YY 0.31249 0.04431 -0.04796 0.09179 -0.06131 144 4ZZ -0.25887 0.01102 0.08162 0.15522 0.09212 145 4XY 0.23749 0.14612 -0.26018 0.36942 -0.01812 146 4XZ -0.00012 0.04772 0.00480 -0.03786 0.14435 147 4YZ -0.11208 -0.08718 0.12313 0.10112 -0.16473 148 16 C 1S -0.00453 0.00244 -0.01211 0.01052 0.00116 149 2S -0.02553 -0.05573 -0.03791 -0.02947 0.00324 150 2PX -0.01451 -0.00204 -0.11247 -0.04831 -0.06781 151 2PY -0.05766 -0.04781 0.05436 -0.11998 -0.01273 152 2PZ -0.00516 -0.01222 0.02287 0.03528 -0.00858 153 3S 0.55946 0.42908 0.86400 0.55186 0.61990 154 3PX -0.03514 -0.18469 -0.68396 -0.21687 -0.34052 155 3PY 0.37147 0.35270 0.58325 0.38725 0.29340 156 3PZ 0.00426 0.05190 0.08631 -0.01172 0.04294 157 4XX 0.08581 0.07991 -0.00479 0.17449 0.06074 158 4YY 0.03789 -0.05888 -0.08665 -0.14735 -0.08019 159 4ZZ -0.14573 -0.00100 0.12237 0.01857 0.04397 160 4XY -0.15175 -0.09602 0.26005 -0.27462 0.01711 161 4XZ -0.08693 -0.01563 -0.02543 0.02001 0.06868 162 4YZ 0.03438 0.01544 -0.01266 0.05274 -0.03550 163 17 O 1S 0.00326 0.00429 0.01088 0.00225 0.00438 164 2S 0.19597 0.17603 -0.01018 0.29860 0.11398 165 2PX -0.01925 -0.04865 -0.01791 -0.10043 -0.05019 166 2PY -0.06355 -0.07075 0.09512 -0.19910 -0.01612 167 2PZ 0.01404 0.01192 0.00050 0.03299 -0.00259 168 3S -0.57742 -0.47257 -0.38274 -0.59276 -0.35907 169 3PX 0.08442 0.12708 0.22097 0.14630 0.15269 170 3PY 0.15741 0.11324 -0.00923 0.19944 0.05013 171 3PZ -0.03844 -0.03261 -0.04290 -0.04331 -0.00470 172 4XX -0.08856 0.00366 0.14881 -0.01097 -0.00806 173 4YY 0.05026 0.07024 0.21118 0.11456 0.09061 174 4ZZ 0.11689 0.02303 -0.33431 0.06360 -0.01822 175 4XY 0.04399 -0.03022 -0.28450 -0.01358 -0.07631 176 4XZ 0.12965 -0.02761 -0.03492 0.02712 -0.11896 177 4YZ -0.07108 -0.00242 0.01551 0.04091 0.00065 178 18 H 1S -0.12249 -0.01607 0.32248 -0.10245 0.07398 179 2S 0.07256 0.11889 0.21830 0.14901 0.10803 180 19 H 1S -0.45524 -0.14047 0.04433 -0.30768 -0.04766 181 2S -0.18173 -0.10819 -0.16359 -0.24277 -0.22301 182 20 H 1S 0.23022 -0.20945 0.08001 -0.27940 -0.22580 183 2S -0.04904 -0.01778 -0.02853 -0.06057 -0.15092 184 21 H 1S 0.31791 0.07480 -0.05343 -0.24784 0.03271 185 2S 0.13150 0.14336 -0.04463 -0.21071 -0.00649 186 22 H 1S -0.02290 -0.39232 -0.26653 0.08026 0.05195 187 2S -0.17961 -0.13099 -0.11136 0.04717 0.01544 188 23 H 1S 0.22698 -0.19322 0.20080 0.08138 0.19881 189 2S -0.02062 -0.08318 0.09912 -0.13411 0.10588 190 24 H 1S -0.09922 0.12530 -0.19808 -0.03682 -0.08970 191 2S -0.15824 -0.02790 -0.09906 0.12795 0.02912 192 25 H 1S -0.04467 -0.07494 0.04155 0.08378 0.07906 193 2S -0.06074 -0.22099 -0.06184 0.08765 0.01767 194 26 H 1S -0.08113 -0.09301 -0.11496 -0.04563 0.06304 195 2S -0.04170 0.04561 -0.02956 -0.01760 -0.04066 196 27 H 1S -0.04037 -0.13312 -0.07118 0.05767 -0.12830 197 2S -0.00452 -0.00680 -0.05348 -0.02678 -0.03818 156 157 158 159 160 V V V V V Eigenvalues -- 2.07052 2.07979 2.12057 2.13468 2.14668 1 1 C 1S -0.00079 0.00406 -0.01217 0.01258 -0.00189 2 2S 0.02856 0.14378 -0.09837 0.22800 -0.01215 3 2PX 0.00305 0.03188 0.02832 0.01074 -0.00041 4 2PY -0.03201 -0.05117 -0.02080 -0.01222 -0.00556 5 2PZ -0.03711 0.02290 0.00292 -0.01728 -0.03103 6 3S -0.25105 -0.63601 0.42165 -0.78711 0.06589 7 3PX -0.02415 -0.07420 0.30071 -0.37603 0.00395 8 3PY -0.28317 -0.35276 -0.26273 -0.10342 -0.05159 9 3PZ -0.28194 0.22510 0.03664 -0.02302 -0.19389 10 4XX 0.13179 -0.03000 0.12063 -0.23333 0.03311 11 4YY 0.09201 0.20781 0.04873 0.17571 0.03701 12 4ZZ -0.22445 -0.18655 -0.17347 0.05152 -0.07128 13 4XY -0.30100 -0.25645 -0.17410 -0.14648 -0.09097 14 4XZ 0.08068 -0.11643 -0.11358 0.12179 0.08450 15 4YZ -0.30073 0.33515 0.13665 -0.08707 -0.23611 16 2 C 1S -0.00890 -0.02399 0.00502 -0.01988 -0.00233 17 2S 0.13124 0.02655 0.44526 -0.13898 0.05425 18 2PX -0.01456 -0.06128 0.09325 -0.09403 -0.00044 19 2PY 0.07301 0.05860 0.09305 -0.12794 0.01635 20 2PZ 0.00136 0.00368 -0.01408 0.00926 0.00677 21 3S -0.25072 0.35501 -1.09365 0.53768 -0.07394 22 3PX -0.71444 -0.66709 -0.78892 -0.03150 -0.06163 23 3PY 0.32645 0.08778 1.11350 -0.67590 0.13974 24 3PZ 0.06554 0.09043 0.15115 0.04643 0.03361 25 4XX 0.00179 0.17859 0.00383 0.03100 -0.07277 26 4YY -0.12856 -0.12374 -0.13863 0.06254 -0.01091 27 4ZZ 0.10515 -0.10393 0.18464 -0.12510 0.08910 28 4XY -0.15368 -0.17011 0.08508 -0.19729 -0.00581 29 4XZ -0.18683 0.14566 0.11920 -0.11183 -0.22702 30 4YZ -0.36117 0.21356 0.04156 -0.02433 -0.02587 31 3 C 1S 0.00164 0.00199 0.00715 -0.00741 0.00284 32 2S 0.10817 0.09706 0.23580 -0.15150 0.05427 33 2PX 0.04119 0.05347 0.00566 0.02775 0.00461 34 2PY -0.01894 0.00368 -0.03704 0.03853 0.00421 35 2PZ 0.01543 -0.03733 -0.00525 -0.00339 0.01727 36 3S -0.34301 -0.33319 -0.83586 0.51515 -0.19984 37 3PX 0.29384 0.28414 0.07670 0.18544 -0.01059 38 3PY 0.27640 0.23513 0.56725 -0.32027 0.06626 39 3PZ 0.29332 -0.17054 -0.08089 0.03062 0.04916 40 4XX 0.20363 0.48522 0.25107 0.08323 0.00298 41 4YY -0.21149 -0.19278 -0.41994 0.18950 -0.07693 42 4ZZ 0.01386 -0.29396 0.17127 -0.28216 0.07181 43 4XY 0.01171 0.05214 0.07820 -0.02124 0.03189 44 4XZ -0.42621 0.04524 0.06415 -0.15625 -0.11149 45 4YZ -0.16296 -0.00339 -0.02095 0.01971 0.08708 46 4 H 1S -0.19357 -0.29348 -0.06731 -0.15554 -0.01611 47 2S -0.05856 -0.00453 -0.08830 0.05223 0.05934 48 5 H 1S 0.24445 -0.03750 -0.11565 0.14830 0.08655 49 2S 0.09458 0.06312 0.05345 0.00498 -0.01307 50 6 H 1S -0.17641 0.21960 -0.01385 0.04781 -0.10144 51 2S -0.00205 0.04409 0.06804 -0.01483 0.04278 52 7 C 1S -0.00495 -0.02060 0.00340 -0.01886 -0.00329 53 2S -0.19329 -0.25892 -0.25673 0.05888 -0.02800 54 2PX -0.09646 0.00912 -0.23266 0.30054 -0.00446 55 2PY -0.06957 -0.06868 -0.11010 0.02001 -0.02704 56 2PZ -0.01106 -0.01497 0.02752 -0.02358 0.04394 57 3S 0.93557 1.13068 1.15303 0.14770 0.21087 58 3PX -0.14253 0.18309 -0.67463 0.25746 0.02040 59 3PY 0.32671 0.23246 0.31885 0.14506 0.09521 60 3PZ 0.15710 -0.03677 0.04655 -0.06949 0.11879 61 4XX 0.05762 0.04014 0.02091 -0.05939 0.07533 62 4YY -0.01743 0.04561 0.08280 0.18567 0.01813 63 4ZZ -0.07417 -0.18808 -0.05050 -0.20428 -0.11005 64 4XY -0.00836 -0.08347 0.26524 -0.05447 0.11010 65 4XZ 0.03200 -0.14362 -0.10153 0.04009 0.12574 66 4YZ 0.14308 -0.09677 -0.16204 0.12984 0.23169 67 8 C 1S 0.01374 0.01950 -0.00883 0.01344 0.01302 68 2S 0.09182 0.12750 -0.30379 0.15177 -0.06466 69 2PX -0.00440 -0.01328 0.15694 -0.09021 0.00258 70 2PY -0.00055 0.03352 0.01102 0.02029 0.01226 71 2PZ -0.00404 -0.00118 -0.02496 -0.01720 -0.02216 72 3S -0.60854 -0.93749 0.87667 -0.56904 -0.10536 73 3PX -0.15506 0.14651 -0.02697 0.62556 -0.00257 74 3PY -0.13855 -0.02252 -0.44487 -0.06211 0.03471 75 3PZ -0.25485 -0.10110 0.46834 -0.36517 -0.24729 76 4XX 0.13013 0.18695 0.19898 -0.04836 0.08328 77 4YY -0.09230 -0.03000 -0.29996 0.06881 -0.01735 78 4ZZ -0.03422 -0.16595 0.11015 -0.02410 -0.04124 79 4XY 0.09079 -0.12723 0.29981 -0.42798 0.10681 80 4XZ -0.16809 -0.08417 -0.04269 0.09113 0.19115 81 4YZ 0.02368 -0.23447 -0.05855 0.07254 0.24076 82 9 C 1S -0.02275 -0.01947 0.01593 0.01199 0.01384 83 2S -0.06688 -0.31152 0.30807 -0.01149 -0.01669 84 2PX -0.04361 0.00172 0.06031 0.06166 -0.08618 85 2PY 0.00887 -0.01796 0.00621 -0.09114 -0.02093 86 2PZ -0.04365 0.00785 -0.01435 0.00737 0.00339 87 3S 0.91268 1.57257 -1.37215 -0.41989 -0.19513 88 3PX 0.18575 0.38298 0.06443 -0.66892 -0.27088 89 3PY 0.06692 0.54438 -0.44853 -0.08633 -0.00064 90 3PZ -0.20842 -0.06496 0.30054 0.24012 -0.05587 91 4XX -0.04933 0.17669 -0.06284 0.02654 0.00246 92 4YY 0.00921 -0.14076 0.18839 0.20941 -0.04612 93 4ZZ 0.02989 -0.01218 -0.14191 -0.21008 0.04692 94 4XY -0.15231 -0.11591 -0.04238 -0.42670 0.07288 95 4XZ -0.05846 -0.07317 0.08020 0.13671 0.18527 96 4YZ -0.09859 0.00274 0.08655 -0.03507 0.02736 97 10 C 1S 0.00091 0.00631 -0.00375 -0.01412 -0.00740 98 2S 0.10938 -0.10007 0.29229 0.21520 -0.13254 99 2PX -0.01147 -0.05890 0.02216 -0.06540 -0.05212 100 2PY -0.06379 -0.03930 0.06300 0.02156 -0.01293 101 2PZ 0.01606 0.01871 -0.02071 -0.02414 -0.00866 102 3S -0.15449 0.47927 -1.12301 -0.34414 0.43827 103 3PX 0.40277 1.47745 -1.24486 -1.03146 -0.11583 104 3PY 0.58740 0.50419 0.17257 0.64064 -0.46218 105 3PZ -0.23149 -0.28443 0.19422 0.39496 -0.07453 106 4XX -0.10533 0.00249 -0.05434 0.08915 0.04664 107 4YY -0.02240 -0.02212 -0.00846 -0.05018 -0.00665 108 4ZZ 0.15605 0.03556 0.00441 -0.07922 -0.05828 109 4XY -0.05043 0.09448 -0.10972 -0.05877 0.14890 110 4XZ -0.14255 0.02017 0.10494 0.11778 -0.24370 111 4YZ -0.27903 0.07188 0.14967 0.09597 0.24970 112 11 C 1S 0.00534 0.01518 -0.00941 0.00562 -0.00635 113 2S 0.03502 0.12988 -0.06401 0.14160 -0.10768 114 2PX 0.00714 -0.04030 0.04794 0.02721 -0.00809 115 2PY 0.02455 0.01588 -0.00855 -0.02368 -0.00421 116 2PZ 0.02150 -0.00194 -0.01731 -0.01551 0.00063 117 3S -0.44830 -0.79697 0.35535 -0.45338 0.42555 118 3PX -0.01655 -0.24114 0.27896 0.54610 -0.13698 119 3PY 0.19794 0.34752 -0.13911 0.18461 -0.13678 120 3PZ 0.32363 0.03390 -0.20851 -0.36433 -0.06433 121 4XX 0.10448 -0.17529 0.23432 0.32780 -0.16355 122 4YY -0.04280 0.00986 -0.14457 -0.18360 0.09392 123 4ZZ -0.04967 0.17206 -0.08483 -0.14542 0.07267 124 4XY -0.10552 0.13577 -0.10287 -0.06238 0.05260 125 4XZ -0.32750 -0.02819 0.27342 0.36321 0.05653 126 4YZ -0.07490 0.06553 -0.03388 -0.06190 0.10657 127 12 H 1S -0.00659 0.19170 -0.23147 -0.28480 0.12141 128 2S 0.01938 0.01666 0.00019 -0.05630 -0.06087 129 13 H 1S 0.17614 0.00273 -0.14098 -0.08032 -0.06240 130 2S 0.08925 0.03058 -0.02199 -0.06354 -0.06310 131 14 H 1S -0.17674 -0.00067 0.13866 0.29837 -0.04816 132 2S -0.06015 -0.05685 0.07086 0.16381 0.01609 133 15 C 1S 0.00597 0.01861 -0.01767 -0.01684 -0.00174 134 2S 0.10555 0.29748 -0.31488 -0.19708 0.01844 135 2PX -0.03038 -0.03684 -0.00037 -0.00733 0.02206 136 2PY 0.03748 0.07772 -0.07448 -0.06453 0.00436 137 2PZ -0.02326 0.01718 0.01574 0.01268 0.05212 138 3S -0.13738 -1.47910 1.69819 1.24073 -0.22258 139 3PX -0.22361 -0.41168 -0.04965 -0.66060 0.25423 140 3PY -0.36575 -1.14289 1.14907 0.51749 -0.08069 141 3PZ 0.07847 0.11811 0.02736 0.01775 0.24097 142 4XX -0.07011 -0.10018 0.12828 -0.03083 0.00376 143 4YY -0.03358 -0.02451 -0.00314 0.19568 0.11874 144 4ZZ 0.10853 0.12796 -0.13060 -0.19705 -0.10740 145 4XY 0.04519 -0.08507 0.05673 -0.00721 0.05686 146 4XZ -0.07314 0.09031 -0.01519 0.04619 0.19637 147 4YZ 0.01812 0.05259 0.04092 -0.10804 0.42442 148 16 C 1S 0.00115 -0.00122 -0.00442 -0.00811 0.00484 149 2S -0.00023 0.03295 -0.05437 -0.01539 0.05106 150 2PX -0.02712 -0.12629 0.10800 -0.01921 -0.04055 151 2PY -0.01835 0.00237 0.00843 -0.00142 -0.00709 152 2PZ 0.02109 0.01913 -0.02698 -0.01294 -0.00765 153 3S 0.24230 0.81812 -0.50336 0.14527 -0.15613 154 3PX -0.10960 -0.49598 0.30903 -0.07888 -0.01051 155 3PY 0.08200 0.60516 -0.66370 -0.24445 0.17429 156 3PZ 0.04844 0.02725 -0.05276 0.03860 -0.24013 157 4XX -0.01881 -0.00635 0.10548 0.06003 0.08087 158 4YY -0.03138 -0.09637 0.09022 0.03709 -0.04841 159 4ZZ 0.06411 0.14320 -0.24195 -0.11601 -0.01462 160 4XY -0.04244 0.12835 -0.10874 -0.04950 0.03833 161 4XZ -0.13810 0.10700 0.02829 -0.01284 0.51261 162 4YZ 0.07878 -0.04127 -0.03336 -0.02063 -0.19222 163 17 O 1S 0.00062 0.00802 -0.00664 -0.00231 0.00112 164 2S 0.03604 0.09282 -0.10346 -0.01841 0.01079 165 2PX -0.00948 -0.03139 0.02013 -0.01407 -0.00975 166 2PY -0.03678 0.01536 0.00597 0.00689 -0.01012 167 2PZ 0.02296 0.00183 -0.01891 -0.01040 -0.03902 168 3S -0.08403 -0.51143 0.51560 0.14739 -0.07981 169 3PX 0.01152 0.18905 -0.14313 0.02097 0.03433 170 3PY 0.03006 0.06302 -0.07873 -0.04273 0.02206 171 3PZ -0.04402 -0.02624 0.05914 0.02283 0.10189 172 4XX 0.08147 0.08921 -0.14710 -0.12533 -0.06257 173 4YY 0.01946 0.16764 -0.14883 0.00351 0.06548 174 4ZZ -0.07317 -0.19649 0.23772 0.10480 0.00729 175 4XY -0.02492 -0.18906 0.17800 0.02087 -0.07660 176 4XZ 0.14162 -0.11300 -0.01366 -0.01413 -0.33075 177 4YZ -0.03799 0.02306 0.01764 -0.00163 0.09555 178 18 H 1S -0.00829 0.21854 -0.22690 -0.08608 0.09742 179 2S 0.03475 0.19082 -0.18156 -0.03243 0.04943 180 19 H 1S -0.03494 -0.05969 0.06388 -0.18264 -0.06658 181 2S -0.15756 -0.30704 0.24467 0.10757 0.04413 182 20 H 1S -0.03535 -0.17637 0.11693 0.01545 0.08992 183 2S 0.00795 -0.13287 0.07978 -0.16998 -0.02756 184 21 H 1S -0.09127 0.10904 -0.11487 -0.09476 0.05373 185 2S 0.00043 0.02211 -0.03662 -0.01333 -0.01802 186 22 H 1S -0.02320 0.16733 -0.02053 -0.12613 -0.00753 187 2S -0.02936 -0.01222 0.03111 -0.13619 -0.09392 188 23 H 1S 0.13958 0.08569 0.21044 0.01186 0.07718 189 2S 0.09473 0.04023 0.11905 0.11314 -0.10382 190 24 H 1S 0.00857 -0.09180 -0.07935 -0.11168 -0.01738 191 2S 0.01111 -0.03092 0.02604 0.03893 0.03682 192 25 H 1S -0.16009 -0.24027 -0.16219 -0.08813 -0.04651 193 2S -0.03178 0.03791 -0.13116 0.11163 -0.01793 194 26 H 1S 0.26911 -0.06586 -0.05359 0.10385 0.16030 195 2S 0.07212 0.04133 0.01772 0.02135 0.01245 196 27 H 1S -0.17677 0.23850 0.07554 -0.04511 -0.14474 197 2S 0.01850 0.07597 0.04080 0.01840 -0.00772 161 162 163 164 165 V V V V V Eigenvalues -- 2.21490 2.22075 2.26311 2.27385 2.28760 1 1 C 1S 0.00300 0.00010 -0.00573 -0.01068 0.01579 2 2S 0.03293 0.00025 -0.08072 0.00860 0.11183 3 2PX 0.00477 -0.01546 0.01511 0.01859 -0.02672 4 2PY 0.00870 0.00061 0.00262 0.05823 -0.04382 5 2PZ 0.02027 -0.08364 -0.00268 -0.00023 0.02063 6 3S -0.07482 0.00432 0.26213 0.48293 -0.68045 7 3PX -0.04420 -0.07395 0.20219 -0.02600 -0.20981 8 3PY 0.06632 0.01100 0.05952 0.28074 -0.23454 9 3PZ 0.10307 -0.36083 0.00113 0.03560 0.06614 10 4XX -0.04888 0.22295 0.13999 0.16517 -0.31447 11 4YY -0.02861 -0.00035 0.02889 -0.71463 0.47879 12 4ZZ 0.07918 -0.22209 -0.16193 0.51030 -0.14931 13 4XY 0.06614 -0.05057 0.14867 -0.02355 -0.10537 14 4XZ -0.07941 0.66538 -0.06716 0.07823 -0.03728 15 4YZ 0.10572 -0.27432 0.01863 0.04182 0.07809 16 2 C 1S 0.00205 0.00014 0.00764 0.00944 -0.01301 17 2S -0.10751 -0.00767 -0.09513 0.17465 -0.01608 18 2PX -0.01668 -0.01769 0.03447 -0.01236 0.01586 19 2PY -0.05090 -0.00580 0.11544 -0.10126 -0.11117 20 2PZ 0.00818 -0.08498 -0.00602 0.00470 -0.00150 21 3S 0.12333 0.02507 -0.06583 -0.72323 0.61479 22 3PX 0.17681 0.07323 0.16898 -0.27915 0.08075 23 3PY -0.17730 -0.01319 0.05759 1.34621 -1.01086 24 3PZ -0.05256 0.23667 0.00157 0.06767 -0.02588 25 4XX 0.05610 0.01702 0.01341 -0.04837 0.11342 26 4YY -0.00258 0.00077 -0.03908 -0.00805 0.03252 27 4ZZ -0.06005 -0.01829 -0.00068 0.07592 -0.11002 28 4XY -0.03930 -0.00601 -0.01727 0.08235 -0.06154 29 4XZ 0.10654 0.04573 0.09997 0.13029 0.01319 30 4YZ -0.03820 -0.01579 -0.03676 -0.06797 -0.04700 31 3 C 1S -0.00454 -0.00016 -0.00018 0.01460 -0.01412 32 2S -0.07156 -0.00052 0.00419 0.09788 -0.10320 33 2PX 0.00154 -0.01567 -0.01947 0.04336 -0.00369 34 2PY -0.00368 0.00061 -0.02317 0.03118 -0.00712 35 2PZ -0.00266 -0.08581 0.00108 -0.00571 -0.00764 36 3S 0.23766 0.00232 0.04390 -0.89495 0.68195 37 3PX 0.02487 -0.07495 -0.10523 0.36613 -0.09883 38 3PY -0.13691 -0.01182 0.08224 0.45358 -0.44212 39 3PZ 0.02242 -0.40517 -0.01371 -0.06434 0.01407 40 4XX -0.04758 0.20832 -0.07971 0.33510 -0.10715 41 4YY 0.14470 0.01527 -0.05158 0.06341 0.09001 42 4ZZ -0.09612 -0.22488 0.13496 -0.37225 -0.00906 43 4XY -0.02987 -0.07766 -0.11021 0.38497 -0.14455 44 4XZ -0.01299 0.66636 0.10143 -0.14560 0.07541 45 4YZ -0.04333 -0.39941 -0.04221 -0.11250 -0.04900 46 4 H 1S 0.00008 0.00070 0.15614 -0.41444 0.08066 47 2S -0.02023 0.00961 -0.14459 -0.00644 0.12960 48 5 H 1S 0.02185 -0.48562 -0.11677 0.24808 -0.10896 49 2S 0.00552 0.01014 -0.00441 -0.00678 0.03080 50 6 H 1S 0.03975 0.49268 -0.03388 0.26900 -0.02208 51 2S -0.03831 -0.00946 -0.01380 -0.01879 -0.01234 52 7 C 1S 0.00745 0.00007 0.01367 -0.00028 -0.00025 53 2S 0.08180 0.01274 0.07159 0.02039 -0.03444 54 2PX 0.03791 0.00752 -0.08559 -0.03544 0.13483 55 2PY 0.02385 0.00270 0.01550 0.07370 -0.05541 56 2PZ -0.04062 0.00022 0.00937 -0.01510 -0.06003 57 3S -0.51374 -0.03710 -0.47209 0.49907 -0.30640 58 3PX -0.14876 -0.01061 -0.15384 -1.20446 0.73636 59 3PY -0.17373 -0.03291 0.02451 -0.63543 0.16695 60 3PZ -0.03068 -0.08928 -0.09829 0.17710 -0.13216 61 4XX -0.08752 -0.00560 0.10712 -0.07149 -0.17527 62 4YY -0.02708 0.00266 -0.24358 0.14227 0.21039 63 4ZZ 0.11211 -0.00056 0.13910 -0.03156 -0.02493 64 4XY -0.16126 -0.01759 -0.11273 0.02647 0.05647 65 4XZ -0.01334 0.00826 -0.02309 0.02948 0.01264 66 4YZ -0.11167 -0.03856 -0.07380 -0.06805 -0.11307 67 8 C 1S -0.01435 -0.00088 -0.01289 -0.01760 -0.00030 68 2S -0.03033 -0.00635 -0.14970 -0.07694 0.08947 69 2PX -0.07655 -0.00936 -0.01597 -0.02406 0.03029 70 2PY -0.02881 -0.00857 0.04633 -0.01877 -0.10159 71 2PZ 0.00308 -0.00749 -0.00218 0.00570 -0.01090 72 3S 0.45288 0.03824 0.52159 1.06272 -0.47185 73 3PX -0.02680 0.01366 -0.01084 -0.40978 0.23607 74 3PY -0.11062 0.04751 -0.24568 -0.08499 0.24980 75 3PZ 0.14129 0.06130 0.19499 0.21178 -0.06459 76 4XX -0.03882 -0.00928 0.08400 -0.04477 -0.18103 77 4YY -0.02497 -0.00007 0.04953 0.08635 -0.26094 78 4ZZ 0.07717 0.01255 -0.12548 -0.05466 0.43349 79 4XY -0.11688 -0.00540 -0.00149 0.08235 -0.05599 80 4XZ -0.18150 -0.01256 -0.07066 -0.02347 -0.15604 81 4YZ -0.07427 -0.00482 -0.13726 -0.10702 0.15350 82 9 C 1S -0.00649 -0.00162 0.01037 0.00360 -0.00669 83 2S 0.07023 -0.00036 0.31065 0.07891 -0.04808 84 2PX 0.05224 0.01210 0.03869 -0.00322 0.01492 85 2PY 0.01243 0.00552 0.00883 -0.00433 -0.01528 86 2PZ -0.02743 0.00152 -0.01263 -0.00689 -0.01211 87 3S -0.17211 -0.01605 -0.91492 -0.47848 0.31118 88 3PX 0.15810 0.01986 -0.32733 0.02556 0.26241 89 3PY -0.16780 -0.04110 0.18211 -0.15975 -0.05999 90 3PZ 0.04709 -0.01743 0.28508 -0.09011 -0.28632 91 4XX 0.09642 0.02518 -0.21803 -0.07491 -0.12754 92 4YY -0.09385 -0.02088 -0.00745 0.28068 0.39620 93 4ZZ -0.02241 -0.00849 0.16393 -0.21440 -0.25134 94 4XY -0.15375 0.01393 -0.12177 0.08451 0.27842 95 4XZ -0.20986 -0.01082 -0.02528 0.05763 0.08326 96 4YZ -0.14437 -0.00771 0.07510 -0.23278 -0.28138 97 10 C 1S 0.00585 0.00238 -0.02518 -0.00949 -0.00354 98 2S 0.14421 0.01510 -0.13649 -0.14957 -0.04534 99 2PX 0.08463 0.01372 -0.05226 0.05434 0.08760 100 2PY 0.09799 0.01994 -0.18891 -0.04765 -0.06663 101 2PZ 0.04097 -0.00164 0.04011 0.00413 -0.01422 102 3S -0.77506 -0.10796 1.52232 0.90232 0.66784 103 3PX -0.58783 -0.04833 0.32588 0.18424 0.95611 104 3PY 0.90780 0.05075 -0.48561 -0.73171 -1.19249 105 3PZ -0.01664 0.01431 -0.15107 -0.03465 -0.03693 106 4XX -0.12754 -0.01543 0.05355 0.02742 0.03993 107 4YY -0.03917 -0.00511 0.07478 0.06342 0.08827 108 4ZZ 0.15852 0.01913 -0.08460 -0.04793 -0.09208 109 4XY -0.03285 0.00014 -0.18858 -0.11634 -0.22665 110 4XZ -0.10769 -0.00049 -0.04199 -0.01891 -0.01429 111 4YZ -0.04470 -0.00612 -0.00914 -0.03987 0.00380 112 11 C 1S 0.00915 0.00038 -0.00363 -0.00762 -0.01273 113 2S 0.09859 0.01089 -0.08484 -0.08079 -0.12273 114 2PX 0.01462 -0.00098 0.05472 0.00383 -0.01906 115 2PY 0.01135 -0.00087 0.02026 0.00742 -0.00880 116 2PZ 0.07292 0.00287 0.03410 0.00077 0.01562 117 3S -0.53864 -0.02518 0.14141 0.40249 0.74860 118 3PX 0.25659 0.00455 0.33530 -0.11791 -0.45221 119 3PY 0.31914 0.01632 -0.15040 -0.20216 -0.32706 120 3PZ 0.24253 0.01095 0.05275 0.02994 0.03747 121 4XX 0.28696 0.00554 0.49350 -0.04339 -0.23512 122 4YY -0.16590 -0.01721 0.08805 0.06166 0.10908 123 4ZZ -0.10332 0.01132 -0.57713 -0.02955 0.11583 124 4XY -0.15430 -0.01215 0.22674 0.00130 -0.02001 125 4XZ -0.41083 -0.02169 -0.03883 -0.02575 -0.12352 126 4YZ 0.37969 0.01568 0.05265 -0.04139 0.05170 127 12 H 1S -0.12248 0.00256 -0.46231 0.02032 0.17244 128 2S -0.07095 -0.00333 0.04596 0.01871 0.07610 129 13 H 1S 0.38521 0.00892 0.34952 -0.01958 -0.04908 130 2S -0.02765 0.00465 -0.09791 0.01213 -0.03395 131 14 H 1S -0.34564 -0.02331 0.17809 -0.02118 -0.17990 132 2S 0.08390 0.00571 0.02029 0.00046 0.00280 133 15 C 1S -0.00155 0.00037 -0.00413 0.00232 0.00748 134 2S -0.07587 -0.00862 0.06832 0.02303 -0.01409 135 2PX -0.09084 -0.01559 0.22521 0.07707 0.13215 136 2PY 0.02568 0.00404 -0.05142 -0.05032 -0.11224 137 2PZ 0.03362 0.00289 -0.02930 -0.01568 -0.03432 138 3S 0.82723 0.06502 -0.61016 -0.42560 -0.83158 139 3PX -0.54215 -0.02931 0.33243 0.85654 1.30894 140 3PY 0.62378 0.08808 -0.98033 -0.28154 -0.41728 141 3PZ 0.26820 0.00832 -0.01728 -0.13610 -0.26413 142 4XX 0.25587 0.03116 -0.15359 -0.00252 0.04984 143 4YY -0.25159 -0.03993 0.27537 0.01901 -0.11606 144 4ZZ -0.01689 0.01054 -0.19443 -0.04463 0.01873 145 4XY -0.01855 -0.01050 0.19913 0.09438 0.13618 146 4XZ 0.25746 0.00949 0.14228 0.10491 0.09122 147 4YZ 0.19810 0.00786 -0.02184 -0.01506 -0.07017 148 16 C 1S -0.02370 -0.00320 0.03868 0.02673 0.04353 149 2S -0.15689 -0.02075 0.17561 0.08901 0.11594 150 2PX 0.09242 0.01571 -0.10809 -0.00269 0.03191 151 2PY 0.03017 0.00576 -0.06012 -0.03548 -0.04777 152 2PZ -0.06513 -0.00509 -0.00597 -0.02145 -0.02104 153 3S 0.40807 0.03301 -0.30411 -0.65305 -1.00552 154 3PX -0.14262 -0.00689 0.10909 0.29018 0.46966 155 3PY -0.41327 -0.04787 0.34879 0.17090 0.10702 156 3PZ -0.15051 -0.00425 -0.09171 -0.09897 -0.11021 157 4XX 0.22614 0.01851 -0.04545 0.00043 0.03900 158 4YY 0.11673 0.02015 -0.27585 -0.16599 -0.28886 159 4ZZ -0.41456 -0.04905 0.43255 0.23041 0.35061 160 4XY 0.02118 0.01086 -0.23818 -0.14006 -0.23680 161 4XZ 0.20900 -0.00213 0.21849 0.11949 0.10662 162 4YZ -0.21401 -0.01368 0.00983 -0.00971 0.03151 163 17 O 1S 0.00234 0.00030 -0.00221 -0.00188 -0.00396 164 2S -0.17694 -0.02472 0.30514 0.15608 0.23234 165 2PX 0.06320 0.00995 -0.11757 -0.05571 -0.08988 166 2PY 0.08369 0.01593 -0.22529 -0.13275 -0.21958 167 2PZ -0.04867 -0.00391 0.02135 0.00960 0.02663 168 3S 0.31019 0.03849 -0.40758 -0.16288 -0.14961 169 3PX -0.08412 -0.01223 0.10445 -0.00209 -0.04637 170 3PY -0.03938 -0.00803 0.13524 0.08879 0.13779 171 3PZ 0.13227 0.00749 0.01915 0.03110 0.02330 172 4XX -0.10109 -0.00797 0.07227 0.05682 0.13233 173 4YY -0.12191 -0.01707 0.08355 -0.00363 -0.06517 174 4ZZ 0.16625 0.01501 -0.00859 0.02445 0.05572 175 4XY 0.09936 0.01628 -0.10242 -0.02566 0.01367 176 4XZ -0.20203 -0.00608 -0.10594 -0.07566 -0.06382 177 4YZ -0.05797 -0.00431 -0.03469 -0.03969 -0.04675 178 18 H 1S -0.17099 -0.01884 0.10023 0.05313 0.04088 179 2S -0.09809 -0.01308 0.08176 0.02263 -0.01514 180 19 H 1S 0.21818 0.04044 -0.35857 -0.01881 0.07108 181 2S 0.04616 0.01273 -0.22941 -0.02317 -0.05563 182 20 H 1S 0.00917 0.00518 -0.13307 0.26547 0.33673 183 2S 0.02458 0.02193 -0.00470 0.02988 0.02823 184 21 H 1S 0.02045 0.00130 0.08902 -0.23418 -0.36985 185 2S -0.04287 -0.00924 0.17413 0.12676 0.14609 186 22 H 1S -0.12967 -0.00143 0.06499 0.03257 -0.28189 187 2S 0.05638 0.02384 -0.06317 0.00719 0.12200 188 23 H 1S -0.02679 -0.00568 -0.13644 -0.10816 0.25596 189 2S 0.05419 -0.03462 0.26782 -0.03415 -0.28469 190 24 H 1S 0.03215 -0.00466 0.22288 -0.22942 -0.07721 191 2S -0.04953 -0.00775 -0.04361 -0.23162 0.08324 192 25 H 1S 0.04628 0.00400 -0.02694 0.49548 -0.31492 193 2S 0.02030 0.00211 0.00542 -0.13858 0.11735 194 26 H 1S -0.10306 0.45135 0.04290 -0.33010 0.10078 195 2S -0.00035 -0.01607 -0.02533 0.03699 0.00820 196 27 H 1S 0.08939 -0.45498 0.08034 -0.29769 0.21076 197 2S -0.00705 0.01219 -0.00501 0.05005 -0.02858 166 167 168 169 170 V V V V V Eigenvalues -- 2.31410 2.35047 2.37193 2.38762 2.40684 1 1 C 1S 0.00749 0.01896 0.02105 -0.03201 0.01628 2 2S 0.06562 0.12570 0.09541 -0.18943 0.08324 3 2PX -0.02811 -0.04885 -0.06715 0.06686 -0.04830 4 2PY -0.01253 -0.02647 -0.03462 0.02975 -0.01988 5 2PZ 0.00186 -0.01335 0.02425 -0.03185 -0.01266 6 3S -0.15789 -1.05570 -0.93481 1.28742 -0.72892 7 3PX -0.21821 -0.36117 -0.39131 0.58064 -0.30241 8 3PY -0.04644 -0.44707 -0.36834 0.45652 -0.25145 9 3PZ 0.01469 0.06628 0.05887 -0.18731 -0.00324 10 4XX -0.19109 -0.04691 -0.17831 0.18715 0.04691 11 4YY -0.06074 0.04170 0.01164 0.15180 -0.04203 12 4ZZ 0.24702 0.02387 0.19411 -0.37484 0.01611 13 4XY -0.20769 -0.19996 -0.25174 0.29386 -0.16472 14 4XZ 0.05935 0.20060 -0.00870 0.02425 0.35223 15 4YZ -0.01810 0.02060 0.04301 -0.15915 -0.02174 16 2 C 1S -0.01510 0.00250 -0.00806 0.00475 0.00011 17 2S 0.07012 0.25575 0.17145 -0.12934 0.07389 18 2PX -0.10640 -0.05753 -0.12372 0.23421 -0.09881 19 2PY -0.13924 0.06355 -0.01262 0.04417 -0.01134 20 2PZ 0.01571 0.01339 0.01908 -0.06977 0.01465 21 3S 0.05562 -0.93602 -0.52639 1.09387 -0.45054 22 3PX -0.11741 -1.68632 -1.29331 1.82172 -0.95677 23 3PY 0.18162 -0.17304 -0.28773 0.09099 -0.26997 24 3PZ -0.00096 0.37633 0.20149 -0.34659 0.15142 25 4XX -0.01939 -0.09720 -0.06209 -0.02505 0.02334 26 4YY 0.06013 0.01794 0.02711 0.05398 -0.04749 27 4ZZ -0.01602 0.02611 -0.02021 0.08205 -0.03325 28 4XY 0.07977 0.18050 0.14929 -0.13753 0.13562 29 4XZ -0.19725 0.14884 -0.08288 -0.17059 0.08252 30 4YZ 0.08404 0.02663 -0.05454 0.26328 0.23515 31 3 C 1S 0.00397 -0.00796 -0.00539 0.01120 -0.00891 32 2S -0.00713 -0.01582 -0.03860 0.07075 -0.04945 33 2PX 0.00413 0.01270 0.00246 -0.00685 0.01085 34 2PY 0.03673 -0.03821 -0.01931 0.04651 -0.04268 35 2PZ -0.00594 0.02318 -0.01695 0.00824 0.01827 36 3S -0.20730 0.35930 0.32221 -0.38888 0.38555 37 3PX 0.08475 0.12906 0.11314 -0.17134 0.10381 38 3PY 0.01249 0.05672 -0.03989 0.07188 -0.08043 39 3PZ -0.06053 -0.04705 0.01238 0.00858 0.04093 40 4XX 0.12375 -0.10303 -0.03946 0.11007 -0.16441 41 4YY 0.02481 -0.16573 -0.07730 -0.00763 0.01486 42 4ZZ -0.14030 0.25254 0.11585 -0.10050 0.14669 43 4XY 0.13595 -0.24331 -0.18984 0.39627 -0.15349 44 4XZ -0.00146 -0.04713 0.08377 -0.12893 -0.19126 45 4YZ 0.02933 0.13639 -0.00486 0.12043 0.27746 46 4 H 1S -0.14707 0.19052 0.11855 -0.22391 0.13250 47 2S 0.12130 -0.27501 -0.14233 0.22030 -0.16899 48 5 H 1S 0.05590 -0.07753 -0.13084 0.19735 0.09742 49 2S -0.00645 -0.02475 0.05275 -0.07348 -0.05367 50 6 H 1S 0.09929 -0.23543 -0.06946 0.05226 -0.25420 51 2S 0.02064 0.07935 -0.01165 0.02406 0.07357 52 7 C 1S -0.01827 -0.02582 -0.03254 0.02717 -0.02061 53 2S -0.06682 -0.25111 -0.27869 0.25671 -0.26119 54 2PX 0.09552 -0.13688 -0.07168 0.13930 -0.10113 55 2PY -0.00921 0.02460 -0.00767 -0.00478 -0.00790 56 2PZ 0.01300 0.03527 0.00880 0.02707 0.02221 57 3S 0.58408 1.94069 1.93198 -1.81760 1.38253 58 3PX -0.06690 -0.31232 0.12080 1.01800 0.01636 59 3PY 0.06925 0.92714 0.82345 -0.91050 0.47380 60 3PZ 0.08955 -0.09535 0.11538 -0.12280 0.10691 61 4XX -0.13484 0.10146 0.00909 -0.03900 -0.00145 62 4YY 0.34581 0.22242 0.25592 -0.32471 0.13330 63 4ZZ -0.21629 -0.22317 -0.22293 0.30698 -0.10145 64 4XY 0.15437 0.01099 -0.01014 0.29705 -0.15349 65 4XZ -0.12412 -0.01740 -0.07293 -0.05219 -0.02773 66 4YZ 0.03076 0.00419 0.04877 0.06822 0.02783 67 8 C 1S -0.00047 -0.00215 0.03346 -0.00062 0.01261 68 2S -0.05172 -0.06644 0.26636 0.05842 0.15234 69 2PX -0.02566 0.16155 -0.00058 0.02743 -0.03450 70 2PY -0.00265 0.03150 0.01978 -0.00916 -0.01763 71 2PZ 0.01603 0.00940 -0.05202 0.02959 0.00178 72 3S 0.11639 0.00426 -1.75179 -0.00411 -0.99723 73 3PX 0.55951 0.31691 0.08520 0.06434 -0.04048 74 3PY -0.30801 0.20300 0.18862 0.38040 0.17902 75 3PZ -0.20663 0.54788 -0.35390 -0.10953 -0.09827 76 4XX -0.15203 -0.09867 -0.19053 0.10150 0.06641 77 4YY -0.25735 0.37977 0.23821 -0.08245 0.13276 78 4ZZ 0.41015 -0.28007 -0.06313 -0.06895 -0.20587 79 4XY 0.08938 0.05216 0.13563 -0.12697 0.07261 80 4XZ 0.07439 0.38042 -0.13455 0.10674 0.03683 81 4YZ 0.18647 -0.25958 0.08925 0.07288 -0.07350 82 9 C 1S 0.00603 0.04446 -0.05071 -0.00456 -0.04040 83 2S 0.01165 0.30584 -0.26450 -0.18798 -0.39903 84 2PX 0.09266 -0.02508 -0.06545 0.01085 -0.03966 85 2PY -0.00239 0.01279 0.04923 -0.00359 -0.00607 86 2PZ 0.02952 0.07576 -0.06912 0.03074 -0.00241 87 3S 0.19264 -1.88837 2.08321 0.72436 2.15004 88 3PX -0.01385 -0.26951 0.50586 0.19101 0.93487 89 3PY 0.50713 -0.79065 0.43783 0.02387 0.38462 90 3PZ 0.39272 0.25892 -0.48271 0.05976 -0.45161 91 4XX -0.03585 -0.17365 0.14462 0.16398 0.34779 92 4YY -0.31130 0.33204 -0.19595 0.11360 -0.17766 93 4ZZ 0.34928 -0.14305 0.01559 -0.25226 -0.16084 94 4XY 0.09309 -0.12679 0.20073 0.10996 0.10014 95 4XZ -0.03321 0.07627 0.12466 0.12611 -0.08355 96 4YZ 0.36805 0.07161 -0.03810 0.14058 -0.08470 97 10 C 1S 0.00066 -0.01742 0.03991 -0.01182 -0.02103 98 2S 0.11512 -0.04408 0.05216 -0.05511 -0.17808 99 2PX -0.06149 -0.07505 0.10964 0.07565 0.14915 100 2PY -0.02006 0.01416 -0.13024 0.05518 0.12030 101 2PZ 0.02061 0.04748 0.01555 0.01077 -0.03593 102 3S 0.00236 0.40111 -0.52241 0.90806 1.11594 103 3PX 0.74965 -1.27843 1.34582 0.92664 2.04415 104 3PY -0.22850 -0.02331 -0.00247 -0.13134 0.73263 105 3PZ -0.16163 0.22333 -0.18949 -0.15673 -0.36542 106 4XX 0.07653 0.13532 -0.00498 0.17885 -0.02145 107 4YY -0.02214 -0.01943 -0.07513 0.05209 0.18489 108 4ZZ -0.07558 -0.15372 0.20879 -0.20881 -0.14036 109 4XY 0.01245 0.03828 -0.02493 0.02062 -0.09275 110 4XZ 0.16501 0.27074 0.22383 0.38422 -0.17227 111 4YZ 0.18481 0.00413 -0.43053 -0.16828 0.10268 112 11 C 1S -0.00210 -0.00569 -0.00542 0.00849 0.03692 113 2S -0.03723 -0.02163 0.00493 0.04544 0.23985 114 2PX 0.01091 -0.01756 -0.02365 -0.00372 -0.00264 115 2PY -0.01136 -0.00620 -0.04158 0.04323 0.11308 116 2PZ 0.05050 0.04176 0.00692 0.02283 -0.01120 117 3S 0.17379 0.17386 0.06877 -0.30524 -1.49657 118 3PX -0.04547 0.09031 0.01374 -0.17496 -0.04146 119 3PY -0.03613 -0.00966 -0.10697 0.21065 0.72250 120 3PZ 0.13259 0.12002 0.00985 0.11111 -0.01727 121 4XX 0.24256 -0.12879 0.08901 0.11720 0.35010 122 4YY 0.00738 0.05969 0.11099 -0.18771 -0.41844 123 4ZZ -0.23415 0.04964 -0.20821 0.07349 0.09120 124 4XY 0.19327 -0.25144 0.30164 0.11653 0.21683 125 4XZ -0.25546 -0.37523 0.07607 -0.18738 0.10284 126 4YZ 0.38710 0.34097 -0.38723 0.03745 -0.03855 127 12 H 1S -0.20729 0.16762 -0.17242 -0.02849 -0.16956 128 2S 0.08179 -0.13995 0.04107 0.06065 0.13098 129 13 H 1S 0.36058 0.21436 0.00190 0.09745 0.04385 130 2S -0.13663 -0.10478 0.00769 -0.01630 0.00989 131 14 H 1S -0.16295 -0.39278 0.27891 -0.10857 0.18064 132 2S -0.01147 0.13415 -0.08415 -0.01247 -0.03266 133 15 C 1S 0.00134 -0.01528 0.03473 0.01778 0.01708 134 2S 0.05217 -0.08198 0.30906 0.16031 0.09524 135 2PX 0.09287 -0.04144 -0.08254 0.00316 0.05515 136 2PY 0.00920 -0.00413 0.06891 0.00790 -0.04180 137 2PZ -0.01879 -0.01654 -0.05394 -0.05918 0.01352 138 3S -0.68465 0.91695 -1.55374 -1.11999 -1.01812 139 3PX -0.30102 0.17124 -0.13217 0.33825 0.48087 140 3PY -0.53249 0.60183 -0.90770 -0.60445 -0.95009 141 3PZ -0.00900 -0.10009 0.05028 -0.13481 -0.07775 142 4XX -0.02223 -0.01148 -0.00997 0.13703 0.21348 143 4YY -0.01774 0.15631 -0.08891 -0.21774 -0.49542 144 4ZZ 0.01330 -0.15063 0.15258 0.07771 0.20561 145 4XY 0.02893 -0.08877 0.06619 0.02488 0.05806 146 4XZ -0.11081 0.06281 0.42104 0.22437 -0.11122 147 4YZ -0.12096 -0.16698 -0.15472 -0.26253 0.05590 148 16 C 1S 0.00226 0.00206 -0.02674 0.00170 0.03279 149 2S -0.00712 -0.00085 -0.03638 -0.01448 0.08010 150 2PX -0.01172 0.00443 -0.11160 0.00755 0.09060 151 2PY 0.00405 -0.01185 -0.01925 -0.00587 0.01519 152 2PZ 0.03000 -0.03313 -0.08626 -0.08167 0.02761 153 3S 0.40486 -0.42270 0.83832 0.14624 -0.21134 154 3PX -0.14220 0.14039 -0.37351 0.00054 0.28095 155 3PY 0.06193 -0.00433 0.29907 0.17912 -0.04984 156 3PZ 0.09024 -0.02576 -0.10282 -0.06351 -0.00144 157 4XX -0.04031 -0.06467 0.02381 -0.00258 0.19001 158 4YY -0.03534 0.03923 0.07603 -0.05656 -0.33235 159 4ZZ 0.08472 0.03982 -0.17497 0.05373 0.19606 160 4XY -0.00090 -0.00738 0.00870 -0.01989 -0.10009 161 4XZ -0.08289 -0.03909 0.01196 -0.06213 0.02050 162 4YZ 0.08012 -0.05902 -0.29397 -0.18199 0.15217 163 17 O 1S 0.00068 -0.00089 0.00128 0.00316 0.00448 164 2S 0.04367 -0.05105 0.02368 0.02913 0.16380 165 2PX -0.01068 0.01554 0.00554 0.00978 -0.04898 166 2PY -0.01891 0.00132 0.08032 -0.01123 -0.16799 167 2PZ 0.01757 -0.00447 -0.03003 -0.00936 0.02612 168 3S -0.11497 0.12116 -0.30523 -0.17914 -0.16958 169 3PX 0.02370 -0.02938 0.16562 0.00245 -0.13573 170 3PY 0.02111 -0.00940 -0.02036 0.06385 0.18120 171 3PZ -0.05984 0.04432 0.14799 0.10859 -0.05441 172 4XX 0.07092 -0.04386 -0.17234 0.03489 0.30251 173 4YY 0.00110 0.02847 0.07996 -0.05202 -0.21472 174 4ZZ -0.05176 -0.00289 0.05651 0.04225 0.05662 175 4XY 0.00984 -0.06695 -0.05342 -0.01905 0.16218 176 4XZ 0.06802 -0.03586 -0.18944 -0.14362 0.02598 177 4YZ 0.02936 -0.08830 -0.28151 -0.23401 0.10286 178 18 H 1S 0.01222 0.02145 -0.01591 0.02372 0.00754 179 2S -0.00181 0.02376 0.07510 0.00324 -0.11580 180 19 H 1S -0.08939 -0.04103 0.02144 0.10424 0.23390 181 2S -0.13700 0.19943 -0.25018 -0.12839 -0.37972 182 20 H 1S -0.34178 0.17830 -0.03273 0.03200 0.00713 183 2S -0.11305 0.07696 0.00585 -0.09390 0.02763 184 21 H 1S 0.34518 -0.17575 0.03205 -0.09652 -0.01322 185 2S -0.02364 -0.06858 -0.02186 -0.03546 0.07916 186 22 H 1S -0.26140 0.40204 0.05635 0.00586 0.19444 187 2S -0.13009 0.04432 0.06775 -0.00463 0.01988 188 23 H 1S 0.25319 -0.35439 -0.07313 0.01091 -0.09864 189 2S -0.02355 0.23642 0.19916 -0.25121 0.16209 190 24 H 1S -0.29075 -0.11369 -0.18643 0.19467 -0.11967 191 2S 0.10163 0.26873 0.27747 -0.30065 0.12190 192 25 H 1S 0.04572 -0.02213 -0.00167 -0.12708 0.03595 193 2S -0.02545 -0.07657 -0.06125 0.13688 -0.04639 194 26 H 1S -0.09643 0.10576 -0.06228 0.18195 0.16081 195 2S 0.02459 -0.01987 0.05763 -0.05556 -0.03873 196 27 H 1S -0.10120 -0.07125 0.01464 -0.03032 -0.19150 197 2S -0.00250 0.08564 -0.00540 -0.01991 0.08025 171 172 173 174 175 V V V V V Eigenvalues -- 2.42101 2.44553 2.48163 2.49421 2.52854 1 1 C 1S -0.00211 0.00339 -0.00141 0.00171 -0.00202 2 2S -0.01587 0.00718 -0.00460 0.07437 -0.08942 3 2PX -0.00472 -0.00217 -0.02222 0.01864 -0.04508 4 2PY 0.00083 -0.00216 -0.00028 0.02269 -0.02897 5 2PZ -0.02906 -0.00556 0.01479 -0.02350 0.00769 6 3S 0.19676 0.03063 -0.06692 -0.13467 0.14898 7 3PX 0.05252 -0.05405 0.03871 -0.07426 0.07336 8 3PY 0.08159 0.01794 -0.05020 -0.04936 0.06867 9 3PZ -0.00799 0.02018 0.04497 -0.04723 -0.03111 10 4XX 0.12129 0.06984 -0.26345 -0.00544 -0.15514 11 4YY 0.09900 -0.16640 0.45566 0.03904 0.24009 12 4ZZ -0.22529 0.10642 -0.21140 -0.05073 -0.07570 13 4XY 0.02618 -0.04865 0.04866 -0.00714 0.00221 14 4XZ 0.55009 0.10567 -0.08122 0.01075 0.02821 15 4YZ 0.03472 0.01553 0.06431 -0.12751 -0.02019 16 2 C 1S 0.00068 -0.01380 0.04798 0.04865 -0.03284 17 2S -0.03334 -0.07579 0.15920 0.01267 0.02561 18 2PX 0.04408 -0.10410 0.17607 -0.00782 0.06442 19 2PY -0.07637 0.02273 -0.21506 -0.18021 0.09466 20 2PZ 0.02625 0.02726 0.00008 -0.05950 -0.02411 21 3S 0.30220 -0.00968 -0.40038 -1.13080 1.43876 22 3PX 0.51396 -0.07693 0.30381 -0.15549 0.53659 23 3PY -0.14628 0.40577 -1.16966 -0.56102 0.01900 24 3PZ -0.09014 0.01676 -0.07039 0.01287 -0.12524 25 4XX 0.21267 0.06345 0.02493 -0.07237 -0.15272 26 4YY -0.00189 0.01043 -0.13674 -0.33335 0.36264 27 4ZZ -0.15549 -0.13309 0.32331 0.48854 -0.17674 28 4XY 0.04194 -0.01990 0.17337 0.09749 0.13672 29 4XZ 0.48148 0.03978 0.24519 -0.33744 -0.08690 30 4YZ 0.26186 0.05952 -0.25175 0.30105 0.03817 31 3 C 1S -0.00326 0.01029 -0.04139 -0.03969 0.02558 32 2S -0.02230 0.02252 -0.12528 -0.09150 0.02379 33 2PX 0.00823 -0.01188 0.03225 0.02693 -0.02141 34 2PY 0.00293 0.03122 -0.13308 -0.16564 0.13608 35 2PZ 0.04649 0.00834 -0.00051 -0.01104 -0.00034 36 3S 0.08300 -0.39314 1.37579 1.05904 -0.52074 37 3PX -0.01213 -0.02628 0.13018 0.11192 -0.09891 38 3PY -0.13381 0.16660 -0.69927 -0.58377 0.33330 39 3PZ 0.10430 0.01754 -0.00488 -0.12878 0.02519 40 4XX -0.11649 -0.00431 -0.09857 -0.20763 0.21796 41 4YY 0.09448 -0.06839 0.42632 0.46173 -0.31255 42 4ZZ 0.01672 0.09876 -0.40564 -0.31906 0.13368 43 4XY 0.16355 -0.05723 0.19198 -0.09220 0.32379 44 4XZ -0.41769 -0.04050 -0.02914 0.01984 -0.01626 45 4YZ 0.27486 0.06099 -0.17628 0.19590 -0.02974 46 4 H 1S -0.08896 0.06025 -0.21174 0.01018 -0.14853 47 2S 0.11867 0.00581 0.04137 -0.04526 0.06848 48 5 H 1S 0.33776 0.02768 0.05449 0.03670 0.01950 49 2S -0.11037 -0.00591 -0.01385 -0.07067 -0.00940 50 6 H 1S -0.23006 -0.05411 0.12975 0.04412 0.01032 51 2S 0.08975 0.02565 -0.06734 0.03307 -0.00826 52 7 C 1S 0.01414 -0.00610 0.03004 0.01879 -0.00313 53 2S 0.13027 0.00857 0.15077 -0.02010 0.14089 54 2PX 0.04125 0.03939 -0.16545 -0.17096 0.09416 55 2PY -0.00813 -0.01025 0.01980 -0.03353 0.09189 56 2PZ -0.05475 -0.01141 0.00128 0.09549 -0.00808 57 3S -0.85320 0.01246 -0.89004 -0.42131 -0.34009 58 3PX 0.11502 -0.58799 0.86347 -0.43570 1.10502 59 3PY -0.26438 0.07194 -0.16327 -0.07877 -0.25146 60 3PZ -0.10587 0.07320 -0.18392 0.10862 -0.15066 61 4XX -0.06765 0.07578 -0.26558 -0.35980 0.02069 62 4YY 0.05091 -0.04023 0.31903 0.20374 -0.04250 63 4ZZ 0.01809 -0.08478 0.08610 0.20431 0.06700 64 4XY 0.02213 -0.11677 0.22384 -0.16618 0.35547 65 4XZ 0.16970 -0.04977 0.35158 -0.37996 -0.07313 66 4YZ -0.30461 -0.04545 -0.07320 0.20661 -0.02853 67 8 C 1S -0.01393 -0.00587 -0.00504 -0.05013 0.03234 68 2S -0.01619 -0.03537 0.08644 -0.06588 0.16849 69 2PX -0.01182 0.00276 -0.03130 -0.00637 0.05471 70 2PY -0.02318 0.03223 -0.03393 -0.05975 0.04813 71 2PZ 0.02898 0.02628 0.01697 0.12736 -0.02269 72 3S 0.41765 0.47332 -0.33214 1.22312 -1.24849 73 3PX 0.03935 -0.02212 -0.10618 -0.25443 0.23947 74 3PY -0.14267 -0.48492 0.32342 -0.29079 0.44801 75 3PZ -0.04047 -0.00879 0.03804 0.41808 -0.21576 76 4XX -0.05937 0.01687 -0.07589 0.26583 -0.38591 77 4YY -0.15285 -0.23094 0.26503 -0.26156 0.42285 78 4ZZ 0.19164 0.21329 -0.21282 -0.08366 -0.02725 79 4XY 0.01067 -0.01209 0.24466 0.15095 -0.14544 80 4XZ -0.08961 -0.02868 0.15629 0.07326 0.03842 81 4YZ 0.08311 0.04014 -0.09333 -0.33316 -0.05084 82 9 C 1S 0.00534 0.01979 -0.00456 0.02197 -0.01999 83 2S 0.13650 0.06698 -0.04820 0.06866 -0.07191 84 2PX 0.03763 0.01807 -0.05147 0.12995 0.03281 85 2PY 0.00659 -0.03938 0.01584 0.01135 0.02766 86 2PZ -0.02136 0.03391 0.01113 0.05134 -0.03144 87 3S -0.48945 -0.77989 0.19502 -0.71006 0.80956 88 3PX -0.22994 -0.38346 0.10379 0.15229 0.11443 89 3PY 0.08931 0.07062 -0.06151 -0.06349 0.19293 90 3PZ 0.18076 0.30088 -0.11144 0.28169 -0.26642 91 4XX -0.15186 -0.12204 -0.05768 -0.01289 0.21055 92 4YY 0.03213 -0.21448 -0.11507 0.12104 -0.34816 93 4ZZ 0.09963 0.36920 0.17326 -0.02984 0.13711 94 4XY 0.06637 -0.20340 -0.03828 0.02664 -0.08079 95 4XZ -0.08139 -0.16901 -0.10717 -0.32921 -0.14361 96 4YZ 0.02430 0.27450 0.09625 0.07813 -0.04881 97 10 C 1S 0.02780 -0.03059 -0.00776 0.01537 0.03294 98 2S 0.11633 0.03994 -0.01002 0.00198 -0.11025 99 2PX -0.02049 -0.15634 -0.04569 0.01173 -0.02338 100 2PY -0.11372 0.16830 0.13910 -0.07573 -0.01542 101 2PZ 0.00444 0.05031 0.02960 0.00873 0.01816 102 3S -0.73061 -0.38123 -0.07605 -0.45133 -1.04055 103 3PX -0.38073 -1.03598 -0.18373 -0.19908 0.14411 104 3PY -0.64389 0.65175 0.43616 -0.35549 0.10424 105 3PZ 0.04720 0.14442 -0.03508 -0.04527 0.02569 106 4XX -0.05532 0.03089 -0.08533 -0.07507 -0.02974 107 4YY -0.13002 0.08406 0.09528 -0.08120 -0.16373 108 4ZZ 0.22311 -0.26873 -0.01159 0.13972 0.20465 109 4XY 0.00928 -0.04426 0.15638 -0.23809 -0.34556 110 4XZ -0.02852 0.01259 -0.07279 -0.04321 -0.09689 111 4YZ -0.03777 -0.36133 -0.12261 -0.03601 0.00669 112 11 C 1S -0.02519 0.01802 0.01478 -0.01813 -0.01149 113 2S -0.14218 0.05752 0.08253 -0.08063 0.05888 114 2PX -0.00018 0.00194 0.00314 0.00314 -0.04336 115 2PY -0.08705 0.04803 0.04839 -0.05799 -0.11030 116 2PZ 0.00055 -0.02281 -0.01849 -0.00320 0.00365 117 3S 0.98369 -0.46584 -0.45275 0.54915 0.17451 118 3PX -0.01200 0.09641 0.14923 -0.06798 0.11777 119 3PY -0.51097 0.35142 0.30554 -0.35503 -0.16808 120 3PZ 0.00546 -0.00220 0.05551 0.02782 -0.03059 121 4XX -0.10634 -0.17267 0.15665 -0.18271 -0.22486 122 4YY 0.27852 -0.19419 -0.24650 0.24875 0.31164 123 4ZZ -0.18999 0.39992 0.09232 -0.08567 -0.11280 124 4XY 0.04957 -0.34909 0.00818 -0.10098 -0.12444 125 4XZ 0.03878 0.07218 0.04325 0.03680 0.03326 126 4YZ -0.07149 -0.24221 -0.09785 -0.07891 -0.04189 127 12 H 1S -0.03539 0.24950 -0.05707 0.06998 0.08502 128 2S -0.00421 -0.16764 -0.06884 0.01626 -0.07385 129 13 H 1S -0.01886 -0.26962 -0.04003 -0.06850 0.02099 130 2S -0.00091 0.13352 0.07475 0.06652 -0.02042 131 14 H 1S 0.04846 -0.03297 0.06171 0.01321 0.05859 132 2S -0.04015 -0.04705 -0.05600 -0.02428 0.02191 133 15 C 1S 0.00709 -0.05304 -0.02676 0.00853 0.00583 134 2S 0.06921 -0.41937 -0.07198 -0.02322 -0.10882 135 2PX -0.02096 0.04596 -0.00494 0.00017 -0.08244 136 2PY 0.02899 -0.03688 0.06630 -0.06289 -0.10131 137 2PZ 0.00795 -0.06501 -0.00170 0.00418 0.02377 138 3S -0.33767 2.39780 1.12130 -0.33605 -0.16474 139 3PX -0.22133 -0.20774 0.24543 -0.23784 -0.70872 140 3PY 0.03788 1.07299 0.33990 0.05847 0.12051 141 3PZ 0.06456 0.06508 -0.00678 0.06613 0.14026 142 4XX -0.17425 0.32359 0.19994 -0.17240 -0.14332 143 4YY 0.20039 0.09162 0.00709 0.11695 0.04078 144 4ZZ 0.01928 -0.46095 -0.19386 0.02566 -0.00001 145 4XY 0.03222 -0.11157 0.04332 -0.09406 -0.32251 146 4XZ 0.05409 0.06920 -0.06806 0.07170 0.05153 147 4YZ 0.04283 -0.04307 0.02500 0.06768 0.09891 148 16 C 1S -0.02518 0.03944 0.02208 -0.01015 -0.00249 149 2S -0.05467 0.06764 0.06155 -0.02474 -0.00364 150 2PX -0.08127 0.12797 0.09305 -0.08520 -0.07881 151 2PY -0.01561 0.03537 0.02069 -0.01805 0.00086 152 2PZ 0.01007 -0.12575 -0.02437 -0.00813 0.02516 153 3S 0.44939 -1.00421 -0.79865 0.41556 0.74406 154 3PX -0.29124 0.47555 0.46038 -0.30334 -0.43058 155 3PY 0.14589 -0.50336 -0.13442 -0.00117 -0.22812 156 3PZ 0.02808 -0.18641 -0.09750 0.02770 0.08073 157 4XX -0.06769 -0.02707 -0.14595 0.12908 0.45177 158 4YY 0.18426 -0.18341 -0.00315 -0.03567 -0.31517 159 4ZZ -0.16706 0.30713 0.17036 -0.07921 -0.07864 160 4XY 0.04386 -0.01417 0.13091 -0.16312 -0.24603 161 4XZ 0.00005 0.04068 0.07742 -0.04081 -0.05322 162 4YZ -0.04348 -0.23417 -0.03037 -0.03897 0.08582 163 17 O 1S -0.00256 -0.00013 0.00067 -0.00257 0.00047 164 2S -0.04038 -0.07360 -0.10309 0.10440 0.23342 165 2PX 0.01512 -0.00326 0.04256 -0.05489 -0.12546 166 2PY 0.09757 -0.08575 0.01444 -0.04445 -0.16354 167 2PZ -0.00990 -0.01448 -0.01302 0.01108 0.03033 168 3S -0.06259 0.46010 0.24045 -0.11421 -0.18393 169 3PX 0.13209 -0.20208 -0.17041 0.14207 0.13076 170 3PY -0.10018 0.06825 -0.00057 0.00516 0.13683 171 3PZ -0.00939 0.20682 0.04884 0.00794 -0.04441 172 4XX -0.18231 0.14493 0.10284 -0.11073 0.04782 173 4YY 0.14937 -0.22257 -0.08779 0.06480 -0.07769 174 4ZZ -0.04408 0.12020 -0.02965 0.06465 0.15254 175 4XY -0.06137 -0.03134 0.01903 -0.04343 0.06054 176 4XZ 0.01863 -0.21234 -0.04793 -0.00423 0.03372 177 4YZ -0.00645 -0.25735 -0.01231 -0.05630 0.04493 178 18 H 1S -0.02013 0.05776 0.09694 -0.08307 -0.12420 179 2S 0.08890 -0.16696 -0.11315 0.07694 0.02035 180 19 H 1S -0.10392 -0.07890 -0.03916 -0.02097 0.03219 181 2S 0.07809 0.23312 0.09363 0.02090 -0.04450 182 20 H 1S -0.06651 -0.32352 -0.15732 -0.07031 -0.09860 183 2S -0.01499 0.00545 0.14336 0.01247 0.05586 184 21 H 1S 0.03755 0.25573 0.09180 -0.02038 0.19310 185 2S -0.00217 -0.01507 -0.09437 0.00023 -0.12647 186 22 H 1S -0.18479 -0.14219 0.22326 0.14571 0.11026 187 2S -0.02343 -0.05009 0.00386 -0.02207 0.00149 188 23 H 1S 0.12579 0.19584 -0.18604 0.08164 -0.26479 189 2S -0.10441 0.07295 -0.05761 -0.05873 0.08422 190 24 H 1S -0.01649 0.02329 -0.14877 -0.11979 0.01285 191 2S -0.02561 0.02340 0.07890 0.01692 -0.02395 192 25 H 1S -0.06146 0.10968 -0.28568 -0.02027 -0.14168 193 2S 0.03488 -0.04666 0.07492 -0.05188 0.12395 194 26 H 1S 0.27279 -0.02790 0.06776 0.08865 0.04475 195 2S -0.14425 -0.02123 -0.00877 -0.00044 -0.00932 196 27 H 1S -0.23790 -0.10343 0.19851 -0.02085 0.02090 197 2S 0.12061 0.02729 -0.02688 -0.00321 -0.01878 176 177 178 179 180 V V V V V Eigenvalues -- 2.57307 2.59448 2.64837 2.66452 2.71343 1 1 C 1S 0.01654 0.02525 -0.01118 -0.00191 -0.05265 2 2S 0.01033 0.01190 -0.01438 0.00184 -0.00012 3 2PX -0.07757 -0.10389 0.03216 0.01312 0.19654 4 2PY -0.04442 -0.06692 0.02112 0.00544 0.11359 5 2PZ 0.00343 0.01272 -0.00794 -0.00305 -0.03980 6 3S -0.48970 -0.47873 0.18274 0.09484 0.93407 7 3PX -0.22157 -0.28300 0.12367 0.02969 0.55484 8 3PY -0.08890 -0.00294 -0.01756 0.02991 0.08316 9 3PZ -0.01659 0.09190 -0.04592 0.01168 -0.10643 10 4XX -0.13011 -0.22576 0.04133 0.02600 0.27467 11 4YY 0.10647 0.09473 0.03502 -0.04218 -0.10055 12 4ZZ 0.05843 0.18730 -0.10459 0.01246 -0.30809 13 4XY -0.12263 -0.15974 0.06531 0.01066 0.34082 14 4XZ 0.10371 0.04011 0.00724 -0.01992 -0.12517 15 4YZ -0.06553 0.03800 -0.03593 0.01062 -0.07510 16 2 C 1S -0.04066 -0.07142 0.02881 0.00021 0.07960 17 2S 0.00026 -0.12916 0.07644 -0.01489 0.19023 18 2PX -0.00083 -0.01644 -0.01463 0.00710 0.00078 19 2PY 0.04145 0.00552 0.04090 -0.01590 0.18904 20 2PZ -0.06243 0.01510 -0.02150 0.01265 -0.01027 21 3S 1.23784 2.37092 -0.99120 -0.04269 -3.00866 22 3PX -0.06416 0.50676 -0.33282 0.09797 -0.76739 23 3PY -0.10804 0.05587 0.07264 0.07394 0.62571 24 3PZ 0.01164 -0.09052 0.07829 -0.02160 0.15258 25 4XX -0.08921 0.10807 -0.17434 0.05019 -0.51833 26 4YY 0.21189 0.28033 -0.00599 -0.03325 0.09366 27 4ZZ -0.16981 -0.45746 0.21865 -0.01552 0.50486 28 4XY 0.16076 0.08538 0.07877 -0.06653 -0.22788 29 4XZ -0.33513 -0.14385 0.01756 0.02560 0.18233 30 4YZ 0.26251 -0.07096 0.09705 -0.03997 0.08579 31 3 C 1S 0.01666 0.02842 -0.00696 0.00009 -0.00252 32 2S 0.00674 -0.00371 -0.01493 0.00678 0.01186 33 2PX -0.00598 -0.01700 -0.00069 -0.00059 -0.00487 34 2PY 0.08582 0.14166 -0.03322 -0.00298 -0.01535 35 2PZ -0.00952 0.01964 -0.00943 0.00588 -0.00110 36 3S -0.32758 -0.71576 0.25112 -0.05481 0.18259 37 3PX -0.06637 -0.17809 0.10803 -0.01555 0.23409 38 3PY 0.24215 0.39351 -0.04136 -0.00932 0.00886 39 3PZ -0.04135 -0.03661 -0.01594 -0.00433 -0.05214 40 4XX 0.10733 0.16080 -0.00410 -0.00970 0.05547 41 4YY -0.21418 -0.27047 0.03330 0.01697 -0.07188 42 4ZZ 0.13958 0.17965 -0.04607 -0.00664 -0.01681 43 4XY 0.13033 0.13213 0.03816 -0.03458 -0.06998 44 4XZ 0.01207 0.04673 -0.01763 0.00562 -0.01169 45 4YZ 0.13111 -0.07005 0.05453 -0.02181 0.03403 46 4 H 1S -0.01971 -0.00258 -0.03261 0.01364 -0.03943 47 2S -0.01104 0.04549 -0.10433 0.02667 -0.14422 48 5 H 1S -0.01077 -0.04770 0.01897 -0.00347 -0.00558 49 2S -0.03224 -0.03067 -0.00404 0.00113 0.02147 50 6 H 1S -0.04013 0.01251 -0.00538 0.00867 -0.00631 51 2S 0.03182 0.01898 -0.00306 0.00610 0.02943 52 7 C 1S 0.01394 0.03347 -0.02046 0.00101 -0.08312 53 2S 0.02828 0.11972 0.02658 -0.01836 -0.24920 54 2PX 0.05760 0.11580 -0.05796 0.02666 -0.00726 55 2PY 0.01096 0.00597 0.06394 -0.01956 0.13531 56 2PZ 0.01607 -0.02056 0.02210 -0.00750 0.00402 57 3S -0.51057 -1.75654 0.91734 -0.10636 3.51243 58 3PX 0.30576 0.16438 -0.05666 -0.11796 -0.06274 59 3PY -0.14454 -0.73556 0.38749 -0.03675 1.18251 60 3PZ -0.04940 -0.12493 -0.00877 0.00811 -0.00903 61 4XX -0.18250 -0.08743 0.02728 0.02392 0.28700 62 4YY -0.02244 -0.04593 0.04870 -0.00154 0.16646 63 4ZZ 0.28166 0.21145 -0.08685 -0.03340 -0.49534 64 4XY 0.10010 0.07437 0.02669 -0.00101 0.04089 65 4XZ -0.40270 0.12055 -0.24426 0.08546 -0.29073 66 4YZ 0.03683 0.01870 -0.03488 0.00523 -0.00079 67 8 C 1S 0.00958 -0.06371 0.04359 -0.02291 0.04469 68 2S 0.04367 -0.05352 0.04831 -0.01026 0.25422 69 2PX 0.00269 0.09430 -0.02327 0.04508 0.15537 70 2PY -0.01620 -0.07489 0.06495 -0.00967 0.05169 71 2PZ -0.02137 0.15844 -0.09055 0.05931 0.00519 72 3S -0.34464 1.61030 -1.10287 0.57193 -1.77543 73 3PX -0.24008 -0.00121 0.02649 0.13942 1.02418 74 3PY 0.27773 -0.07528 -0.04050 -0.15121 -0.01633 75 3PZ 0.20182 0.63471 -0.23917 0.11288 -0.06076 76 4XX -0.22689 0.04733 -0.25707 0.07394 -0.48635 77 4YY 0.17990 -0.26901 0.26453 -0.16858 0.13214 78 4ZZ 0.07237 0.07935 0.10054 0.02243 0.37744 79 4XY -0.04460 -0.10076 0.01827 -0.01599 -0.22083 80 4XZ -0.23784 0.50113 -0.30156 0.18554 0.17650 81 4YZ -0.17582 -0.27781 0.02608 -0.01587 -0.09898 82 9 C 1S -0.02320 0.06787 -0.00581 0.02320 0.03219 83 2S -0.06416 0.00993 0.03671 0.02698 -0.16692 84 2PX 0.00963 0.04403 -0.08370 0.01379 -0.10489 85 2PY 0.05181 -0.06437 -0.00376 -0.02480 -0.07593 86 2PZ -0.03621 0.17477 -0.06437 0.05023 0.07801 87 3S 0.30844 -1.56210 0.10802 -0.53080 -0.22202 88 3PX 0.22683 0.17135 -0.45910 -0.00242 -0.03840 89 3PY -0.41375 -0.12948 0.27875 0.01148 0.12525 90 3PZ -0.31853 0.45156 -0.26126 0.31306 -0.03327 91 4XX -0.08653 -0.29186 -0.13975 -0.07086 -0.32377 92 4YY 0.08714 0.42832 -0.15354 0.11942 0.27425 93 4ZZ -0.01712 0.03589 0.30218 -0.00769 0.19102 94 4XY -0.01095 0.09836 -0.09669 0.02474 -0.11007 95 4XZ -0.01913 -0.55003 0.23389 -0.13690 -0.17420 96 4YZ -0.23544 0.16030 -0.11179 0.17685 -0.03252 97 10 C 1S 0.03960 -0.05561 -0.09343 0.00161 -0.01290 98 2S 0.17393 -0.10537 -0.12309 0.01212 0.10277 99 2PX -0.00190 0.13237 0.10165 -0.03078 -0.00207 100 2PY 0.05670 -0.05614 0.00434 -0.01141 -0.14224 101 2PZ 0.02227 -0.01503 -0.00610 0.06834 -0.01279 102 3S -1.85195 2.46731 2.86605 0.08473 0.61390 103 3PX -1.09615 0.50675 0.73595 0.00713 0.32150 104 3PY 0.83252 -0.62432 0.26211 -0.36032 -0.48864 105 3PZ 0.21770 -0.19553 -0.04735 0.00669 0.07920 106 4XX -0.28479 0.09589 -0.02159 0.16494 0.28793 107 4YY 0.06516 0.15010 0.52374 -0.13263 -0.23854 108 4ZZ 0.32469 -0.26884 -0.62359 -0.05367 -0.03839 109 4XY 0.22213 -0.02472 -0.16087 0.00196 0.08784 110 4XZ 0.00043 -0.32092 -0.11766 0.20012 -0.29027 111 4YZ -0.08111 -0.05747 -0.04271 -0.35195 -0.03342 112 11 C 1S 0.00133 0.01199 0.05443 -0.01093 -0.01176 113 2S 0.07654 -0.01382 -0.01455 -0.01264 0.09527 114 2PX 0.00617 0.00698 0.01391 -0.00357 -0.02964 115 2PY -0.00148 0.07964 0.24033 -0.04238 -0.08764 116 2PZ -0.01185 -0.00762 0.00343 0.01090 0.00498 117 3S -0.13479 -0.23294 -1.29288 0.31550 0.20206 118 3PX 0.27931 -0.04492 0.02211 -0.10119 -0.01187 119 3PY 0.08630 0.16447 0.67064 -0.15876 -0.06478 120 3PZ 0.01114 0.01991 -0.09735 0.06806 -0.06419 121 4XX 0.07820 0.16995 0.18661 -0.07664 -0.03846 122 4YY -0.10778 -0.19053 -0.39453 0.07529 0.07055 123 4ZZ -0.01446 0.04373 0.36047 -0.02272 -0.08922 124 4XY -0.02643 0.06536 -0.21366 0.03566 0.16333 125 4XZ 0.01975 0.06449 0.01509 -0.05023 0.04653 126 4YZ -0.01993 -0.11521 0.00880 -0.13734 -0.06459 127 12 H 1S -0.05060 -0.07745 0.06541 0.02658 -0.03419 128 2S -0.12922 0.06293 0.04285 0.03115 -0.01159 129 13 H 1S -0.00089 -0.03843 -0.05883 -0.01818 0.01563 130 2S 0.06373 0.00888 -0.02020 0.02176 -0.08353 131 14 H 1S 0.02057 0.08744 -0.02461 -0.00539 0.08676 132 2S 0.01807 -0.04678 0.06329 -0.04851 -0.00437 133 15 C 1S -0.06603 0.04456 0.04191 0.00805 0.02033 134 2S -0.22393 0.25976 0.21677 0.01679 0.01876 135 2PX -0.03058 0.15040 0.33380 -0.07489 -0.05790 136 2PY 0.13822 -0.06035 -0.11147 0.00922 -0.02666 137 2PZ 0.01784 -0.00919 -0.06367 0.01720 0.01836 138 3S 3.41344 -2.24917 -2.26881 -0.38033 -0.64308 139 3PX 0.56407 0.48268 -0.30656 0.00971 0.50910 140 3PY 1.26760 -0.96119 -1.04687 -0.09235 -0.36660 141 3PZ -0.08228 -0.05945 0.04803 -0.09844 -0.11203 142 4XX 0.33084 -0.13460 -0.17658 0.14042 0.02621 143 4YY 0.15240 -0.17552 -0.08969 -0.01359 -0.16233 144 4ZZ -0.43259 0.33461 0.28424 -0.11748 0.16178 145 4XY 0.23472 0.21320 0.07023 -0.07589 0.22886 146 4XZ -0.13202 0.06560 0.22070 0.48733 -0.01869 147 4YZ -0.01254 0.07460 -0.04980 -0.18773 0.01482 148 16 C 1S 0.03901 -0.02249 -0.01997 -0.00441 -0.01276 149 2S 0.10868 -0.08097 -0.09319 -0.00876 -0.02110 150 2PX 0.19836 -0.07773 -0.15394 0.02929 0.03314 151 2PY 0.02702 -0.04237 -0.03465 0.01423 -0.04143 152 2PZ 0.00871 -0.01367 0.06792 0.14212 -0.01199 153 3S -2.06743 0.58980 1.05808 0.23176 -0.06886 154 3PX 1.09125 -0.31873 -0.67999 -0.05630 0.15201 155 3PY -0.37034 0.47996 0.47008 0.05653 0.06334 156 3PZ -0.14700 0.01365 0.13488 0.20805 -0.03695 157 4XX -0.41232 -0.11679 -0.19622 0.29354 0.09827 158 4YY 0.19677 0.16685 0.36147 -0.04624 -0.16134 159 4ZZ 0.23269 -0.10988 -0.16771 -0.24960 -0.03495 160 4XY 0.35046 -0.09418 -0.32425 0.17415 0.22649 161 4XZ 0.25378 -0.03844 0.16326 0.45165 -0.07363 162 4YZ 0.10697 -0.09763 0.18419 0.65118 -0.08256 163 17 O 1S -0.00408 0.00029 -0.00203 0.00141 0.00156 164 2S -0.29912 0.02134 0.07346 0.04975 -0.07744 165 2PX 0.10641 0.02496 -0.00301 -0.01808 0.02779 166 2PY 0.10814 0.04335 -0.00926 -0.01329 0.04741 167 2PZ -0.03122 -0.00441 -0.00189 -0.00953 -0.00548 168 3S 0.71426 -0.31336 -0.32031 -0.12989 0.03416 169 3PX -0.35949 0.14234 0.28712 -0.04746 -0.14863 170 3PY -0.14432 -0.04105 -0.08709 0.03966 -0.00214 171 3PZ -0.00338 0.01908 -0.12892 -0.35300 0.04753 172 4XX 0.08873 -0.15390 -0.32121 0.15532 0.16355 173 4YY -0.06618 0.17767 0.41371 -0.01087 -0.14671 174 4ZZ -0.13026 -0.05294 -0.10841 -0.12754 -0.02630 175 4XY 0.05471 -0.08662 -0.21892 0.18079 0.16707 176 4XZ 0.03196 -0.02675 0.13308 0.25578 -0.07204 177 4YZ 0.17267 -0.09268 0.17785 0.68407 -0.06687 178 18 H 1S 0.17746 -0.03926 -0.17305 0.01745 0.10515 179 2S -0.23179 0.16143 0.30363 -0.00222 -0.10483 180 19 H 1S -0.14784 0.10018 0.05086 0.01990 0.05038 181 2S 0.30772 -0.14869 -0.21244 -0.00662 -0.07924 182 20 H 1S 0.11705 -0.11486 -0.02463 -0.08999 -0.05443 183 2S 0.10393 0.11837 -0.00231 -0.03550 0.02235 184 21 H 1S -0.15979 -0.10623 0.11794 -0.00025 -0.10272 185 2S -0.11763 0.15171 0.13454 0.02913 0.17175 186 22 H 1S 0.04101 0.14255 -0.04180 -0.00518 0.01390 187 2S 0.19951 -0.01406 0.02308 -0.05248 0.02486 188 23 H 1S -0.14985 -0.02904 -0.06710 0.07519 0.04164 189 2S 0.02930 -0.04324 0.22829 -0.04331 0.25868 190 24 H 1S 0.04923 0.04704 -0.01852 -0.00378 -0.13578 191 2S -0.00569 -0.15015 0.06825 -0.00990 0.15880 192 25 H 1S -0.03808 -0.01422 -0.03563 0.02128 0.00201 193 2S 0.07150 0.11813 -0.02827 -0.01100 -0.10344 194 26 H 1S 0.06219 -0.04993 0.04516 -0.02162 0.03948 195 2S 0.00493 -0.01014 -0.00263 -0.00347 -0.00287 196 27 H 1S -0.05162 0.00227 -0.00431 0.00191 0.02758 197 2S 0.00621 0.00478 0.00265 0.00165 0.00339 181 182 183 184 185 V V V V V Eigenvalues -- 2.79906 2.87708 2.89043 2.94119 3.05617 1 1 C 1S 0.03267 -0.01076 0.00231 -0.00497 0.03003 2 2S -0.00720 0.02256 -0.01013 0.01924 -0.16497 3 2PX -0.12952 0.05288 0.00109 0.02519 -0.16972 4 2PY -0.07273 0.02561 -0.01252 0.01507 -0.10013 5 2PZ 0.01809 -0.01072 -0.00019 -0.00473 0.03306 6 3S -0.58789 0.14528 -0.03357 0.07637 -0.46125 7 3PX -0.32400 0.08602 -0.01259 0.03310 -0.13603 8 3PY -0.09574 0.07541 0.15997 -0.00097 -0.23984 9 3PZ 0.05889 -0.01388 0.00502 -0.00582 0.02347 10 4XX -0.18560 0.13334 0.21590 -0.00136 -0.04470 11 4YY 0.11540 -0.12648 -0.25039 0.00661 0.03506 12 4ZZ 0.14900 -0.03300 0.06052 -0.02428 0.12727 13 4XY -0.20781 0.05473 -0.08530 0.04764 -0.31579 14 4XZ 0.09217 -0.03475 -0.03459 -0.00528 0.03543 15 4YZ 0.02310 -0.01334 0.01497 -0.00874 0.06082 16 2 C 1S -0.02892 -0.00621 -0.03659 0.00308 0.03583 17 2S -0.11293 0.12836 0.22737 -0.00757 -0.05379 18 2PX -0.06880 0.20675 0.50892 -0.03235 -0.18915 19 2PY -0.07382 -0.07628 -0.30345 0.03584 0.01247 20 2PZ -0.00935 -0.04359 -0.09876 0.00671 0.03924 21 3S 1.20022 0.10856 1.63971 -0.24494 -0.94888 22 3PX 0.18897 0.22186 1.09347 -0.12630 -0.64578 23 3PY -0.33482 -0.11682 -0.91827 0.22586 -0.77982 24 3PZ 0.02698 -0.05121 -0.22551 0.02362 0.10342 25 4XX 0.21130 0.13846 0.75826 -0.13110 0.47168 26 4YY -0.11820 -0.07862 -0.49689 0.11023 -0.62263 27 4ZZ -0.12486 -0.05799 -0.25380 0.01594 0.22914 28 4XY 0.35319 -0.36739 -0.63979 -0.01691 0.65386 29 4XZ -0.11741 -0.06807 -0.24584 0.03337 -0.05546 30 4YZ 0.00481 0.09033 0.13206 0.00269 -0.13385 31 3 C 1S -0.00839 0.00082 -0.01640 0.00672 -0.05170 32 2S -0.00531 0.01641 0.07920 -0.01231 0.14672 33 2PX 0.00589 0.00784 0.02992 -0.00449 0.02043 34 2PY -0.03463 -0.00962 -0.11572 0.03549 -0.24452 35 2PZ -0.00328 -0.00166 -0.00492 0.00141 -0.00325 36 3S 0.09303 0.02903 0.35082 -0.14804 0.92092 37 3PX -0.08243 -0.01759 -0.17538 0.02234 0.06252 38 3PY -0.04676 -0.03038 -0.29263 0.08606 -0.49904 39 3PZ -0.02020 -0.00124 0.02673 -0.00520 -0.01140 40 4XX -0.05705 -0.01318 -0.17065 0.04545 -0.29865 41 4YY 0.10762 -0.01757 0.15474 -0.05784 0.35237 42 4ZZ -0.05998 0.03152 -0.02944 0.03038 -0.25959 43 4XY 0.10376 -0.13225 -0.26926 0.00954 0.06121 44 4XZ 0.00875 0.01007 0.03121 -0.00358 0.00890 45 4YZ 0.01786 0.03161 0.05207 -0.00226 -0.01450 46 4 H 1S -0.00403 0.05205 0.14159 -0.01055 -0.01167 47 2S 0.01766 -0.01005 0.07580 -0.01202 0.03853 48 5 H 1S 0.01409 -0.02056 -0.03144 -0.00056 0.02711 49 2S -0.03789 0.01038 0.00113 0.00480 -0.02609 50 6 H 1S 0.01992 -0.02126 -0.02978 -0.00077 0.02755 51 2S -0.01806 0.01737 0.00865 0.00676 -0.02419 52 7 C 1S 0.04746 0.00426 0.03466 -0.00208 -0.08265 53 2S 0.32702 -0.17537 -0.26789 0.00276 0.01950 54 2PX -0.09942 0.22574 0.51446 -0.02861 -0.07617 55 2PY -0.00628 -0.10099 -0.27927 0.02000 0.07021 56 2PZ 0.03600 -0.05271 -0.10455 0.00275 0.00811 57 3S -2.06114 -0.02585 -1.50038 0.17074 2.14686 58 3PX -0.40110 0.33998 1.43534 -0.27507 0.86308 59 3PY -0.56812 0.05570 -0.54478 0.06892 0.82119 60 3PZ -0.09384 -0.06535 -0.26010 0.05483 -0.11821 61 4XX -0.11115 -0.17749 -0.36397 -0.01876 0.81215 62 4YY -0.14213 0.12332 0.05305 0.05136 -0.66495 63 4ZZ 0.28056 0.05794 0.26920 -0.01916 -0.38394 64 4XY -0.06519 0.27962 0.83198 -0.10458 0.27556 65 4XZ -0.12283 -0.00073 0.12981 0.00086 -0.24824 66 4YZ -0.03678 -0.05966 -0.16015 0.01879 -0.04255 67 8 C 1S -0.00969 0.00441 0.01930 -0.00753 0.05815 68 2S -0.24478 0.04432 -0.04352 0.00169 -0.09686 69 2PX -0.06807 0.03957 0.07446 -0.01041 0.26217 70 2PY 0.02133 -0.00879 0.00815 -0.01314 0.11183 71 2PZ -0.06802 0.01778 -0.02646 0.01915 -0.01843 72 3S 1.12464 -0.29395 -0.54981 0.22531 -1.51574 73 3PX -0.79601 0.20345 0.10394 -0.01837 0.90445 74 3PY -0.15142 0.00582 0.43046 -0.10823 0.33890 75 3PZ 0.14495 0.04930 -0.05161 0.05765 -0.08143 76 4XX 0.11801 -0.18191 -0.23507 0.02093 -0.22779 77 4YY 0.04746 0.05315 0.30441 -0.06210 0.09843 78 4ZZ -0.10434 0.13337 -0.01111 0.03488 0.33693 79 4XY 0.13309 -0.02510 0.01200 0.00894 -0.45582 80 4XZ -0.36486 0.03844 0.01914 0.01733 0.19261 81 4YZ -0.03716 -0.05916 -0.04078 0.00204 0.05215 82 9 C 1S 0.05490 0.01042 0.00059 -0.00563 0.00017 83 2S 0.18216 -0.02595 0.00837 0.09519 -0.08642 84 2PX -0.26237 -0.01080 -0.04529 0.07578 0.04176 85 2PY -0.03490 0.00158 0.00619 0.02678 -0.01780 86 2PZ -0.01847 0.01100 -0.01068 -0.00771 0.04759 87 3S -2.06788 -0.05593 0.03105 -0.05742 0.50713 88 3PX -1.30361 0.04987 0.00591 0.07701 0.44612 89 3PY -0.33021 -0.03421 0.00610 -0.06420 0.04847 90 3PZ 0.12767 0.04514 -0.13476 0.04725 -0.07993 91 4XX -0.54792 -0.22551 -0.00575 0.00735 0.04733 92 4YY 0.24545 0.22081 -0.09613 0.01146 0.07662 93 4ZZ 0.36556 0.05289 0.11032 -0.06146 -0.09267 94 4XY -0.34243 0.17040 -0.10336 0.15685 0.10234 95 4XZ 0.39165 -0.04734 -0.01199 -0.03722 -0.15427 96 4YZ -0.04615 -0.06644 -0.01641 -0.02471 -0.01845 97 10 C 1S -0.07395 0.02006 -0.01483 -0.00077 0.02485 98 2S -0.31113 -0.18903 0.02948 -0.02634 0.11429 99 2PX -0.17107 -0.34990 0.11400 -0.09082 -0.03480 100 2PY -0.08368 0.34407 -0.10414 0.15797 0.06018 101 2PZ 0.03684 0.07309 -0.01202 0.01642 -0.00656 102 3S 2.74430 -0.72565 0.51008 -0.73350 -1.02685 103 3PX -1.03765 -0.38130 0.20941 -0.35489 0.26984 104 3PY -0.96929 0.85490 -0.36448 0.78117 0.47753 105 3PZ 0.14117 0.04725 -0.02290 0.06315 0.06131 106 4XX 0.57706 -0.41186 0.15899 -0.40753 -0.16278 107 4YY -0.25732 0.21697 -0.05071 0.34440 0.02658 108 4ZZ -0.37623 0.16973 -0.08990 -0.00282 0.12796 109 4XY 0.37389 0.78818 -0.26323 0.21493 0.09059 110 4XZ -0.16445 0.05842 -0.10692 0.09090 -0.00175 111 4YZ -0.02305 -0.15206 0.04633 -0.04332 -0.02675 112 11 C 1S -0.00702 0.02364 -0.00575 0.01806 0.00155 113 2S -0.08706 -0.11145 0.07981 0.02122 0.06740 114 2PX 0.03673 -0.01046 -0.00553 0.04023 -0.02458 115 2PY -0.00561 0.14216 -0.04622 0.13554 -0.00014 116 2PZ -0.00352 0.00162 -0.00402 -0.00138 0.00613 117 3S 0.28179 -0.39441 0.05514 -0.59105 -0.17421 118 3PX -0.07218 0.21158 -0.02837 0.05124 0.06512 119 3PY -0.16369 0.27213 -0.03917 0.20587 0.10719 120 3PZ -0.01209 -0.00813 0.01252 -0.02973 -0.04846 121 4XX -0.01734 0.28593 -0.08075 0.13140 0.02618 122 4YY 0.07219 -0.25824 0.05355 -0.22001 -0.05382 123 4ZZ -0.01962 0.06207 -0.01938 0.08316 -0.01310 124 4XY 0.09530 0.12462 -0.04310 -0.07186 0.03639 125 4XZ 0.00283 -0.00134 0.00420 0.00114 0.00094 126 4YZ -0.01070 -0.02162 -0.00153 0.01971 -0.00335 127 12 H 1S 0.01184 -0.12735 0.03141 -0.06700 -0.03053 128 2S 0.05000 -0.07476 0.01436 0.16006 -0.01283 129 13 H 1S -0.03066 0.02913 0.00169 -0.00243 0.03192 130 2S 0.01271 -0.01934 0.00503 0.02047 -0.06416 131 14 H 1S -0.00968 0.03376 0.00564 -0.00277 0.02697 132 2S 0.00302 -0.00965 0.00085 0.02091 0.01735 133 15 C 1S 0.05107 -0.01151 0.01112 -0.00530 -0.01873 134 2S 0.05487 0.28272 -0.07930 -0.05197 0.05009 135 2PX -0.21076 -0.39078 0.13233 -0.14035 -0.04062 136 2PY -0.00633 0.30752 -0.11705 0.09642 0.06002 137 2PZ 0.03585 0.07515 -0.02035 0.02671 0.01265 138 3S -1.66604 0.28426 -0.40638 0.63037 0.61220 139 3PX 0.06637 -1.09553 0.38074 -0.88003 -0.19854 140 3PY -0.34956 0.20563 -0.13688 0.61599 0.16289 141 3PZ 0.00848 0.22676 -0.07261 0.14870 0.00027 142 4XX -0.20095 -0.06565 -0.02809 -0.26867 0.07654 143 4YY 0.03525 0.26137 -0.08066 0.34684 -0.03655 144 4ZZ 0.27858 -0.13996 0.09474 -0.03580 -0.09039 145 4XY -0.10444 -0.77430 0.26089 -0.28506 -0.10460 146 4XZ 0.07155 -0.03255 0.01262 0.05255 -0.03382 147 4YZ 0.02001 0.17049 -0.03609 0.05116 0.02288 148 16 C 1S -0.04300 0.01115 -0.01324 -0.05447 0.01014 149 2S -0.04016 0.37394 -0.23582 -0.99683 -0.09266 150 2PX -0.04723 0.06226 -0.09355 -0.61353 -0.03455 151 2PY -0.03130 0.36263 -0.23535 -1.00063 -0.06772 152 2PZ 0.00796 -0.03646 0.03022 0.16217 0.01002 153 3S 1.09534 1.32841 -0.44956 -0.79214 -0.29003 154 3PX -0.43423 -0.45350 0.07495 -0.47806 0.03621 155 3PY 0.25970 0.28892 -0.17230 -1.20784 -0.17528 156 3PZ 0.06543 0.03917 -0.00035 0.14209 0.00559 157 4XX 0.45483 0.21978 -0.01956 0.36710 -0.03821 158 4YY -0.34955 0.03978 -0.10940 -0.72528 0.00936 159 4ZZ -0.23297 -0.12810 0.05208 0.21529 0.08425 160 4XY 0.22997 -0.12619 0.02231 -0.24454 -0.11903 161 4XZ -0.18235 -0.08649 0.01390 -0.01355 0.02995 162 4YZ -0.04378 -0.02574 0.00731 0.10035 0.01943 163 17 O 1S 0.01156 0.02156 -0.01040 -0.02597 -0.00115 164 2S 0.05339 0.41089 -0.20459 -0.68633 -0.05009 165 2PX -0.01007 -0.03663 -0.00185 -0.13746 -0.01693 166 2PY 0.01631 -0.04633 -0.00657 -0.20476 -0.03859 167 2PZ 0.00158 0.00630 0.00231 0.03730 0.00601 168 3S -0.42599 -1.22597 0.66094 2.70989 0.28270 169 3PX -0.00511 0.45118 -0.23048 -0.76520 -0.04907 170 3PY 0.15225 0.60374 -0.33787 -1.36356 -0.13168 171 3PZ -0.00278 -0.08532 0.05465 0.20489 0.01629 172 4XX 0.25913 0.03043 -0.00747 -0.02395 -0.04954 173 4YY -0.21915 -0.24254 0.15680 0.75060 0.11790 174 4ZZ 0.03885 0.29744 -0.15487 -0.45807 -0.01947 175 4XY 0.17718 -0.38451 0.24171 0.96449 0.03700 176 4XZ -0.05932 0.06039 -0.04296 -0.14509 0.00213 177 4YZ -0.02957 0.07170 -0.06168 -0.25126 -0.01837 178 18 H 1S 0.08227 -0.10886 0.04751 0.04408 -0.03201 179 2S 0.00970 0.19107 -0.08359 -0.20745 -0.00390 180 19 H 1S 0.06297 0.01787 -0.00094 -0.06262 0.02025 181 2S 0.04835 -0.01108 0.01551 0.09175 -0.05180 182 20 H 1S 0.04298 0.00245 -0.02528 0.02799 0.02025 183 2S 0.01606 -0.01122 0.09416 -0.01419 0.01693 184 21 H 1S -0.04831 -0.06061 0.06141 0.00118 -0.05081 185 2S 0.07826 -0.03810 -0.04217 -0.03445 0.03051 186 22 H 1S -0.03026 -0.00179 0.07663 -0.02155 -0.03656 187 2S 0.02992 0.01983 -0.00534 0.00638 0.05310 188 23 H 1S -0.06137 -0.00508 -0.15239 0.03153 -0.00100 189 2S -0.02941 0.05308 -0.09909 0.01179 0.01268 190 24 H 1S 0.15082 -0.05619 -0.03712 -0.02137 0.22901 191 2S -0.10967 0.04779 -0.08785 0.03115 -0.00973 192 25 H 1S -0.03487 0.05252 0.09519 0.00327 -0.07085 193 2S 0.05025 0.00190 0.08223 -0.02084 -0.00771 194 26 H 1S 0.00763 -0.00751 -0.03528 0.00335 -0.01517 195 2S -0.01139 0.00584 0.01859 -0.00276 0.03001 196 27 H 1S -0.01641 -0.01044 -0.03522 0.00373 -0.01244 197 2S 0.01208 0.00769 0.01726 -0.00269 0.02324 186 187 188 189 190 V V V V V Eigenvalues -- 3.16345 3.91542 4.07812 4.10641 4.16163 1 1 C 1S -0.00096 -0.00022 -0.07200 0.18119 -0.13668 2 2S 0.02076 0.00779 0.49702 -1.13076 0.76204 3 2PX 0.00952 -0.00120 0.02000 -0.03943 0.01562 4 2PY 0.00634 -0.00042 0.00966 -0.02385 0.01071 5 2PZ -0.00294 -0.00012 -0.00368 0.00685 -0.00356 6 3S -0.00539 -0.02975 0.09557 -0.47681 0.67674 7 3PX -0.00996 -0.01058 -0.11116 0.15778 -0.00463 8 3PY 0.00952 -0.01167 -0.03998 0.06026 0.01426 9 3PZ 0.00175 0.00195 0.01924 -0.03276 0.00331 10 4XX -0.00503 -0.00302 -0.26871 0.63883 -0.47644 11 4YY 0.00119 -0.00257 -0.28349 0.68188 -0.49512 12 4ZZ -0.00558 -0.00233 -0.28990 0.72162 -0.53000 13 4XY 0.01959 -0.00170 0.02732 -0.06713 0.03513 14 4XZ 0.00056 -0.00014 -0.00474 0.01804 -0.01218 15 4YZ -0.00588 -0.00017 -0.00597 0.01091 -0.00606 16 2 C 1S -0.00445 -0.00090 -0.12272 0.26169 -0.12458 17 2S 0.00344 0.00610 0.75447 -1.61843 0.68617 18 2PX 0.01137 -0.00096 0.04666 -0.01010 -0.10637 19 2PY -0.00178 0.00465 -0.00839 -0.01686 0.03904 20 2PZ -0.00619 -0.00098 -0.01176 -0.00132 0.02296 21 3S 0.10041 0.00281 0.39759 -0.70889 0.51825 22 3PX 0.03599 -0.03873 -0.07675 0.09726 0.21875 23 3PY 0.05968 -0.01259 -0.05457 0.23980 -0.04457 24 3PZ 0.00912 0.01153 0.01682 0.00074 -0.03724 25 4XX -0.04008 -0.00700 -0.42483 0.98493 -0.52334 26 4YY 0.04560 -0.00272 -0.42459 0.92739 -0.41931 27 4ZZ -0.02192 -0.00250 -0.46852 1.00638 -0.47802 28 4XY -0.03759 0.00505 0.00871 -0.05048 0.07497 29 4XZ -0.00004 -0.00009 -0.01393 0.00645 0.01642 30 4YZ 0.01364 -0.00073 0.00064 0.00845 -0.01750 31 3 C 1S 0.00365 -0.00324 -0.09010 0.19481 -0.10276 32 2S -0.00718 0.02203 0.56639 -1.15955 0.59426 33 2PX 0.00025 0.00212 0.01224 -0.01279 -0.00731 34 2PY 0.01964 -0.00124 -0.03003 0.06799 -0.02031 35 2PZ -0.00040 -0.00040 -0.00373 0.00162 0.00215 36 3S -0.08397 0.01896 0.31401 -0.85728 0.43562 37 3PX -0.01110 0.00200 -0.02936 0.01101 0.00187 38 3PY 0.03573 0.00465 0.06011 -0.05909 0.06623 39 3PZ -0.00348 -0.00212 0.00886 -0.00378 -0.00283 40 4XX 0.02128 -0.01292 -0.36113 0.76567 -0.39592 41 4YY -0.02535 -0.01329 -0.30310 0.62591 -0.33775 42 4ZZ 0.01647 -0.01126 -0.34967 0.75862 -0.40748 43 4XY -0.00288 -0.00064 -0.01028 0.02007 0.00604 44 4XZ 0.00037 0.00041 0.00183 -0.00070 -0.00188 45 4YZ 0.00413 0.00068 0.00307 -0.00257 -0.00138 46 4 H 1S -0.00093 0.00135 0.04016 -0.06878 0.02797 47 2S 0.01026 -0.01060 -0.07561 0.19470 -0.15189 48 5 H 1S -0.00191 -0.00039 0.03058 -0.06481 0.03824 49 2S 0.00079 -0.00347 -0.09982 0.21796 -0.11534 50 6 H 1S -0.00001 0.00003 0.02945 -0.06312 0.03947 51 2S 0.00203 -0.00281 -0.10343 0.21389 -0.11400 52 7 C 1S 0.01421 0.00158 -0.12141 0.14855 0.09220 53 2S 0.01705 -0.01608 0.89373 -1.01946 -0.47960 54 2PX -0.00772 -0.00353 -0.01738 0.11336 -0.12922 55 2PY -0.01063 -0.00066 0.02715 -0.05706 0.03584 56 2PZ 0.00373 -0.00065 -0.00089 -0.01466 0.03114 57 3S -0.36916 0.02291 -0.05838 -0.28252 -0.41131 58 3PX -0.19102 0.00318 -0.08077 -0.29250 0.26097 59 3PY -0.09287 0.01634 -0.08804 -0.09626 -0.02189 60 3PZ -0.00282 -0.01104 0.01214 0.02457 -0.07078 61 4XX -0.08055 0.01272 -0.46979 0.50583 0.34909 62 4YY 0.05944 0.00392 -0.49295 0.57251 0.34162 63 4ZZ 0.06527 0.00900 -0.47170 0.56904 0.35402 64 4XY -0.04284 -0.00440 0.01149 0.03230 -0.10988 65 4XZ 0.00224 -0.00638 -0.01372 0.01049 0.01068 66 4YZ 0.00332 0.00005 0.00206 -0.00618 0.01351 67 8 C 1S -0.00594 0.00545 -0.13346 0.08508 0.19568 68 2S -0.01695 -0.02030 0.76543 -0.50355 -1.08407 69 2PX -0.02956 0.00443 0.00385 0.06000 -0.02739 70 2PY -0.00690 -0.00289 -0.00624 0.00309 0.00526 71 2PZ -0.01372 -0.00686 0.01820 -0.00151 -0.01262 72 3S 0.30239 -0.03854 0.56932 -0.15792 -0.78169 73 3PX -0.18658 -0.01683 -0.18528 -0.23865 0.15416 74 3PY -0.03090 0.04615 -0.06566 0.03793 0.02944 75 3PZ 0.05463 0.07359 0.01186 0.03247 0.06436 76 4XX 0.03470 0.00977 -0.44324 0.27751 0.70834 77 4YY -0.00684 0.01582 -0.50913 0.33392 0.72974 78 4ZZ -0.04847 0.02539 -0.47765 0.32183 0.70495 79 4XY 0.06368 -0.00174 0.02798 -0.02834 -0.00702 80 4XZ -0.06776 0.00431 0.01466 0.01102 -0.04200 81 4YZ -0.01642 0.00188 -0.02829 0.01078 0.04117 82 9 C 1S 0.02469 -0.00817 -0.14015 -0.00225 0.21595 83 2S -0.08838 0.02365 0.85473 0.06836 -1.13422 84 2PX -0.13919 0.00818 0.02216 0.03027 0.01129 85 2PY -0.03976 0.00645 0.01832 0.01118 -0.00738 86 2PZ 0.01396 -0.00004 -0.01793 0.01368 0.00970 87 3S -0.46759 0.04897 0.21625 -0.28205 -1.19015 88 3PX -0.26392 0.07454 -0.04439 -0.24352 -0.19447 89 3PY -0.25603 -0.25248 -0.10408 -0.18965 -0.15825 90 3PZ 0.03193 -0.01298 0.02369 -0.06079 0.02593 91 4XX -0.14872 -0.00398 -0.45879 -0.00682 0.74515 92 4YY 0.10869 -0.03673 -0.55762 -0.02369 0.79594 93 4ZZ 0.12466 -0.03068 -0.51465 -0.03502 0.76917 94 4XY -0.22164 -0.02307 0.01657 0.01475 -0.02186 95 4XZ 0.08775 -0.00712 0.01629 -0.02052 -0.03465 96 4YZ 0.02307 0.00087 -0.03551 0.00341 0.04197 97 10 C 1S 0.02531 0.00240 -0.21575 -0.08667 0.12932 98 2S -0.12591 0.05744 1.39785 0.56252 -0.62604 99 2PX -0.21092 -0.08489 0.02713 0.06743 0.11764 100 2PY 0.10550 0.05896 0.00520 -0.01190 -0.05231 101 2PZ 0.03900 0.01562 0.00496 -0.00664 -0.02780 102 3S -0.89791 -1.35223 -0.20102 -0.33397 -1.35014 103 3PX -0.85146 -0.74953 -0.55438 -0.75332 -0.96034 104 3PY -0.07221 0.83995 0.21847 0.16752 0.32041 105 3PZ 0.16937 0.11237 0.06746 0.12379 0.17922 106 4XX 0.50260 -0.08763 -0.80529 -0.31808 0.46008 107 4YY -0.62581 -0.02755 -0.78701 -0.31076 0.44382 108 4ZZ 0.17396 -0.00648 -0.83906 -0.33392 0.48358 109 4XY 0.35886 0.10305 0.06041 0.00445 -0.10057 110 4XZ -0.06481 0.01579 -0.01384 -0.00152 0.01879 111 4YZ -0.05945 -0.02725 -0.01055 -0.00778 0.01138 112 11 C 1S -0.03296 -0.01611 -0.16438 -0.06391 0.12037 113 2S 0.12360 0.05903 1.00834 0.35740 -0.75814 114 2PX -0.02592 0.00647 0.00067 0.01361 0.02356 115 2PY -0.14242 -0.00903 -0.06670 -0.03567 -0.00584 116 2PZ 0.01450 -0.02325 -0.00586 -0.00473 -0.01036 117 3S 0.37849 0.04534 0.65815 0.36233 -0.30451 118 3PX -0.04311 0.27826 0.11165 0.10203 0.10751 119 3PY -0.33185 0.18380 0.11385 0.03234 -0.06763 120 3PZ -0.04615 0.06637 0.01991 0.00221 0.00826 121 4XX -0.15268 -0.02852 -0.64999 -0.24865 0.47203 122 4YY 0.17914 -0.07659 -0.54445 -0.19806 0.43309 123 4ZZ -0.17736 -0.05198 -0.63425 -0.23687 0.49058 124 4XY 0.17767 -0.03390 0.00242 -0.01839 -0.04216 125 4XZ 0.01263 -0.00111 0.00277 0.00467 0.00232 126 4YZ -0.04560 0.01029 -0.00366 0.00011 0.00974 127 12 H 1S -0.01759 0.02496 0.07720 0.03234 -0.03588 128 2S 0.15588 -0.36670 -0.28800 -0.16406 0.02488 129 13 H 1S 0.00647 0.00105 0.04761 0.00903 -0.04921 130 2S -0.00582 0.04203 -0.13492 -0.05696 0.11668 131 14 H 1S 0.04656 -0.01048 0.04787 0.01403 -0.05779 132 2S 0.01129 -0.04448 -0.17570 -0.08331 0.10955 133 15 C 1S -0.08179 0.10718 -0.19968 -0.16420 -0.17582 134 2S 0.26548 -0.95917 1.21384 0.92275 0.80231 135 2PX 0.01093 -0.03732 -0.02518 0.02207 0.15377 136 2PY 0.10110 0.00949 0.04507 -0.00306 -0.09547 137 2PZ 0.00142 0.00445 0.00445 -0.00877 -0.03028 138 3S 1.54254 1.21197 1.12037 1.16326 1.69253 139 3PX 0.05702 -0.71878 -0.14756 -0.17722 -0.55277 140 3PY 0.66088 1.38585 0.72477 0.74675 1.05119 141 3PZ -0.01891 0.12348 0.03244 0.04207 0.08923 142 4XX 0.67622 0.47134 -0.63349 -0.52712 -0.54088 143 4YY -0.66391 0.51903 -0.73060 -0.59659 -0.64332 144 4ZZ -0.37286 0.46661 -0.75116 -0.61664 -0.65502 145 4XY -0.34221 -0.06347 -0.04624 -0.00349 0.07636 146 4XZ -0.22463 -0.01161 -0.03220 -0.02263 -0.02314 147 4YZ 0.06806 0.01959 0.01628 0.00368 -0.01583 148 16 C 1S 0.06693 0.15588 -0.15703 -0.14003 -0.20453 149 2S -0.84820 -1.26153 0.93484 0.79307 1.08241 150 2PX -0.03945 0.03150 -0.08867 -0.06576 -0.06819 151 2PY -0.34342 0.09557 -0.06400 -0.07100 -0.12909 152 2PZ 0.02835 -0.01268 0.01744 0.01474 0.01816 153 3S -1.43330 -2.41525 -0.61195 -0.54517 -0.51591 154 3PX -0.02385 -0.34763 0.00939 -0.02797 -0.18757 155 3PY -0.32827 -1.97692 -0.96535 -0.83914 -1.12999 156 3PZ 0.01965 0.14886 0.03866 0.03612 0.08573 157 4XX -0.22786 0.67628 -0.53872 -0.47803 -0.71985 158 4YY 0.29421 0.75943 -0.67694 -0.59145 -0.84225 159 4ZZ 0.46313 0.74339 -0.52926 -0.47234 -0.69102 160 4XY -0.77655 0.11453 -0.02378 -0.01911 -0.03994 161 4XZ 0.17681 0.00773 0.00440 0.00462 0.01151 162 4YZ 0.14621 -0.02563 0.01143 0.01020 0.01968 163 17 O 1S -0.00430 -0.49725 -0.14878 -0.13170 -0.17313 164 2S -0.19766 -0.42857 -0.14781 -0.13943 -0.20237 165 2PX -0.05992 0.16645 -0.01040 -0.00600 -0.00818 166 2PY -0.17991 0.26001 -0.02734 -0.01925 -0.02549 167 2PZ 0.02278 -0.05084 -0.00192 -0.00214 0.00095 168 3S 1.08124 6.13188 2.14943 1.91427 2.57197 169 3PX -0.11925 -0.72444 -0.32868 -0.29046 -0.38116 170 3PY -0.69240 -1.01124 -0.45570 -0.42846 -0.64209 171 3PZ 0.05537 0.20629 0.09928 0.08761 0.10586 172 4XX -0.31684 -1.62601 -0.47092 -0.41710 -0.54851 173 4YY 0.70838 -1.60536 -0.37113 -0.32157 -0.38950 174 4ZZ -0.14724 -1.68749 -0.50048 -0.44952 -0.60815 175 4XY 0.12440 0.11433 0.10420 0.09911 0.15043 176 4XZ 0.03029 -0.02788 -0.01808 -0.01647 -0.02158 177 4YZ -0.08282 -0.02585 -0.02621 -0.02584 -0.04029 178 18 H 1S -0.19168 -0.08598 0.03688 0.03451 0.04505 179 2S 0.22381 -0.20356 -0.34164 -0.27697 -0.34020 180 19 H 1S 0.27802 0.03100 0.14418 0.11592 0.10708 181 2S -0.05910 0.37807 0.04197 0.06263 0.07647 182 20 H 1S -0.00678 0.00955 0.08096 0.01269 -0.06933 183 2S 0.02213 0.03082 -0.14558 0.04818 0.23960 184 21 H 1S -0.06055 -0.01443 0.05638 -0.00920 -0.05724 185 2S -0.04017 -0.14089 -0.15361 -0.04417 0.15423 186 22 H 1S 0.00306 0.00719 0.06694 -0.01260 -0.07421 187 2S 0.02468 0.05276 -0.14915 0.12453 0.22087 188 23 H 1S 0.00363 -0.01124 0.05267 -0.05019 -0.06581 189 2S -0.04013 0.01048 -0.09049 0.04139 0.21493 190 24 H 1S -0.00085 -0.00004 0.06549 -0.08123 -0.02113 191 2S -0.00232 0.01117 -0.10240 0.06839 0.08142 192 25 H 1S 0.00602 0.00127 0.03625 -0.06470 0.03056 193 2S -0.00040 -0.00325 -0.05742 0.14561 -0.12689 194 26 H 1S 0.00361 0.00168 0.03595 -0.07637 0.03971 195 2S -0.00424 -0.00004 -0.08069 0.19930 -0.15193 196 27 H 1S 0.00147 0.00142 0.03525 -0.07816 0.04028 197 2S 0.00012 0.00106 -0.08171 0.20150 -0.14885 191 192 193 194 195 V V V V V Eigenvalues -- 4.24697 4.28095 4.30572 4.31701 4.46954 1 1 C 1S -0.18012 0.31339 0.14489 0.14381 0.09572 2 2S 0.97438 -1.65777 -0.82821 -0.82021 -0.65629 3 2PX -0.01669 0.03184 0.04274 0.04327 0.07066 4 2PY -0.00854 0.05042 0.01976 0.02421 0.03635 5 2PZ 0.00362 -0.00623 -0.00884 -0.00701 -0.01150 6 3S 1.17925 -1.91307 -0.93743 -0.88882 -0.47488 7 3PX 0.08195 -0.02796 -0.06507 -0.04660 -0.02964 8 3PY 0.05258 -0.13805 -0.01289 0.01234 0.10708 9 3PZ -0.02212 0.00394 0.02539 0.01112 -0.01060 10 4XX -0.67871 1.18525 0.59872 0.59477 0.48793 11 4YY -0.66881 1.16159 0.56830 0.56771 0.44497 12 4ZZ -0.68101 1.17429 0.54502 0.53973 0.35461 13 4XY -0.01126 0.03381 0.05146 0.05651 0.10163 14 4XZ -0.00056 -0.00262 -0.01136 -0.01128 -0.03007 15 4YZ 0.00070 -0.00685 -0.00649 -0.00886 -0.02265 16 2 C 1S -0.01041 0.01827 -0.08900 -0.09421 -0.22580 17 2S -0.11415 -0.16224 0.68152 0.62865 1.27086 18 2PX -0.18734 0.01064 0.12389 0.07981 -0.09199 19 2PY 0.05535 0.15232 -0.05180 -0.01839 0.02659 20 2PZ 0.03305 -0.00237 -0.01558 -0.01153 0.00649 21 3S 0.37258 -0.04369 0.13642 0.45723 1.75083 22 3PX 0.49453 -0.14274 -0.31876 -0.06297 0.56880 23 3PY 0.11371 -0.32947 -0.01337 -0.06891 -0.10045 24 3PZ -0.07678 0.03538 0.03068 -0.01128 -0.08403 25 4XX -0.06198 -0.10775 -0.38417 -0.42079 -1.03103 26 4YY 0.02700 0.27161 -0.40532 -0.36603 -0.94631 27 4ZZ -0.02566 0.06963 -0.35911 -0.37376 -0.84727 28 4XY 0.12765 -0.11082 -0.10155 -0.09193 0.01325 29 4XZ 0.01437 0.04206 0.00488 0.01005 0.03965 30 4YZ -0.02696 0.02092 0.01832 0.01673 -0.00165 31 3 C 1S -0.08066 -0.38943 0.09460 0.01204 0.06546 32 2S 0.49709 2.09951 -0.58472 -0.13044 -0.44641 33 2PX -0.02103 0.01383 0.01762 0.01031 -0.00081 34 2PY 0.01828 0.07784 -0.03861 -0.02203 -0.05240 35 2PZ -0.00002 -0.00242 -0.00125 -0.00374 -0.00847 36 3S 0.26612 2.33072 -0.46136 -0.01171 -0.51765 37 3PX -0.00484 -0.06741 -0.00352 -0.02505 -0.11543 38 3PY 0.08242 -0.08090 0.01426 0.03825 0.07157 39 3PZ 0.01363 0.01032 0.00212 0.01974 0.04790 40 4XX -0.31278 -1.42715 0.36464 0.05727 0.25329 41 4YY -0.32269 -1.53438 0.42685 0.10078 0.41184 42 4ZZ -0.32478 -1.46023 0.36540 0.05164 0.22231 43 4XY 0.02395 0.00523 -0.01421 -0.00191 0.02297 44 4XZ -0.00293 -0.00738 -0.00098 -0.00340 -0.00874 45 4YZ -0.00289 -0.00056 -0.00018 -0.00118 0.00034 46 4 H 1S 0.01754 0.07568 -0.01815 0.00526 -0.01588 47 2S -0.12834 -0.40279 0.08025 -0.04246 0.10071 48 5 H 1S 0.03356 0.05970 -0.02110 -0.00242 0.01372 49 2S -0.06798 -0.46081 0.07272 -0.01652 0.03530 50 6 H 1S 0.03269 0.05977 -0.02305 -0.00639 0.00892 51 2S -0.08622 -0.46081 0.07956 -0.02614 0.00232 52 7 C 1S 0.25777 0.09112 -0.20298 -0.12161 0.08645 53 2S -1.42293 -0.54105 1.16299 0.74460 -0.31071 54 2PX -0.06545 0.02950 -0.05215 -0.06239 -0.14514 55 2PY 0.05293 0.06007 -0.04333 -0.01079 0.07247 56 2PZ 0.02735 -0.00084 -0.00263 0.00589 0.03955 57 3S -1.34709 -0.45939 1.12256 0.52072 -0.94531 58 3PX 0.12516 -0.16157 -0.02015 0.12839 0.52321 59 3PY -0.24952 -0.09462 0.20621 -0.03258 -0.30094 60 3PZ -0.04804 0.01247 0.02943 0.01466 -0.11165 61 4XX 1.01312 0.33514 -0.87378 -0.57830 0.33138 62 4YY 0.94777 0.39636 -0.73910 -0.43651 0.34860 63 4ZZ 0.97578 0.34713 -0.77088 -0.46742 0.27494 64 4XY -0.08204 -0.03898 -0.03645 -0.05549 -0.13884 65 4XZ -0.00300 0.00121 0.03065 0.03731 -0.02579 66 4YZ 0.01783 0.00635 -0.00211 0.00996 0.04623 67 8 C 1S 0.16218 -0.03157 0.09374 0.15747 0.27193 68 2S -0.73636 0.17489 -0.62306 -0.82673 -1.31094 69 2PX 0.05662 -0.00024 -0.06510 -0.03995 0.02397 70 2PY 0.02244 0.01416 -0.00872 -0.01544 -0.03666 71 2PZ 0.00213 -0.00441 -0.00007 0.00731 0.05418 72 3S -0.83846 0.34192 -0.29517 -0.91588 -2.27464 73 3PX -0.25326 -0.08848 0.26058 -0.02904 -0.28839 74 3PY 0.02664 -0.08336 -0.12784 -0.06374 0.22351 75 3PZ -0.09232 0.00568 0.15703 0.01005 -0.21898 76 4XX 0.49772 -0.13367 0.46723 0.64684 1.02414 77 4YY 0.56299 -0.13205 0.39304 0.61314 0.95841 78 4ZZ 0.57748 -0.11163 0.33961 0.53874 1.07599 79 4XY -0.06441 -0.02014 0.09961 0.06989 -0.05030 80 4XZ -0.00053 0.00003 -0.06366 -0.05848 0.10922 81 4YZ 0.03845 0.00978 0.00486 0.00154 -0.04073 82 9 C 1S 0.05090 0.00006 0.19626 0.15579 -0.32085 83 2S -0.32638 0.00548 -0.85654 -0.88653 1.53188 84 2PX 0.06716 0.00417 -0.01289 0.05638 0.00261 85 2PY 0.02343 -0.00187 0.02211 0.01268 -0.04134 86 2PZ 0.00765 -0.00304 -0.00786 -0.00657 0.06469 87 3S -0.20620 -0.09230 -1.33536 -0.80244 2.61737 88 3PX -0.41040 -0.09254 0.10291 -0.04709 -0.16968 89 3PY 0.02951 -0.00107 -0.10256 0.17024 0.07092 90 3PZ -0.12200 0.03947 0.09795 -0.08950 -0.27345 91 4XX 0.25165 -0.01457 0.65507 0.69915 -1.21767 92 4YY 0.20485 -0.00761 0.70009 0.60643 -1.14435 93 4ZZ 0.17367 0.01139 0.67727 0.55420 -1.24107 94 4XY 0.06328 -0.01327 -0.00730 0.08796 0.01447 95 4XZ -0.03798 0.01569 -0.01936 -0.06445 -0.09591 96 4YZ 0.00794 -0.00074 0.02019 -0.00477 0.03795 97 10 C 1S -0.15072 0.02258 0.09149 -0.20283 -0.05712 98 2S 0.68770 -0.16881 -0.58009 1.21372 0.18631 99 2PX 0.01316 -0.00748 -0.00665 0.11451 -0.08427 100 2PY 0.10127 0.01861 0.12998 -0.08505 0.01639 101 2PZ 0.00666 0.00059 -0.00171 -0.00937 0.02808 102 3S 1.45161 -0.02235 -0.50661 1.40575 0.39909 103 3PX 0.17626 -0.07220 -0.20388 0.20491 0.29126 104 3PY -0.62242 -0.07140 -0.14483 -0.24607 0.11292 105 3PZ -0.04225 0.00825 0.02112 -0.07247 -0.05590 106 4XX -0.62633 0.10466 0.24530 -0.86707 -0.08759 107 4YY -0.40604 0.10700 0.47517 -0.74884 -0.33138 108 4ZZ -0.55554 0.08794 0.35522 -0.78141 -0.17503 109 4XY 0.03722 0.01074 0.04185 -0.12640 0.11793 110 4XZ 0.02170 -0.00121 0.03692 0.02554 -0.02452 111 4YZ -0.01312 -0.00090 -0.00747 0.02065 -0.04109 112 11 C 1S -0.28959 -0.02832 -0.29162 0.07033 0.08423 113 2S 1.58566 0.16250 1.56851 -0.46654 -0.35870 114 2PX 0.00388 0.00014 0.02328 0.00114 -0.02574 115 2PY 0.01551 0.00947 0.06868 -0.04798 -0.03620 116 2PZ 0.01410 -0.00025 -0.00038 0.00925 0.00824 117 3S 1.60231 0.19734 1.82912 -0.44072 -0.76140 118 3PX -0.06578 0.01563 -0.03755 -0.08038 0.08048 119 3PY -0.01861 -0.02409 -0.08608 0.05750 0.10866 120 3PZ -0.04879 -0.00280 -0.01434 -0.00986 -0.01882 121 4XX -1.08285 -0.10463 -1.07277 0.27110 0.28147 122 4YY -1.05268 -0.12439 -1.17276 0.38952 0.34613 123 4ZZ -1.10993 -0.10571 -1.08817 0.25619 0.29276 124 4XY 0.00703 -0.00612 -0.02548 0.02453 0.02150 125 4XZ -0.00289 0.00058 -0.00755 -0.00570 0.01414 126 4YZ -0.00816 0.00125 0.00504 -0.00962 -0.01418 127 12 H 1S 0.06505 0.00382 0.05361 -0.01168 -0.00997 128 2S -0.27517 -0.03921 -0.32059 0.12503 0.07711 129 13 H 1S 0.07029 0.00335 0.04606 0.00437 0.00237 130 2S -0.38499 -0.02640 -0.36087 -0.00197 0.10858 131 14 H 1S 0.07533 0.00229 0.03619 -0.00285 0.02777 132 2S -0.32114 -0.01839 -0.32839 0.03186 0.11306 133 15 C 1S 0.07274 0.02075 0.13303 -0.17793 0.10441 134 2S -0.22454 -0.13344 -0.85976 1.22656 -0.53280 135 2PX -0.10049 0.02486 0.09298 -0.16580 -0.03917 136 2PY 0.08897 -0.00168 0.03697 0.01032 0.04830 137 2PZ 0.01033 -0.00443 -0.01573 0.02690 -0.00522 138 3S -1.12638 -0.12220 -0.49603 0.34678 -0.76795 139 3PX 0.44580 -0.04321 -0.24946 0.51187 0.17162 140 3PY -0.64469 0.01914 0.04508 -0.46311 -0.10030 141 3PZ -0.04798 0.00832 0.04261 -0.06826 0.00562 142 4XX 0.14921 0.09833 0.62641 -0.97041 0.53795 143 4YY 0.30035 0.07612 0.52692 -0.63873 0.35278 144 4ZZ 0.25870 0.07969 0.51187 -0.69932 0.39356 145 4XY -0.06113 0.00281 -0.00721 -0.00862 -0.05003 146 4XZ 0.02420 -0.00379 -0.02120 0.05752 -0.03323 147 4YZ 0.01192 -0.00009 0.00251 0.00306 0.00819 148 16 C 1S 0.11260 -0.02791 -0.12250 0.24949 -0.06088 149 2S -0.57744 0.15319 0.70912 -1.39722 0.37810 150 2PX 0.02531 0.00301 0.02171 -0.02909 0.02704 151 2PY 0.09176 -0.01400 -0.05045 0.14214 -0.03783 152 2PZ -0.00978 -0.00013 -0.00374 -0.00224 0.00065 153 3S 0.34806 0.12078 0.54281 -0.60926 0.23142 154 3PX 0.11177 -0.05078 -0.19570 0.33720 -0.03295 155 3PY 0.70137 -0.03078 -0.17209 0.61747 0.01834 156 3PZ -0.06368 0.01073 0.04678 -0.09468 -0.01341 157 4XX 0.43137 -0.12370 -0.58786 1.15823 -0.34584 158 4YY 0.46809 -0.11410 -0.51010 1.04446 -0.27416 159 4ZZ 0.37209 -0.09970 -0.43565 0.87050 -0.21481 160 4XY 0.03881 -0.02078 -0.10774 0.19986 -0.08331 161 4XZ -0.01511 0.00583 0.03597 -0.06862 0.03435 162 4YZ -0.01678 0.00457 0.02326 -0.04610 0.01593 163 17 O 1S 0.09873 -0.00348 -0.01380 0.06774 0.00828 164 2S 0.13433 -0.00217 -0.01431 0.08848 0.01829 165 2PX 0.00013 -0.00630 -0.03075 0.04608 -0.01776 166 2PY 0.01273 -0.01364 -0.06852 0.11517 -0.04529 167 2PZ -0.00441 0.00128 0.00538 -0.01320 0.00534 168 3S -1.54068 0.05836 0.27009 -1.17167 -0.08023 169 3PX 0.23862 -0.00686 -0.03808 0.18443 -0.00163 170 3PY 0.42482 -0.03019 -0.11958 0.43163 -0.05548 171 3PZ -0.05212 0.00443 0.02396 -0.05956 0.00721 172 4XX 0.31252 -0.01227 -0.05077 0.22548 0.02201 173 4YY 0.20474 0.01437 0.07407 -0.03587 0.10202 174 4ZZ 0.35485 -0.01805 -0.07134 0.28446 0.00784 175 4XY -0.10070 0.00801 0.02928 -0.10742 0.02023 176 4XZ 0.00971 -0.00234 -0.01085 0.02018 -0.00367 177 4YZ 0.02789 -0.00321 -0.01179 0.03876 -0.01273 178 18 H 1S -0.01993 0.00564 0.01759 -0.04199 0.01829 179 2S 0.19453 -0.02161 -0.11417 0.28082 -0.05281 180 19 H 1S -0.05378 -0.00459 -0.03941 0.01131 0.00867 181 2S -0.05366 0.02870 0.07305 -0.26467 0.12763 182 20 H 1S -0.03461 -0.01204 -0.00877 -0.01459 0.00498 183 2S 0.08349 -0.00609 0.24973 0.14437 -0.36252 184 21 H 1S -0.01667 0.00604 -0.02737 -0.02398 -0.00213 185 2S 0.05844 -0.00456 0.17830 0.29134 -0.37471 186 22 H 1S -0.03999 -0.01412 -0.04641 0.00012 0.01419 187 2S 0.20641 -0.02851 0.10605 0.13074 0.34440 188 23 H 1S -0.04417 0.00631 -0.02406 -0.04015 -0.01696 189 2S 0.21858 0.04408 0.17713 0.26493 0.25843 190 24 H 1S -0.07775 -0.04684 0.05488 0.01566 -0.04976 191 2S 0.17678 0.02137 -0.14772 -0.15260 0.04606 192 25 H 1S 0.02855 -0.05231 -0.02317 -0.02420 -0.02093 193 2S -0.20254 0.26717 0.18422 0.19094 0.16469 194 26 H 1S 0.03175 -0.04688 -0.02250 -0.02070 -0.00495 195 2S -0.18820 0.39008 0.13419 0.14416 0.06301 196 27 H 1S 0.02935 -0.04713 -0.01812 -0.01908 -0.01038 197 2S -0.19028 0.39043 0.13913 0.14035 0.05425 196 197 V V Eigenvalues -- 4.55099 4.57107 1 1 C 1S -0.08201 0.07135 2 2S 0.54687 -0.45731 3 2PX -0.06078 0.05035 4 2PY -0.02613 0.01765 5 2PZ 0.01273 -0.01002 6 3S 0.49677 -0.45911 7 3PX 0.06052 -0.06580 8 3PY -0.00572 -0.00654 9 3PZ -0.01208 0.01355 10 4XX -0.42467 0.36078 11 4YY -0.36890 0.31210 12 4ZZ -0.29742 0.25714 13 4XY -0.06984 0.05201 14 4XZ 0.02954 -0.02371 15 4YZ 0.01370 -0.00941 16 2 C 1S 0.20018 -0.16763 17 2S -1.18135 0.97700 18 2PX 0.12269 -0.10492 19 2PY -0.05783 0.05581 20 2PZ -0.02347 0.02258 21 3S -1.40715 1.33631 22 3PX -0.22165 0.17801 23 3PY -0.07425 0.15091 24 3PZ 0.02299 -0.02585 25 4XX 0.95932 -0.80403 26 4YY 0.97364 -0.83085 27 4ZZ 0.72867 -0.60312 28 4XY -0.10831 0.11319 29 4XZ -0.05649 0.05039 30 4YZ 0.02221 -0.02403 31 3 C 1S -0.11332 0.10169 32 2S 0.66796 -0.58381 33 2PX -0.01549 0.01737 34 2PY 0.06739 -0.06051 35 2PZ -0.00124 0.00126 36 3S 0.95534 -0.90861 37 3PX 0.11971 -0.10568 38 3PY -0.04238 0.09836 39 3PZ 0.00067 -0.00092 40 4XX -0.42715 0.38161 41 4YY -0.60993 0.53191 42 4ZZ -0.39250 0.35551 43 4XY 0.00120 -0.00272 44 4XZ 0.00557 -0.00440 45 4YZ -0.00144 0.00045 46 4 H 1S 0.02817 -0.01043 47 2S -0.29933 0.22107 48 5 H 1S -0.00565 0.00356 49 2S -0.08017 0.06960 50 6 H 1S -0.01022 0.00787 51 2S -0.09955 0.08852 52 7 C 1S -0.16700 0.17100 53 2S 0.95794 -0.99075 54 2PX 0.09421 -0.07546 55 2PY -0.12079 0.12578 56 2PZ -0.02742 0.02001 57 3S 1.35786 -1.52529 58 3PX 0.05174 -0.18929 59 3PY 0.20022 -0.35847 60 3PZ 0.02879 0.01768 61 4XX -0.94510 0.95905 62 4YY -0.66611 0.66687 63 4ZZ -0.60007 0.62889 64 4XY 0.05204 -0.02923 65 4XZ 0.08167 -0.06817 66 4YZ -0.00673 -0.00243 67 8 C 1S 0.16392 -0.20795 68 2S -0.78247 1.16890 69 2PX -0.03135 0.05904 70 2PY -0.02812 0.04121 71 2PZ 0.01345 -0.05029 72 3S -1.45977 1.84387 73 3PX -0.05471 -0.23745 74 3PY -0.04996 0.00290 75 3PZ 0.01290 0.07341 76 4XX 0.69393 -0.93777 77 4YY 0.63570 -0.79583 78 4ZZ 0.56009 -0.83335 79 4XY 0.08320 -0.06119 80 4XZ -0.03041 -0.05031 81 4YZ -0.02618 0.05357 82 9 C 1S 0.03130 0.18397 83 2S -0.28266 -1.12975 84 2PX 0.02980 0.06240 85 2PY 0.00032 0.03298 86 2PZ 0.00424 -0.05001 87 3S 0.06702 -1.42783 88 3PX 0.04346 -0.12933 89 3PY 0.07793 -0.08984 90 3PZ -0.16312 0.06844 91 4XX 0.25004 0.89390 92 4YY 0.16531 0.70937 93 4ZZ 0.08318 0.75380 94 4XY 0.05056 0.02980 95 4XZ -0.07777 0.04968 96 4YZ -0.00606 -0.04937 97 10 C 1S -0.23074 -0.20673 98 2S 1.29752 1.24460 99 2PX -0.10711 -0.07649 100 2PY 0.08818 0.08490 101 2PZ 0.03608 0.01752 102 3S 1.61904 1.49383 103 3PX 0.28707 -0.05862 104 3PY 0.18953 0.07593 105 3PZ -0.08494 0.00261 106 4XX -1.02243 -0.99082 107 4YY -1.16147 -1.02636 108 4ZZ -0.82681 -0.76514 109 4XY 0.12525 0.07530 110 4XZ 0.04550 0.04942 111 4YZ -0.03036 -0.00169 112 11 C 1S 0.12676 0.09955 113 2S -0.70205 -0.61719 114 2PX -0.01028 0.01027 115 2PY -0.08151 -0.06739 116 2PZ 0.01366 0.00442 117 3S -1.18093 -0.86609 118 3PX -0.02278 -0.08229 119 3PY 0.20166 0.09724 120 3PZ -0.02667 -0.00086 121 4XX 0.47376 0.39317 122 4YY 0.65456 0.54939 123 4ZZ 0.43548 0.34777 124 4XY 0.05164 0.03622 125 4XZ -0.00592 -0.01470 126 4YZ -0.01728 -0.00392 127 12 H 1S -0.01935 -0.01192 128 2S 0.21301 0.20911 129 13 H 1S 0.01951 0.00217 130 2S 0.06869 0.09522 131 14 H 1S 0.01744 -0.01049 132 2S 0.11601 0.08810 133 15 C 1S 0.19793 0.14312 134 2S -1.13530 -0.88929 135 2PX -0.07044 -0.03983 136 2PY 0.16571 0.13696 137 2PZ 0.00858 0.01376 138 3S -1.50783 -1.06896 139 3PX -0.02052 -0.19373 140 3PY -0.26436 -0.08768 141 3PZ 0.02822 0.02298 142 4XX 1.09496 0.83284 143 4YY 0.81308 0.64446 144 4ZZ 0.71810 0.51075 145 4XY -0.14970 -0.13309 146 4XZ -0.08493 -0.07313 147 4YZ 0.02913 0.02603 148 16 C 1S -0.12174 -0.10245 149 2S 0.70517 0.55622 150 2PX 0.04495 0.03065 151 2PY -0.07800 -0.06918 152 2PZ -0.00073 -0.00045 153 3S 0.64469 0.55679 154 3PX -0.23134 -0.25857 155 3PY -0.05922 -0.13920 156 3PZ 0.03532 0.05879 157 4XX -0.67393 -0.53921 158 4YY -0.54021 -0.44416 159 4ZZ -0.41461 -0.34344 160 4XY -0.16160 -0.12336 161 4XZ 0.06359 0.04552 162 4YZ 0.03430 0.02744 163 17 O 1S 0.00400 -0.00768 164 2S 0.00946 -0.01393 165 2PX -0.03493 -0.02629 166 2PY -0.08137 -0.05961 167 2PZ 0.01322 0.01157 168 3S 0.04319 0.21319 169 3PX -0.01467 -0.02985 170 3PY -0.16352 -0.17472 171 3PZ 0.00647 0.00461 172 4XX 0.00816 -0.02637 173 4YY 0.16920 0.10519 174 4ZZ -0.03124 -0.06377 175 4XY 0.04540 0.04294 176 4XZ -0.00827 -0.00731 177 4YZ -0.02437 -0.02031 178 18 H 1S 0.02324 0.01343 179 2S -0.08967 -0.07748 180 19 H 1S -0.03093 -0.03834 181 2S 0.12018 0.11925 182 20 H 1S 0.00974 0.00101 183 2S 0.03400 0.16840 184 21 H 1S -0.02076 -0.01632 185 2S 0.07868 0.17574 186 22 H 1S 0.04296 0.00511 187 2S 0.19054 -0.21152 188 23 H 1S -0.02897 0.01044 189 2S 0.37156 -0.34210 190 24 H 1S 0.02982 -0.03522 191 2S -0.13721 0.06399 192 25 H 1S 0.01530 -0.01090 193 2S -0.09374 0.07996 194 26 H 1S 0.00110 -0.00094 195 2S -0.04520 0.04206 196 27 H 1S 0.00174 -0.00073 197 2S -0.05058 0.04465 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05082 2 2S -0.05314 0.30001 3 2PX 0.00018 0.00058 0.39464 4 2PY 0.00121 -0.00332 -0.00918 0.40025 5 2PZ -0.00001 -0.00017 0.00110 0.00175 0.39996 6 3S -0.18601 0.29114 0.05410 0.02864 -0.01041 7 3PX -0.00170 0.00063 0.19838 0.00205 -0.00238 8 3PY -0.00053 -0.00232 -0.00932 0.19192 0.00172 9 3PZ 0.00033 -0.00014 -0.00255 -0.00054 0.18522 10 4XX -0.01724 -0.00310 0.00210 0.01068 -0.00736 11 4YY -0.01819 -0.00063 0.00724 -0.02215 -0.00151 12 4ZZ -0.01847 -0.00022 -0.01474 0.00826 0.00988 13 4XY 0.00114 -0.00239 0.01222 0.00693 -0.00037 14 4XZ -0.00028 0.00065 -0.00812 -0.00045 -0.01898 15 4YZ -0.00021 0.00045 -0.00037 -0.00146 0.00982 16 2 C 1S 0.01250 -0.02296 -0.05919 -0.03586 0.01112 17 2S -0.02354 0.04059 0.12539 0.07371 -0.02359 18 2PX 0.05590 -0.10989 -0.22453 -0.13763 0.04906 19 2PY 0.03566 -0.06813 -0.14496 -0.07356 0.02716 20 2PZ -0.01052 0.02060 0.04909 0.02562 0.02762 21 3S 0.00356 0.00376 0.08047 0.07631 -0.01479 22 3PX 0.00851 -0.02523 -0.07246 -0.02313 0.01421 23 3PY -0.00294 -0.00182 0.00921 -0.01809 -0.00124 24 3PZ -0.00174 0.00497 0.01489 0.00424 0.00128 25 4XX -0.00423 0.00693 -0.00323 0.00817 -0.00293 26 4YY 0.00041 -0.00164 -0.00035 -0.01120 0.00006 27 4ZZ 0.00125 -0.00273 -0.00439 -0.00225 0.00438 28 4XY -0.00525 0.00989 0.01086 -0.00027 -0.00279 29 4XZ 0.00121 -0.00214 -0.00242 -0.00232 -0.01004 30 4YZ 0.00099 -0.00187 -0.00281 0.00004 -0.00355 31 3 C 1S -0.00459 0.00801 0.00762 0.01408 -0.00141 32 2S 0.00790 -0.01756 -0.01381 -0.02999 0.00257 33 2PX -0.00672 0.01540 0.00051 0.01273 -0.00433 34 2PY -0.01485 0.03092 0.04095 0.04044 -0.00757 35 2PZ 0.00126 -0.00288 -0.00436 -0.00228 -0.02298 36 3S 0.02280 -0.03831 -0.05985 -0.08243 0.01096 37 3PX -0.00365 0.00631 -0.00620 -0.00621 -0.00280 38 3PY -0.01159 0.02072 0.04825 0.03214 -0.00850 39 3PZ 0.00068 -0.00125 -0.00328 0.00112 -0.02336 40 4XX -0.00071 0.00119 -0.00034 0.00153 0.00002 41 4YY -0.00061 0.00094 0.00285 0.00320 -0.00053 42 4ZZ 0.00004 -0.00063 -0.00011 -0.00146 0.00005 43 4XY -0.00177 0.00351 0.00630 0.00691 -0.00155 44 4XZ 0.00014 -0.00036 0.00007 -0.00061 -0.00010 45 4YZ 0.00033 -0.00065 -0.00155 -0.00127 -0.00177 46 4 H 1S -0.00879 0.01838 0.02184 0.02476 -0.00410 47 2S -0.01241 0.02665 0.03742 0.05540 -0.00773 48 5 H 1S 0.00356 -0.00793 -0.00299 -0.01306 0.01148 49 2S 0.00090 -0.00349 -0.01222 -0.00468 -0.00005 50 6 H 1S 0.00371 -0.00824 -0.00717 -0.01334 -0.00953 51 2S 0.00109 -0.00380 -0.01180 -0.00502 0.00473 52 7 C 1S -0.00472 0.00991 0.01805 -0.00046 -0.00348 53 2S 0.00908 -0.02080 -0.03881 0.00347 0.00766 54 2PX -0.01401 0.03185 0.04821 0.00927 -0.01560 55 2PY -0.00234 0.00508 -0.00379 -0.02232 0.00071 56 2PZ 0.00264 -0.00610 -0.01588 -0.00168 -0.03138 57 3S 0.00932 -0.02100 -0.05371 0.00520 0.00854 58 3PX 0.00134 -0.00372 -0.02848 0.01475 -0.00223 59 3PY -0.00110 0.00264 -0.02029 -0.02595 0.00309 60 3PZ -0.00012 0.00030 -0.00205 -0.00271 -0.03389 61 4XX -0.00219 0.00424 0.01117 0.00296 -0.00251 62 4YY 0.00157 -0.00293 -0.00666 -0.00216 0.00127 63 4ZZ -0.00054 0.00081 0.00105 0.00058 0.00011 64 4XY -0.00119 0.00223 0.00439 0.00129 -0.00089 65 4XZ 0.00034 -0.00072 -0.00240 -0.00046 -0.00048 66 4YZ 0.00022 -0.00041 -0.00091 -0.00028 -0.00021 67 8 C 1S 0.00208 -0.00518 -0.01026 -0.00139 0.00221 68 2S -0.00501 0.01024 0.02078 0.00442 -0.00395 69 2PX 0.01113 -0.02290 -0.04561 -0.01113 0.00845 70 2PY 0.00418 -0.01002 -0.01429 -0.00042 0.00298 71 2PZ -0.00236 0.00484 0.00972 0.00275 -0.00080 72 3S -0.01082 0.02652 0.08062 0.00128 -0.01756 73 3PX 0.00759 -0.01737 -0.04479 -0.00409 0.00374 74 3PY 0.00512 -0.01128 -0.02743 0.00031 0.00331 75 3PZ -0.00078 0.00254 0.00529 -0.00049 -0.00469 76 4XX 0.00019 -0.00042 -0.00109 -0.00065 0.00080 77 4YY 0.00007 -0.00040 -0.00001 0.00064 -0.00001 78 4ZZ 0.00008 -0.00038 -0.00079 -0.00018 -0.00032 79 4XY -0.00016 0.00039 0.00111 0.00049 -0.00009 80 4XZ -0.00003 0.00001 0.00050 0.00016 0.00170 81 4YZ 0.00000 -0.00001 -0.00018 -0.00016 0.00032 82 9 C 1S -0.00023 0.00049 0.00078 0.00068 -0.00236 83 2S 0.00077 -0.00127 -0.00214 -0.00171 0.00387 84 2PX -0.00172 0.00271 0.00540 0.00334 -0.00622 85 2PY 0.00066 -0.00084 -0.00284 -0.00053 0.00212 86 2PZ -0.00094 0.00225 0.00488 0.00229 -0.00460 87 3S 0.00046 -0.00241 -0.00560 -0.00067 0.02231 88 3PX 0.00023 -0.00040 -0.00180 0.00028 -0.00070 89 3PY -0.00037 0.00031 0.00224 0.00235 0.00447 90 3PZ -0.00138 0.00295 0.00907 0.00160 -0.00652 91 4XX -0.00034 0.00069 0.00117 0.00046 -0.00080 92 4YY 0.00014 -0.00029 -0.00042 -0.00006 0.00017 93 4ZZ 0.00028 -0.00048 -0.00115 -0.00039 0.00029 94 4XY -0.00005 0.00010 0.00008 0.00013 -0.00026 95 4XZ -0.00010 0.00022 0.00049 0.00006 -0.00003 96 4YZ -0.00010 0.00023 0.00034 0.00007 -0.00015 97 10 C 1S 0.00040 -0.00086 -0.00164 -0.00048 0.00095 98 2S -0.00097 0.00186 0.00341 0.00149 -0.00159 99 2PX 0.00176 -0.00298 -0.00554 -0.00265 0.00356 100 2PY 0.00024 -0.00080 -0.00118 -0.00061 0.00094 101 2PZ -0.00028 0.00061 0.00214 0.00024 -0.00252 102 3S -0.00213 0.00462 0.01020 0.00271 -0.01036 103 3PX 0.00107 -0.00291 -0.00691 0.00133 0.00628 104 3PY 0.00117 -0.00188 -0.00567 -0.00327 0.00390 105 3PZ -0.00029 0.00060 0.00145 0.00042 -0.00215 106 4XX 0.00005 -0.00011 -0.00021 -0.00003 0.00018 107 4YY -0.00004 0.00005 0.00011 0.00007 -0.00002 108 4ZZ 0.00001 -0.00005 -0.00016 0.00005 -0.00004 109 4XY -0.00008 0.00014 0.00037 0.00004 -0.00016 110 4XZ 0.00013 -0.00026 -0.00057 -0.00022 0.00026 111 4YZ -0.00000 0.00001 0.00002 0.00001 0.00002 112 11 C 1S 0.00008 -0.00017 -0.00038 0.00010 0.00003 113 2S -0.00013 0.00030 0.00048 -0.00020 0.00004 114 2PX 0.00018 -0.00047 -0.00062 0.00058 0.00003 115 2PY 0.00003 0.00020 -0.00011 -0.00005 -0.00007 116 2PZ 0.00039 -0.00085 -0.00141 -0.00014 0.00029 117 3S -0.00088 0.00137 0.00440 0.00035 -0.00088 118 3PX 0.00002 -0.00001 -0.00026 -0.00071 -0.00081 119 3PY 0.00004 0.00012 -0.00072 -0.00064 0.00070 120 3PZ 0.00050 -0.00101 -0.00175 -0.00042 0.00001 121 4XX 0.00004 -0.00009 -0.00021 0.00005 0.00005 122 4YY -0.00003 0.00005 0.00011 0.00004 -0.00003 123 4ZZ -0.00001 0.00003 -0.00001 -0.00001 -0.00001 124 4XY -0.00005 0.00005 0.00009 0.00014 -0.00008 125 4XZ 0.00001 -0.00002 -0.00006 -0.00001 0.00001 126 4YZ 0.00003 -0.00007 -0.00017 -0.00001 0.00010 127 12 H 1S 0.00004 -0.00016 -0.00024 0.00047 -0.00006 128 2S 0.00004 -0.00016 -0.00003 0.00114 -0.00004 129 13 H 1S -0.00016 0.00044 0.00052 -0.00030 -0.00027 130 2S 0.00030 -0.00040 -0.00104 -0.00006 -0.00111 131 14 H 1S 0.00018 -0.00024 -0.00067 -0.00050 0.00042 132 2S 0.00009 -0.00004 -0.00062 0.00028 0.00039 133 15 C 1S -0.00013 0.00011 0.00032 0.00015 -0.00031 134 2S 0.00022 -0.00022 -0.00055 -0.00015 0.00081 135 2PX -0.00025 -0.00003 0.00009 0.00019 -0.00047 136 2PY 0.00035 -0.00059 -0.00122 -0.00041 0.00090 137 2PZ 0.00114 -0.00217 -0.00502 -0.00197 0.00227 138 3S 0.00135 -0.00158 -0.00435 -0.00375 0.00207 139 3PX 0.00028 -0.00061 -0.00087 0.00044 -0.00106 140 3PY 0.00040 -0.00042 -0.00069 -0.00192 0.00017 141 3PZ 0.00093 -0.00181 -0.00405 -0.00202 0.00259 142 4XX -0.00005 0.00009 0.00014 0.00007 -0.00009 143 4YY 0.00004 -0.00006 -0.00010 -0.00009 0.00016 144 4ZZ -0.00001 -0.00001 0.00001 0.00002 -0.00003 145 4XY 0.00001 -0.00003 -0.00007 0.00003 -0.00001 146 4XZ 0.00002 -0.00005 -0.00017 -0.00002 0.00014 147 4YZ 0.00001 -0.00001 -0.00000 -0.00004 -0.00003 148 16 C 1S 0.00009 -0.00014 -0.00033 -0.00012 0.00025 149 2S -0.00016 0.00022 0.00048 0.00025 -0.00050 150 2PX 0.00042 -0.00056 -0.00131 -0.00057 0.00099 151 2PY 0.00006 -0.00001 -0.00029 -0.00007 0.00022 152 2PZ 0.00019 -0.00044 -0.00134 -0.00040 0.00092 153 3S -0.00101 0.00148 0.00336 0.00132 -0.00114 154 3PX 0.00056 -0.00090 -0.00215 -0.00064 0.00061 155 3PY 0.00008 -0.00016 -0.00026 0.00033 0.00001 156 3PZ 0.00005 -0.00016 -0.00076 -0.00014 0.00068 157 4XX -0.00002 0.00003 0.00007 0.00005 -0.00001 158 4YY 0.00001 -0.00001 -0.00003 -0.00002 0.00002 159 4ZZ 0.00003 -0.00007 -0.00016 -0.00004 0.00006 160 4XY -0.00004 0.00007 0.00014 0.00005 -0.00010 161 4XZ -0.00005 0.00011 0.00026 0.00009 -0.00013 162 4YZ -0.00003 0.00007 0.00016 0.00006 -0.00010 163 17 O 1S 0.00000 -0.00001 -0.00001 0.00003 -0.00000 164 2S -0.00001 0.00005 0.00006 0.00002 -0.00003 165 2PX -0.00016 0.00022 0.00062 0.00038 -0.00039 166 2PY -0.00004 -0.00002 0.00015 -0.00004 -0.00005 167 2PZ -0.00059 0.00120 0.00273 0.00101 -0.00151 168 3S 0.00003 0.00004 -0.00007 -0.00051 0.00019 169 3PX -0.00023 0.00033 0.00088 0.00049 -0.00047 170 3PY -0.00001 -0.00003 0.00005 -0.00000 -0.00007 171 3PZ -0.00046 0.00095 0.00226 0.00076 -0.00130 172 4XX -0.00000 -0.00001 -0.00001 0.00003 -0.00001 173 4YY -0.00000 -0.00000 0.00000 0.00003 -0.00000 174 4ZZ -0.00001 0.00001 0.00003 0.00004 -0.00002 175 4XY 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 176 4XZ 0.00000 -0.00001 -0.00001 -0.00001 0.00001 177 4YZ 0.00002 -0.00004 -0.00007 -0.00003 0.00003 178 18 H 1S 0.00013 -0.00023 -0.00038 -0.00017 0.00029 179 2S 0.00030 -0.00049 -0.00090 -0.00036 0.00086 180 19 H 1S 0.00017 -0.00021 -0.00050 -0.00022 0.00045 181 2S 0.00023 -0.00040 -0.00067 -0.00100 0.00051 182 20 H 1S 0.00075 -0.00083 -0.00251 -0.00098 0.00136 183 2S 0.00158 -0.00246 -0.00936 -0.00191 -0.00271 184 21 H 1S 0.00025 -0.00090 -0.00068 -0.00033 0.00088 185 2S 0.00086 -0.00215 -0.00256 0.00132 -0.00018 186 22 H 1S 0.00151 -0.00264 -0.00810 -0.00396 -0.00341 187 2S 0.00323 -0.00605 -0.02051 -0.00626 -0.00677 188 23 H 1S 0.00017 -0.00126 0.00249 0.00507 -0.00087 189 2S 0.00084 -0.00276 0.00057 0.00385 0.00080 190 24 H 1S 0.00850 -0.01802 -0.03263 0.00151 0.00622 191 2S 0.00730 -0.01540 -0.04318 -0.02349 0.00801 192 25 H 1S -0.05334 0.10391 0.04501 -0.26210 -0.00946 193 2S -0.00699 0.02445 0.02806 -0.22316 -0.00608 194 26 H 1S -0.05235 0.10047 -0.09956 0.06302 0.23605 195 2S -0.00662 0.02311 -0.08342 0.05310 0.20794 196 27 H 1S -0.05237 0.10049 -0.17901 0.06436 -0.18282 197 2S -0.00665 0.02313 -0.15342 0.05409 -0.16226 6 7 8 9 10 6 3S 0.32038 7 3PX 0.03521 0.10298 8 3PY 0.01569 0.00004 0.09393 9 3PZ -0.00678 -0.00287 -0.00017 0.08763 10 4XX -0.00102 0.00122 0.00462 -0.00319 0.00096 11 4YY -0.00109 0.00286 -0.01057 -0.00061 -0.00056 12 4ZZ -0.00005 -0.00719 0.00424 0.00438 0.00006 13 4XY -0.00103 0.00579 0.00301 -0.00018 0.00024 14 4XZ 0.00019 -0.00374 -0.00008 -0.00802 0.00036 15 4YZ 0.00018 -0.00017 -0.00065 0.00468 -0.00018 16 2 C 1S -0.00322 -0.01565 -0.00727 0.00292 -0.00439 17 2S 0.01410 0.04147 0.01609 -0.00779 0.00745 18 2PX -0.15662 -0.11710 -0.07457 0.02905 0.00222 19 2PY -0.12318 -0.09134 -0.03236 0.01687 -0.00944 20 2PZ 0.02832 0.02903 0.01276 0.03082 0.00298 21 3S -0.01756 0.02275 0.02116 -0.00461 0.00572 22 3PX -0.03214 -0.03444 -0.01070 0.00908 0.00041 23 3PY -0.00328 0.00218 -0.00876 -0.00037 -0.00147 24 3PZ 0.00567 0.00972 0.00110 0.01339 0.00250 25 4XX 0.00967 -0.00046 0.00426 -0.00125 0.00034 26 4YY -0.00411 -0.00083 -0.00504 0.00015 -0.00054 27 4ZZ -0.00148 -0.00139 -0.00030 0.00158 -0.00038 28 4XY 0.01340 0.00592 -0.00012 -0.00163 -0.00019 29 4XZ -0.00250 -0.00100 -0.00107 -0.00374 0.00021 30 4YZ -0.00251 -0.00164 0.00006 -0.00242 0.00002 31 3 C 1S 0.02268 0.00690 0.00909 -0.00124 0.00086 32 2S -0.03481 -0.01094 -0.01546 0.00198 -0.00190 33 2PX 0.03403 -0.00068 0.00139 -0.00459 0.00024 34 2PY 0.09544 0.04916 0.02487 -0.00901 0.00480 35 2PZ -0.00562 -0.00436 0.00045 -0.02369 0.00046 36 3S -0.07667 -0.03908 -0.03941 0.00714 -0.00466 37 3PX 0.01083 -0.00487 -0.00614 -0.00204 -0.00002 38 3PY 0.05695 0.03774 0.01579 -0.00692 0.00346 39 3PZ -0.00198 -0.00220 0.00130 -0.01598 0.00065 40 4XX 0.00350 0.00084 0.00083 0.00013 0.00015 41 4YY -0.00079 0.00015 0.00084 -0.00003 0.00010 42 4ZZ -0.00022 0.00054 -0.00032 -0.00039 0.00001 43 4XY 0.00669 0.00377 0.00351 -0.00112 0.00006 44 4XZ -0.00079 0.00015 -0.00029 0.00089 0.00003 45 4YZ -0.00119 -0.00111 -0.00059 -0.00187 -0.00012 46 4 H 1S 0.04691 0.01891 0.01111 -0.00372 0.00111 47 2S 0.06132 0.02803 0.02756 -0.00557 0.00174 48 5 H 1S -0.01030 0.00406 -0.00471 0.01358 0.00031 49 2S -0.00353 -0.00010 -0.00127 0.00986 0.00151 50 6 H 1S -0.01015 -0.00135 -0.00392 -0.01381 0.00005 51 2S -0.00305 -0.00393 -0.00025 -0.00870 -0.00014 52 7 C 1S 0.01658 0.01000 -0.00028 -0.00210 -0.00186 53 2S -0.02524 -0.01899 0.00413 0.00377 0.00374 54 2PX 0.08175 0.03746 0.02254 -0.00616 -0.00761 55 2PY 0.02932 0.00099 -0.02174 -0.00035 0.00211 56 2PZ -0.01671 -0.00596 -0.00542 0.00685 0.00608 57 3S -0.02817 -0.02552 0.00428 0.00539 0.00361 58 3PX 0.00077 -0.01261 0.01284 0.00224 -0.00224 59 3PY 0.00229 -0.01146 -0.01691 0.00242 -0.00023 60 3PZ -0.00173 0.00212 -0.00333 0.00022 0.00405 61 4XX 0.00694 0.00574 0.00083 -0.00155 0.00019 62 4YY -0.00620 -0.00392 -0.00026 0.00077 -0.00031 63 4ZZ 0.00132 0.00071 0.00018 0.00029 -0.00011 64 4XY 0.00536 0.00331 0.00162 -0.00059 -0.00021 65 4XZ -0.00108 -0.00135 -0.00000 -0.00102 -0.00024 66 4YZ -0.00101 -0.00061 -0.00036 0.00024 0.00012 67 8 C 1S -0.00936 -0.00555 -0.00157 0.00113 0.00053 68 2S 0.02260 0.01257 0.00538 -0.00264 -0.00128 69 2PX -0.07747 -0.03790 -0.01850 0.00610 0.00268 70 2PY -0.01638 -0.00392 0.00425 0.00160 0.00080 71 2PZ 0.01613 0.00734 0.00451 -0.00478 -0.00116 72 3S 0.05525 0.04641 0.00339 -0.01015 -0.00034 73 3PX -0.05047 -0.03079 -0.00762 0.00469 0.00136 74 3PY -0.01789 -0.01245 0.00238 0.00226 0.00050 75 3PZ 0.00806 0.00376 0.00084 -0.00454 -0.00036 76 4XX 0.00059 -0.00036 -0.00035 0.00005 0.00001 77 4YY -0.00076 0.00020 0.00093 0.00009 -0.00005 78 4ZZ -0.00222 -0.00101 -0.00085 0.00020 0.00016 79 4XY 0.00135 0.00089 0.00083 -0.00018 -0.00012 80 4XZ -0.00025 0.00000 0.00011 -0.00016 -0.00020 81 4YZ -0.00045 -0.00031 -0.00038 0.00011 0.00001 82 9 C 1S 0.00227 0.00158 0.00092 0.00012 0.00016 83 2S -0.00616 -0.00346 -0.00273 -0.00002 -0.00013 84 2PX 0.01874 0.00964 0.00625 0.00076 0.00023 85 2PY -0.00675 -0.00280 -0.00250 -0.00157 -0.00012 86 2PZ 0.00902 0.00547 0.00336 0.00021 0.00026 87 3S -0.00527 -0.00561 -0.00218 0.00301 -0.00141 88 3PX 0.00602 0.00187 0.00188 0.00058 0.00012 89 3PY -0.00232 0.00019 0.00062 -0.00022 -0.00041 90 3PZ 0.00668 0.00621 0.00214 -0.00108 0.00028 91 4XX 0.00229 0.00108 0.00061 -0.00024 -0.00005 92 4YY -0.00031 -0.00015 0.00017 0.00016 0.00001 93 4ZZ -0.00193 -0.00104 -0.00064 0.00015 0.00006 94 4XY 0.00052 0.00016 0.00013 0.00001 0.00000 95 4XZ 0.00036 0.00016 0.00006 -0.00008 -0.00004 96 4YZ 0.00037 0.00014 -0.00008 -0.00007 -0.00000 97 10 C 1S -0.00353 -0.00158 -0.00104 0.00025 0.00004 98 2S 0.00742 0.00348 0.00222 -0.00041 -0.00015 99 2PX -0.01469 -0.00753 -0.00366 0.00045 0.00013 100 2PY -0.00209 -0.00132 -0.00053 0.00034 0.00001 101 2PZ 0.00432 0.00163 0.00119 -0.00024 0.00020 102 3S 0.01306 0.00798 0.00292 -0.00199 0.00031 103 3PX -0.00876 -0.00576 -0.00042 0.00126 -0.00014 104 3PY -0.00319 -0.00346 -0.00191 0.00088 -0.00021 105 3PZ 0.00245 0.00080 0.00076 -0.00037 0.00006 106 4XX -0.00042 -0.00020 -0.00010 -0.00002 -0.00000 107 4YY 0.00011 0.00004 0.00008 0.00001 -0.00001 108 4ZZ -0.00017 -0.00010 -0.00001 0.00002 0.00001 109 4XY 0.00075 0.00039 0.00018 0.00001 -0.00000 110 4XZ -0.00085 -0.00051 -0.00023 0.00005 0.00001 111 4YZ -0.00004 -0.00000 -0.00003 -0.00001 -0.00000 112 11 C 1S -0.00039 -0.00017 0.00014 -0.00005 0.00001 113 2S 0.00038 0.00010 -0.00021 0.00010 -0.00003 114 2PX 0.00044 0.00027 0.00129 -0.00011 0.00008 115 2PY -0.00038 0.00006 -0.00060 -0.00012 0.00001 116 2PZ -0.00017 -0.00064 0.00050 0.00048 0.00010 117 3S 0.00252 0.00215 0.00039 -0.00017 -0.00006 118 3PX 0.00086 0.00016 -0.00003 -0.00007 0.00007 119 3PY 0.00093 -0.00009 -0.00048 0.00007 -0.00011 120 3PZ -0.00157 -0.00097 -0.00004 0.00038 0.00017 121 4XX -0.00011 -0.00007 0.00007 0.00001 0.00000 122 4YY 0.00014 0.00006 0.00004 -0.00001 0.00000 123 4ZZ -0.00005 -0.00004 -0.00008 0.00000 0.00000 124 4XY 0.00039 0.00019 0.00017 -0.00001 -0.00000 125 4XZ -0.00013 -0.00005 -0.00002 -0.00001 -0.00000 126 4YZ -0.00016 -0.00009 -0.00001 0.00004 -0.00000 127 12 H 1S 0.00068 0.00041 0.00085 -0.00005 0.00002 128 2S 0.00053 0.00066 0.00123 -0.00017 0.00001 129 13 H 1S -0.00077 -0.00011 -0.00089 -0.00018 -0.00005 130 2S -0.00282 -0.00105 -0.00081 -0.00010 0.00021 131 14 H 1S -0.00095 -0.00068 -0.00065 0.00034 0.00001 132 2S -0.00098 -0.00068 -0.00035 0.00012 0.00001 133 15 C 1S 0.00126 0.00060 0.00034 0.00003 0.00000 134 2S -0.00260 -0.00117 -0.00060 -0.00006 -0.00003 135 2PX 0.00380 0.00144 0.00100 0.00041 0.00005 136 2PY -0.00221 -0.00130 -0.00037 0.00017 -0.00001 137 2PZ -0.00656 -0.00493 -0.00174 0.00039 0.00011 138 3S -0.00584 -0.00366 -0.00279 0.00023 -0.00006 139 3PX -0.00075 -0.00049 0.00017 -0.00002 0.00020 140 3PY -0.00146 -0.00072 -0.00110 0.00004 0.00002 141 3PZ -0.00495 -0.00376 -0.00153 0.00043 0.00004 142 4XX 0.00061 0.00027 0.00015 0.00000 -0.00001 143 4YY -0.00042 -0.00020 -0.00013 0.00001 -0.00000 144 4ZZ 0.00008 0.00003 0.00002 0.00000 0.00000 145 4XY -0.00003 -0.00002 0.00001 0.00002 0.00000 146 4XZ -0.00027 -0.00015 -0.00007 0.00002 -0.00001 147 4YZ -0.00003 -0.00003 -0.00002 -0.00000 0.00001 148 16 C 1S -0.00089 -0.00044 -0.00020 0.00001 -0.00000 149 2S 0.00173 0.00085 0.00044 0.00001 0.00001 150 2PX -0.00398 -0.00206 -0.00102 -0.00018 -0.00001 151 2PY -0.00130 -0.00057 -0.00033 0.00017 -0.00001 152 2PZ -0.00143 -0.00102 -0.00028 0.00024 -0.00004 153 3S 0.00617 0.00338 0.00178 -0.00012 -0.00008 154 3PX -0.00306 -0.00187 -0.00076 0.00007 0.00005 155 3PY -0.00126 -0.00051 -0.00006 0.00003 0.00004 156 3PZ -0.00082 -0.00061 -0.00016 0.00015 -0.00005 157 4XX 0.00015 0.00009 0.00007 0.00000 -0.00000 158 4YY -0.00021 -0.00009 -0.00007 -0.00001 -0.00000 159 4ZZ -0.00014 -0.00012 -0.00003 0.00001 0.00000 160 4XY 0.00026 0.00015 0.00007 -0.00000 0.00000 161 4XZ 0.00027 0.00023 0.00007 -0.00003 -0.00001 162 4YZ 0.00014 0.00014 0.00005 -0.00002 -0.00000 163 17 O 1S -0.00005 0.00000 0.00001 -0.00001 0.00000 164 2S -0.00014 -0.00008 -0.00005 0.00002 0.00000 165 2PX 0.00284 0.00125 0.00110 -0.00002 0.00003 166 2PY 0.00016 0.00020 -0.00009 -0.00003 -0.00002 167 2PZ 0.00198 0.00218 0.00074 -0.00028 -0.00007 168 3S 0.00058 0.00009 -0.00021 0.00007 -0.00004 169 3PX 0.00245 0.00122 0.00096 -0.00003 0.00002 170 3PY -0.00026 -0.00003 -0.00013 -0.00003 -0.00000 171 3PZ 0.00182 0.00184 0.00060 -0.00024 -0.00005 172 4XX -0.00007 -0.00002 -0.00001 0.00000 0.00000 173 4YY -0.00005 -0.00002 0.00001 -0.00001 0.00000 174 4ZZ -0.00001 0.00001 0.00002 -0.00001 0.00000 175 4XY -0.00004 -0.00002 -0.00003 0.00001 -0.00000 176 4XZ 0.00001 -0.00001 -0.00000 -0.00000 0.00000 177 4YZ -0.00004 -0.00006 -0.00002 0.00000 0.00000 178 18 H 1S -0.00107 -0.00055 -0.00032 -0.00013 -0.00000 179 2S -0.00297 -0.00142 -0.00082 -0.00009 -0.00001 180 19 H 1S -0.00195 -0.00086 -0.00055 -0.00004 -0.00000 181 2S -0.00251 -0.00110 -0.00104 0.00006 0.00004 182 20 H 1S -0.00608 -0.00297 -0.00233 -0.00000 0.00013 183 2S -0.00927 -0.00627 -0.00350 0.00051 0.00075 184 21 H 1S 0.00048 -0.00012 0.00114 0.00136 0.00002 185 2S -0.00240 -0.00078 0.00292 0.00156 0.00005 186 22 H 1S -0.01657 -0.00884 -0.00759 0.00277 0.00123 187 2S -0.02200 -0.01473 -0.00949 0.00255 0.00188 188 23 H 1S 0.00062 0.00465 0.00756 -0.00008 -0.00004 189 2S -0.00497 0.00200 0.00647 0.00089 -0.00028 190 24 H 1S -0.04291 -0.01984 0.00868 0.00399 -0.00059 191 2S -0.04721 -0.02788 -0.00485 0.00563 -0.00246 192 25 H 1S 0.08578 0.01752 -0.12588 -0.00366 -0.00785 193 2S 0.00287 0.00785 -0.10621 -0.00180 -0.00697 194 26 H 1S 0.08578 -0.05062 0.03159 0.10791 -0.00406 195 2S 0.00970 -0.04324 0.02652 0.09187 -0.00339 196 27 H 1S 0.08585 -0.08671 0.03207 -0.08170 0.00398 197 2S 0.00957 -0.07371 0.02650 -0.06931 0.00482 11 12 13 14 15 11 4YY 0.00177 12 4ZZ -0.00062 0.00119 13 4XY -0.00003 -0.00037 0.00064 14 4XZ -0.00001 -0.00031 -0.00022 0.00150 15 4YZ 0.00001 0.00019 -0.00007 -0.00034 0.00029 16 2 C 1S -0.00015 0.00230 -0.00458 0.00149 0.00085 17 2S -0.00057 -0.00508 0.00869 -0.00278 -0.00162 18 2PX -0.00120 0.00601 -0.00938 0.00297 0.00261 19 2PY 0.00996 0.00308 -0.00026 0.00278 0.00004 20 2PZ 0.00021 -0.00454 0.00259 0.00942 0.00396 21 3S -0.00155 -0.00284 0.00697 -0.00211 -0.00135 22 3PX -0.00107 0.00228 -0.00290 0.00188 0.00095 23 3PY 0.00258 -0.00081 0.00090 0.00003 -0.00017 24 3PZ 0.00020 -0.00302 0.00099 0.00718 0.00215 25 4XX -0.00070 0.00026 -0.00015 0.00035 -0.00003 26 4YY 0.00090 -0.00027 -0.00009 0.00005 0.00002 27 4ZZ -0.00003 0.00034 -0.00033 -0.00022 0.00011 28 4XY 0.00023 -0.00036 0.00024 -0.00005 -0.00007 29 4XZ 0.00015 -0.00036 -0.00007 0.00098 -0.00013 30 4YZ -0.00004 0.00008 -0.00007 -0.00004 -0.00011 31 3 C 1S -0.00213 0.00009 -0.00036 -0.00017 0.00006 32 2S 0.00397 -0.00072 0.00073 0.00024 -0.00013 33 2PX -0.00252 0.00100 0.00015 0.00045 0.00020 34 2PY -0.00957 0.00117 -0.00428 -0.00083 0.00078 35 2PZ 0.00046 -0.00070 0.00021 0.00142 0.00130 36 3S 0.00732 -0.00025 -0.00087 0.00097 0.00017 37 3PX -0.00061 0.00038 -0.00022 0.00045 0.00013 38 3PY -0.00517 -0.00026 -0.00094 -0.00094 0.00015 39 3PZ 0.00012 -0.00072 0.00011 0.00182 0.00043 40 4XX -0.00038 0.00012 -0.00019 0.00005 0.00002 41 4YY 0.00010 -0.00012 0.00039 -0.00004 -0.00007 42 4ZZ -0.00002 0.00001 -0.00016 -0.00006 0.00005 43 4XY -0.00034 -0.00004 0.00021 -0.00010 -0.00006 44 4XZ 0.00007 -0.00008 -0.00000 0.00014 -0.00005 45 4YZ 0.00007 0.00012 -0.00006 -0.00030 -0.00011 46 4 H 1S -0.00348 0.00051 -0.00039 -0.00017 0.00006 47 2S -0.00475 0.00045 0.00045 -0.00019 -0.00010 48 5 H 1S 0.00049 -0.00032 -0.00101 0.00024 -0.00027 49 2S -0.00073 -0.00040 -0.00130 0.00234 -0.00001 50 6 H 1S 0.00055 -0.00010 -0.00084 -0.00040 0.00064 51 2S -0.00069 0.00123 -0.00120 -0.00239 0.00051 52 7 C 1S 0.00149 -0.00071 0.00073 0.00027 -0.00015 53 2S -0.00311 0.00148 -0.00145 -0.00065 0.00025 54 2PX 0.00544 -0.00200 0.00231 0.00417 0.00002 55 2PY -0.00098 0.00073 0.00023 -0.00032 -0.00005 56 2PZ -0.00108 -0.00423 -0.00004 0.01271 0.00232 57 3S -0.00348 0.00190 -0.00209 0.00036 0.00049 58 3PX 0.00114 0.00065 0.00035 0.00311 0.00022 59 3PY 0.00087 0.00044 -0.00049 0.00054 0.00015 60 3PZ -0.00029 -0.00366 0.00014 0.00981 0.00139 61 4XX -0.00007 -0.00031 0.00035 -0.00025 -0.00012 62 4YY 0.00027 0.00013 -0.00015 0.00009 0.00003 63 4ZZ 0.00006 -0.00005 0.00004 0.00018 0.00005 64 4XY 0.00007 -0.00012 0.00005 0.00007 0.00000 65 4XZ 0.00004 0.00022 -0.00010 -0.00038 -0.00014 66 4YZ -0.00001 -0.00005 0.00000 0.00021 0.00005 67 8 C 1S -0.00040 0.00012 -0.00027 -0.00015 0.00004 68 2S 0.00078 -0.00051 0.00077 0.00021 -0.00015 69 2PX -0.00180 0.00097 -0.00174 -0.00063 0.00023 70 2PY -0.00015 0.00009 -0.00053 -0.00027 0.00010 71 2PZ 0.00039 0.00033 0.00028 -0.00147 -0.00054 72 3S 0.00105 -0.00283 0.00182 -0.00030 -0.00034 73 3PX -0.00087 0.00088 -0.00117 0.00096 0.00028 74 3PY -0.00044 0.00073 -0.00078 0.00042 0.00018 75 3PZ 0.00014 0.00001 0.00008 -0.00051 -0.00030 76 4XX -0.00007 0.00013 -0.00005 -0.00018 -0.00002 77 4YY 0.00007 -0.00004 0.00001 0.00003 0.00000 78 4ZZ -0.00007 -0.00003 -0.00003 0.00014 0.00003 79 4XY 0.00008 -0.00003 0.00003 -0.00002 -0.00001 80 4XZ 0.00001 0.00018 -0.00001 -0.00058 -0.00009 81 4YZ -0.00002 0.00003 -0.00001 -0.00004 0.00000 82 9 C 1S 0.00006 -0.00026 0.00006 0.00073 0.00013 83 2S -0.00019 0.00051 -0.00018 -0.00131 -0.00019 84 2PX 0.00037 -0.00099 0.00039 0.00232 0.00042 85 2PY -0.00004 0.00030 -0.00018 -0.00053 -0.00012 86 2PZ 0.00034 -0.00056 0.00025 0.00161 0.00028 87 3S -0.00044 0.00221 -0.00040 -0.00522 -0.00062 88 3PX -0.00001 -0.00012 0.00001 0.00058 0.00015 89 3PY 0.00003 0.00033 0.00005 -0.00108 -0.00016 90 3PZ 0.00034 -0.00078 0.00033 0.00131 0.00014 91 4XX 0.00006 -0.00008 0.00006 0.00018 0.00001 92 4YY -0.00000 0.00001 -0.00001 -0.00002 0.00001 93 4ZZ -0.00004 0.00004 -0.00005 -0.00001 0.00001 94 4XY 0.00001 -0.00003 0.00001 0.00009 0.00001 95 4XZ 0.00001 0.00000 0.00002 -0.00004 -0.00001 96 4YZ 0.00001 -0.00001 0.00001 0.00003 0.00000 97 10 C 1S -0.00008 0.00008 -0.00008 -0.00024 -0.00002 98 2S 0.00016 -0.00019 0.00017 0.00040 0.00004 99 2PX -0.00028 0.00058 -0.00032 -0.00113 -0.00017 100 2PY -0.00010 0.00007 -0.00001 -0.00028 -0.00004 101 2PZ 0.00002 -0.00023 0.00012 0.00053 0.00005 102 3S 0.00032 -0.00110 0.00045 0.00227 0.00021 103 3PX -0.00034 0.00076 -0.00022 -0.00129 -0.00014 104 3PY -0.00004 0.00044 -0.00022 -0.00076 -0.00007 105 3PZ 0.00006 -0.00016 0.00011 0.00042 0.00002 106 4XX -0.00001 0.00002 -0.00001 -0.00005 -0.00001 107 4YY 0.00000 0.00000 0.00001 -0.00001 -0.00000 108 4ZZ -0.00000 -0.00000 -0.00000 0.00002 0.00000 109 4XY 0.00001 -0.00003 0.00002 0.00004 0.00001 110 4XZ -0.00003 0.00003 -0.00002 -0.00007 -0.00001 111 4YZ -0.00000 0.00000 -0.00000 -0.00001 -0.00000 112 11 C 1S -0.00000 -0.00000 -0.00001 0.00002 0.00000 113 2S -0.00000 0.00001 0.00001 -0.00005 -0.00001 114 2PX -0.00005 -0.00002 -0.00002 0.00008 0.00003 115 2PY 0.00004 0.00001 -0.00004 0.00009 0.00002 116 2PZ -0.00004 0.00007 -0.00004 -0.00002 0.00002 117 3S 0.00011 -0.00017 0.00016 0.00002 -0.00002 118 3PX 0.00003 -0.00009 0.00000 0.00027 0.00004 119 3PY 0.00006 0.00008 -0.00003 -0.00005 0.00000 120 3PZ -0.00008 0.00002 -0.00007 0.00006 0.00003 121 4XX -0.00000 0.00001 -0.00001 0.00000 0.00000 122 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 123 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 124 4XY 0.00000 -0.00001 0.00001 0.00003 0.00000 125 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 126 4YZ -0.00000 0.00001 -0.00001 -0.00001 0.00000 127 12 H 1S -0.00001 -0.00002 -0.00000 0.00009 0.00002 128 2S -0.00001 -0.00003 0.00000 0.00005 0.00001 129 13 H 1S 0.00003 -0.00003 0.00001 0.00003 -0.00001 130 2S -0.00010 -0.00008 -0.00006 0.00027 0.00004 131 14 H 1S 0.00000 0.00007 -0.00004 -0.00008 -0.00000 132 2S -0.00005 0.00011 -0.00005 -0.00012 -0.00001 133 15 C 1S 0.00001 -0.00007 0.00003 0.00010 0.00002 134 2S -0.00003 0.00014 -0.00006 -0.00025 -0.00004 135 2PX -0.00001 -0.00017 0.00008 0.00027 0.00007 136 2PY -0.00003 0.00013 -0.00007 -0.00022 -0.00002 137 2PZ -0.00024 0.00038 -0.00020 -0.00061 -0.00009 138 3S 0.00002 0.00030 -0.00024 -0.00047 -0.00005 139 3PX -0.00011 -0.00010 0.00000 0.00031 0.00005 140 3PY 0.00003 0.00001 -0.00007 -0.00010 -0.00001 141 3PZ -0.00019 0.00034 -0.00018 -0.00067 -0.00008 142 4XX 0.00001 -0.00002 0.00001 0.00004 0.00001 143 4YY -0.00001 0.00002 -0.00001 -0.00005 -0.00001 144 4ZZ -0.00000 -0.00000 0.00000 0.00001 0.00000 145 4XY -0.00000 -0.00000 0.00000 0.00001 0.00000 146 4XZ -0.00001 0.00001 -0.00001 -0.00003 -0.00000 147 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 148 16 C 1S -0.00001 0.00004 -0.00002 -0.00007 -0.00001 149 2S 0.00002 -0.00009 0.00004 0.00016 0.00003 150 2PX -0.00006 0.00019 -0.00009 -0.00035 -0.00007 151 2PY -0.00001 0.00003 -0.00003 -0.00003 0.00000 152 2PZ -0.00004 0.00008 -0.00004 -0.00016 -0.00001 153 3S 0.00012 -0.00021 0.00016 0.00028 0.00004 154 3PX -0.00007 0.00012 -0.00009 -0.00012 -0.00001 155 3PY -0.00004 0.00002 -0.00001 0.00000 0.00000 156 3PZ -0.00002 0.00006 -0.00002 -0.00013 -0.00001 157 4XX 0.00000 -0.00000 0.00000 0.00001 0.00000 158 4YY -0.00000 0.00001 -0.00000 -0.00001 -0.00000 159 4ZZ -0.00001 0.00001 -0.00001 -0.00001 -0.00000 160 4XY 0.00000 -0.00001 0.00001 0.00003 0.00000 161 4XZ 0.00001 -0.00002 0.00001 0.00003 0.00000 162 4YZ 0.00001 -0.00001 0.00001 0.00002 0.00000 163 17 O 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 164 2S 0.00000 0.00001 -0.00000 -0.00000 -0.00000 165 2PX 0.00002 -0.00007 0.00004 0.00018 0.00004 166 2PY 0.00002 -0.00003 0.00003 -0.00002 -0.00001 167 2PZ 0.00014 -0.00023 0.00011 0.00037 0.00004 168 3S 0.00003 0.00001 0.00000 -0.00005 -0.00001 169 3PX 0.00003 -0.00008 0.00004 0.00017 0.00003 170 3PY 0.00001 -0.00001 0.00001 -0.00000 -0.00001 171 3PZ 0.00012 -0.00019 0.00009 0.00031 0.00004 172 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 173 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 174 4ZZ -0.00000 -0.00000 0.00000 0.00001 0.00000 175 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 176 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 177 4YZ -0.00000 0.00001 -0.00000 -0.00001 -0.00000 178 18 H 1S -0.00002 0.00005 -0.00002 -0.00012 -0.00003 179 2S -0.00004 0.00013 -0.00005 -0.00029 -0.00005 180 19 H 1S -0.00003 0.00008 -0.00004 -0.00015 -0.00003 181 2S -0.00005 0.00007 -0.00006 -0.00020 -0.00003 182 20 H 1S -0.00007 0.00024 -0.00015 -0.00020 -0.00001 183 2S -0.00025 -0.00007 -0.00029 0.00136 0.00027 184 21 H 1S -0.00002 0.00005 -0.00000 -0.00021 0.00002 185 2S 0.00009 -0.00012 0.00002 0.00030 0.00009 186 22 H 1S -0.00047 -0.00046 -0.00024 0.00192 0.00044 187 2S -0.00076 -0.00040 -0.00061 0.00298 0.00058 188 23 H 1S 0.00020 -0.00032 0.00009 0.00014 0.00003 189 2S 0.00040 -0.00028 0.00010 -0.00008 0.00000 190 24 H 1S 0.00033 0.00049 -0.00117 0.00022 0.00022 191 2S 0.00264 0.00033 -0.00125 0.00070 0.00026 192 25 H 1S 0.01587 -0.00690 -0.00380 0.00020 0.00080 193 2S 0.01414 -0.00587 -0.00261 0.00021 0.00056 194 26 H 1S -0.00629 0.01142 -0.00326 -0.01011 0.00556 195 2S -0.00566 0.01016 -0.00245 -0.01081 0.00443 196 27 H 1S -0.00622 0.00332 -0.00516 0.01344 -0.00407 197 2S -0.00560 0.00190 -0.00399 0.01320 -0.00328 16 17 18 19 20 16 2 C 1S 2.05253 17 2S -0.06532 0.33473 18 2PX -0.00580 0.00568 0.41582 19 2PY 0.00305 -0.00475 -0.01021 0.40268 20 2PZ 0.00092 -0.00065 -0.01504 0.00186 0.33694 21 3S -0.15405 0.24252 0.00936 0.01658 -0.00612 22 3PX 0.00960 -0.02705 0.09972 -0.00287 0.01827 23 3PY -0.00580 0.01437 -0.01695 0.05316 0.00109 24 3PZ -0.00198 0.00563 0.02159 0.00002 0.21099 25 4XX -0.01658 -0.00367 0.00062 -0.01108 0.00349 26 4YY -0.01625 -0.00462 -0.00387 0.01361 0.00069 27 4ZZ -0.01140 -0.01513 -0.00098 -0.00036 -0.00375 28 4XY 0.00015 -0.00079 -0.01421 -0.00287 0.00147 29 4XZ 0.00119 -0.00263 0.00188 0.00243 0.01097 30 4YZ -0.00006 0.00020 0.00147 0.00055 -0.00695 31 3 C 1S 0.01265 -0.02348 0.00428 -0.06700 -0.00083 32 2S -0.02312 0.04019 -0.01095 0.12941 0.00202 33 2PX -0.00871 0.01918 0.00950 0.04218 0.00500 34 2PY 0.06965 -0.14418 0.02896 -0.31348 -0.00625 35 2PZ 0.00187 -0.00427 0.00552 -0.00904 0.03733 36 3S -0.00330 0.01420 0.00992 0.20708 -0.00187 37 3PX -0.00452 0.01371 0.01705 0.02749 0.00288 38 3PY 0.01614 -0.04074 0.00892 -0.17577 -0.00399 39 3PZ 0.00087 -0.00265 0.00298 -0.00552 0.03115 40 4XX 0.00215 -0.00490 0.00225 -0.00826 0.00031 41 4YY -0.00693 0.01214 -0.00242 0.00785 0.00059 42 4ZZ 0.00256 -0.00555 0.00101 -0.00768 -0.00106 43 4XY 0.00111 -0.00211 -0.01122 -0.00318 -0.00009 44 4XZ 0.00009 -0.00012 0.00021 0.00010 0.00233 45 4YZ -0.00022 0.00041 -0.00002 0.00068 -0.01100 46 4 H 1S 0.00823 -0.01922 -0.01444 -0.03197 0.00210 47 2S 0.01148 -0.02541 -0.04386 -0.06147 0.00979 48 5 H 1S 0.00755 -0.01952 0.01335 -0.02827 0.00565 49 2S 0.01098 -0.02260 0.03423 -0.05033 0.04296 50 6 H 1S 0.00767 -0.01996 0.01040 -0.02817 -0.00992 51 2S 0.01119 -0.02334 0.01689 -0.05045 -0.05109 52 7 C 1S 0.02069 -0.04088 -0.07651 0.04001 0.01513 53 2S -0.04046 0.07015 0.14826 -0.08034 -0.03122 54 2PX 0.07221 -0.14436 -0.20692 0.13256 0.10130 55 2PY -0.04552 0.09058 0.15057 -0.05050 -0.02921 56 2PZ -0.01402 0.02819 0.10082 -0.02657 0.30028 57 3S -0.01306 0.04653 0.14358 -0.07548 -0.01192 58 3PX 0.01486 -0.03951 -0.04017 0.08798 0.05648 59 3PY -0.00927 0.02703 0.05820 0.01664 -0.00282 60 3PZ -0.00330 0.00858 0.05380 -0.01838 0.22144 61 4XX -0.00353 0.00605 -0.00603 -0.00888 -0.00288 62 4YY 0.00160 -0.00439 -0.00285 0.01229 0.00042 63 4ZZ 0.00202 -0.00439 -0.00545 0.00267 0.00569 64 4XY 0.00445 -0.00883 -0.01011 -0.00233 0.00300 65 4XZ 0.00139 -0.00263 -0.00301 0.00282 -0.01252 66 4YZ -0.00089 0.00177 0.00313 0.00044 0.00518 67 8 C 1S -0.00356 0.00723 0.01287 0.00065 -0.00370 68 2S 0.00809 -0.01642 -0.03163 0.00309 0.00700 69 2PX -0.01640 0.03812 0.05747 -0.00863 -0.01489 70 2PY 0.00125 -0.00221 0.00579 -0.00391 -0.00349 71 2PZ 0.00378 -0.00821 -0.01942 0.00296 -0.02980 72 3S 0.00586 -0.01345 -0.05813 -0.06222 0.01474 73 3PX -0.00737 0.01843 0.04196 0.01694 0.01223 74 3PY 0.00071 -0.00354 0.02379 0.00353 0.00191 75 3PZ 0.00077 -0.00182 -0.00560 -0.00205 -0.01409 76 4XX -0.00132 0.00242 0.00566 -0.00217 -0.00524 77 4YY 0.00121 -0.00230 -0.00434 0.00220 0.00129 78 4ZZ -0.00078 0.00167 0.00230 -0.00080 0.00331 79 4XY 0.00105 -0.00226 -0.00356 0.00088 -0.00006 80 4XZ 0.00022 -0.00037 -0.00374 0.00048 -0.01271 81 4YZ -0.00028 0.00062 0.00064 -0.00009 -0.00095 82 9 C 1S 0.00118 -0.00231 -0.00055 0.00153 0.01641 83 2S -0.00276 0.00615 0.00369 -0.00390 -0.02956 84 2PX 0.00406 -0.00874 -0.00303 0.00540 0.05092 85 2PY 0.00064 -0.00060 -0.00304 0.00375 -0.01071 86 2PZ 0.00377 -0.01001 -0.00718 0.00308 0.03503 87 3S -0.00382 0.00699 -0.00296 -0.00209 -0.11507 88 3PX 0.00007 -0.00020 0.00735 0.00028 0.00998 89 3PY 0.00143 -0.00214 -0.01350 0.00432 -0.01982 90 3PZ 0.00239 -0.00596 -0.01079 -0.00149 0.03038 91 4XX 0.00073 -0.00141 -0.00163 0.00088 0.00406 92 4YY 0.00001 0.00005 0.00034 -0.00012 -0.00057 93 4ZZ -0.00040 0.00095 0.00183 -0.00023 -0.00037 94 4XY 0.00010 -0.00023 -0.00004 0.00040 0.00178 95 4XZ 0.00018 -0.00025 -0.00095 0.00018 -0.00062 96 4YZ 0.00002 -0.00013 -0.00028 0.00014 0.00067 97 10 C 1S -0.00060 0.00158 0.00148 -0.00069 -0.00516 98 2S 0.00168 -0.00363 -0.00446 0.00243 0.00890 99 2PX -0.00295 0.00564 0.00532 -0.00475 -0.02482 100 2PY -0.00109 0.00210 0.00208 -0.00159 -0.00617 101 2PZ 0.00016 -0.00045 -0.00069 -0.00087 0.01246 102 3S 0.00293 -0.00657 -0.00772 0.00194 0.05185 103 3PX -0.00164 0.00363 0.00261 0.00053 -0.02880 104 3PY -0.00144 0.00305 0.00781 0.00139 -0.01995 105 3PZ 0.00068 -0.00111 -0.00246 0.00154 0.00951 106 4XX -0.00008 0.00024 0.00005 -0.00006 -0.00111 107 4YY 0.00006 -0.00008 -0.00026 0.00005 -0.00018 108 4ZZ 0.00004 -0.00005 0.00005 0.00014 0.00045 109 4XY 0.00006 -0.00012 -0.00013 -0.00010 0.00089 110 4XZ -0.00028 0.00063 0.00080 -0.00029 -0.00160 111 4YZ -0.00001 0.00002 -0.00004 -0.00000 -0.00021 112 11 C 1S 0.00012 -0.00019 -0.00010 0.00031 0.00043 113 2S -0.00032 0.00053 0.00068 -0.00054 -0.00132 114 2PX 0.00052 -0.00078 -0.00065 0.00009 0.00201 115 2PY 0.00027 -0.00030 -0.00000 0.00095 0.00183 116 2PZ -0.00020 0.00044 0.00125 -0.00051 -0.00062 117 3S 0.00003 -0.00006 -0.00396 -0.00146 0.00227 118 3PX -0.00006 0.00023 0.00156 0.00113 0.00545 119 3PY 0.00004 0.00015 0.00112 0.00241 -0.00206 120 3PZ -0.00066 0.00124 0.00337 -0.00189 0.00108 121 4XX 0.00004 -0.00007 -0.00001 0.00021 0.00004 122 4YY -0.00002 -0.00001 -0.00006 -0.00012 0.00003 123 4ZZ -0.00004 0.00007 0.00014 -0.00001 0.00000 124 4XY 0.00012 -0.00022 -0.00024 0.00022 0.00070 125 4XZ 0.00001 0.00000 0.00001 0.00007 -0.00001 126 4YZ 0.00001 -0.00002 0.00007 0.00007 -0.00034 127 12 H 1S 0.00048 -0.00080 -0.00070 0.00061 0.00203 128 2S 0.00094 -0.00176 -0.00243 0.00030 0.00150 129 13 H 1S -0.00017 0.00032 0.00018 0.00047 0.00056 130 2S -0.00055 0.00091 0.00327 -0.00255 0.00570 131 14 H 1S -0.00040 0.00076 0.00136 -0.00027 -0.00220 132 2S -0.00006 -0.00002 -0.00015 -0.00002 -0.00304 133 15 C 1S 0.00010 -0.00018 0.00004 0.00009 0.00213 134 2S -0.00020 0.00036 -0.00046 -0.00016 -0.00537 135 2PX -0.00011 0.00050 0.00173 0.00005 0.00570 136 2PY -0.00037 0.00059 0.00074 -0.00032 -0.00491 137 2PZ -0.00226 0.00494 0.00646 -0.00227 -0.01342 138 3S -0.00101 0.00235 0.00576 0.00061 -0.01252 139 3PX -0.00052 0.00111 0.00249 -0.00090 0.00710 140 3PY -0.00051 0.00083 0.00240 -0.00144 -0.00279 141 3PZ -0.00198 0.00430 0.00572 -0.00246 -0.01467 142 4XX 0.00011 -0.00021 -0.00010 0.00021 0.00072 143 4YY -0.00009 0.00017 0.00007 -0.00016 -0.00107 144 4ZZ -0.00002 0.00002 0.00005 -0.00000 0.00018 145 4XY -0.00001 0.00004 0.00009 0.00003 0.00019 146 4XZ -0.00004 0.00009 0.00012 0.00003 -0.00064 147 4YZ -0.00005 0.00009 0.00011 -0.00011 0.00007 148 16 C 1S -0.00012 0.00025 0.00021 -0.00012 -0.00156 149 2S 0.00025 -0.00045 -0.00011 0.00039 0.00351 150 2PX -0.00053 0.00093 0.00055 -0.00072 -0.00729 151 2PY -0.00007 0.00023 0.00039 0.00006 -0.00082 152 2PZ -0.00045 0.00102 0.00175 -0.00013 -0.00386 153 3S 0.00112 -0.00233 -0.00412 0.00081 0.00668 154 3PX -0.00059 0.00118 0.00255 -0.00011 -0.00297 155 3PY -0.00012 0.00025 -0.00006 -0.00015 0.00043 156 3PZ -0.00019 0.00046 0.00065 0.00016 -0.00296 157 4XX 0.00003 -0.00008 -0.00012 0.00003 0.00017 158 4YY -0.00002 0.00003 -0.00002 -0.00002 -0.00026 159 4ZZ -0.00005 0.00011 0.00019 -0.00001 -0.00030 160 4XY 0.00004 -0.00009 -0.00007 0.00004 0.00061 161 4XZ 0.00011 -0.00024 -0.00033 0.00009 0.00068 162 4YZ 0.00007 -0.00016 -0.00022 0.00007 0.00050 163 17 O 1S 0.00002 -0.00003 -0.00004 0.00002 0.00009 164 2S -0.00005 0.00005 0.00001 -0.00010 -0.00002 165 2PX 0.00033 -0.00077 -0.00035 0.00035 0.00388 166 2PY -0.00001 -0.00002 -0.00032 -0.00004 -0.00041 167 2PZ 0.00113 -0.00251 -0.00343 0.00117 0.00787 168 3S -0.00010 0.00021 0.00062 0.00006 -0.00152 169 3PX 0.00036 -0.00082 -0.00083 0.00022 0.00379 170 3PY -0.00005 0.00004 -0.00017 0.00000 -0.00011 171 3PZ 0.00090 -0.00200 -0.00273 0.00087 0.00661 172 4XX -0.00000 0.00001 -0.00001 -0.00001 0.00004 173 4YY 0.00000 -0.00001 -0.00004 -0.00003 0.00002 174 4ZZ 0.00001 -0.00002 -0.00005 -0.00002 0.00014 175 4XY -0.00000 0.00002 0.00004 -0.00000 -0.00000 176 4XZ -0.00001 0.00002 0.00001 -0.00002 -0.00005 177 4YZ -0.00003 0.00007 0.00009 -0.00004 -0.00018 178 18 H 1S -0.00017 0.00024 -0.00003 -0.00026 -0.00253 179 2S -0.00041 0.00074 0.00006 -0.00061 -0.00605 180 19 H 1S -0.00022 0.00051 0.00018 -0.00031 -0.00325 181 2S -0.00072 0.00129 0.00181 -0.00189 -0.00430 182 20 H 1S -0.00069 0.00057 0.00185 -0.00019 -0.00538 183 2S -0.00172 0.00315 0.01751 0.00088 0.02669 184 21 H 1S -0.00089 0.00129 0.00242 -0.00252 -0.00552 185 2S 0.00131 -0.00247 -0.00331 0.00383 0.00723 186 22 H 1S -0.00550 0.01241 0.02570 -0.00572 0.03967 187 2S -0.00793 0.01667 0.04729 -0.00464 0.05675 188 23 H 1S 0.00665 -0.01334 -0.02113 0.00217 0.00779 189 2S 0.00640 -0.01159 -0.02928 0.01792 0.00439 190 24 H 1S 0.01332 -0.03015 -0.02553 0.03264 0.00455 191 2S 0.01819 -0.03708 -0.03959 0.09098 0.00944 192 25 H 1S 0.00859 -0.01977 0.01532 0.03029 -0.00283 193 2S 0.01101 -0.02458 0.02625 0.07144 -0.00531 194 26 H 1S 0.00748 -0.01990 0.02802 0.00729 -0.01486 195 2S 0.01083 -0.02296 0.04619 0.01009 -0.06162 196 27 H 1S 0.00740 -0.01969 0.03168 0.00710 0.00362 197 2S 0.01069 -0.02261 0.06599 0.00927 0.04091 21 22 23 24 25 21 3S 0.19529 22 3PX -0.01841 0.03054 23 3PY 0.01241 -0.00529 0.01266 24 3PZ 0.00072 0.01809 -0.00028 0.13703 25 4XX -0.00206 0.00171 -0.00130 0.00225 0.00119 26 4YY -0.00378 -0.00139 0.00148 0.00019 -0.00068 27 4ZZ -0.00974 0.00069 -0.00070 -0.00292 0.00020 28 4XY -0.00095 -0.00378 0.00111 -0.00008 0.00016 29 4XZ -0.00200 0.00125 0.00002 0.00779 0.00007 30 4YZ 0.00038 -0.00003 -0.00016 -0.00467 -0.00012 31 3 C 1S -0.00097 0.00443 -0.00243 -0.00077 0.00285 32 2S 0.01215 -0.00583 0.01997 0.00095 -0.00618 33 2PX 0.01531 -0.01353 0.00821 0.00368 -0.00249 34 2PY -0.12991 0.02094 -0.04649 -0.00401 0.01045 35 2PZ -0.00116 0.00595 -0.00174 0.00584 -0.00045 36 3S -0.00492 -0.00227 0.02418 0.00011 -0.00976 37 3PX 0.01131 -0.00477 0.00447 0.00352 -0.00175 38 3PY -0.03946 0.00642 -0.02210 -0.00230 0.00570 39 3PZ -0.00130 0.00401 -0.00106 0.01208 0.00018 40 4XX -0.00458 0.00083 -0.00135 0.00064 0.00034 41 4YY 0.01014 -0.00183 0.00156 0.00044 -0.00027 42 4ZZ -0.00468 0.00116 -0.00141 -0.00109 0.00023 43 4XY -0.00197 -0.00305 -0.00012 -0.00094 0.00006 44 4XZ -0.00020 0.00041 -0.00004 0.00243 0.00010 45 4YZ 0.00064 -0.00070 0.00011 -0.00749 -0.00018 46 4 H 1S -0.02882 -0.00904 -0.00292 0.00129 -0.00004 47 2S -0.02881 -0.01240 -0.00646 0.00328 0.00215 48 5 H 1S -0.02672 0.01109 -0.00531 0.01319 0.00147 49 2S -0.02370 0.01842 -0.00920 0.03818 0.00335 50 6 H 1S -0.02380 0.00847 -0.00502 -0.01668 -0.00024 51 2S -0.02022 0.00720 -0.00841 -0.04192 0.00066 52 7 C 1S -0.00908 -0.01080 0.00624 0.00306 -0.00342 53 2S 0.03708 0.03859 -0.01231 -0.00977 0.00597 54 2PX -0.10195 -0.02198 0.03524 0.04525 0.00523 55 2PY 0.08692 0.03695 0.01730 -0.00674 0.00773 56 2PZ 0.01489 0.04052 -0.00949 0.20182 0.00373 57 3S 0.01879 0.03723 -0.01386 0.00337 0.00517 58 3PX -0.02352 0.00144 0.01360 0.03211 0.00136 59 3PY 0.02815 0.01297 0.00865 0.00341 0.00115 60 3PZ 0.00145 0.02683 -0.00488 0.14886 0.00324 61 4XX 0.00543 -0.00215 0.00008 -0.00220 0.00034 62 4YY -0.00502 -0.00075 0.00010 -0.00005 -0.00064 63 4ZZ -0.00246 -0.00099 0.00045 0.00333 -0.00012 64 4XY -0.00761 -0.00106 0.00008 0.00086 0.00036 65 4XZ -0.00177 -0.00143 0.00019 -0.00853 -0.00023 66 4YZ 0.00147 0.00083 -0.00002 0.00352 0.00002 67 8 C 1S 0.00429 0.00105 -0.00076 -0.00107 -0.00174 68 2S -0.00846 0.00022 -0.00215 0.00070 0.00330 69 2PX 0.04045 -0.00752 -0.02887 -0.00288 -0.00927 70 2PY -0.03841 0.00392 -0.00589 -0.00426 -0.00177 71 2PZ -0.00993 -0.00504 0.00531 -0.03290 0.00241 72 3S -0.00818 -0.00481 -0.00344 0.00313 0.00503 73 3PX 0.01962 0.00212 -0.01388 0.01223 -0.00447 74 3PY -0.01837 0.00847 -0.00361 0.00176 -0.00032 75 3PZ -0.00326 -0.00213 0.00242 -0.01506 0.00108 76 4XX 0.00195 0.00116 0.00066 -0.00304 0.00032 77 4YY -0.00397 -0.00053 -0.00033 0.00030 -0.00020 78 4ZZ 0.00293 -0.00010 -0.00069 0.00284 -0.00026 79 4XY -0.00255 -0.00041 0.00059 -0.00039 0.00017 80 4XZ -0.00036 -0.00203 -0.00002 -0.00895 -0.00028 81 4YZ 0.00113 -0.00028 -0.00003 -0.00008 -0.00010 82 9 C 1S -0.00675 0.00028 0.00230 0.01130 0.00054 83 2S 0.00980 -0.00344 -0.00297 -0.02018 -0.00100 84 2PX -0.02438 0.00765 0.00977 0.03785 0.00190 85 2PY -0.00898 -0.01140 0.00419 -0.00269 -0.00062 86 2PZ -0.01185 0.00508 0.01066 0.02837 0.00100 87 3S 0.01060 -0.01083 -0.00051 -0.07622 -0.00192 88 3PX -0.00802 0.00479 0.00397 0.00940 0.00083 89 3PY -0.00570 -0.00906 0.00188 -0.01237 -0.00075 90 3PZ -0.00685 0.00202 0.00414 0.02195 0.00062 91 4XX -0.00159 0.00033 0.00096 0.00241 0.00033 92 4YY -0.00007 0.00063 -0.00041 -0.00064 -0.00006 93 4ZZ 0.00140 -0.00025 -0.00050 0.00035 -0.00018 94 4XY -0.00008 0.00021 0.00022 0.00128 0.00006 95 4XZ 0.00061 0.00001 -0.00027 -0.00088 0.00005 96 4YZ 0.00044 -0.00018 0.00055 0.00073 0.00003 97 10 C 1S -0.00006 -0.00180 -0.00279 -0.00331 -0.00039 98 2S -0.00449 0.00136 0.00391 0.00569 0.00085 99 2PX 0.02029 0.00052 -0.00599 -0.01949 -0.00136 100 2PY 0.00436 0.00094 -0.00477 -0.00507 -0.00044 101 2PZ 0.00566 0.00687 0.00437 0.00640 0.00054 102 3S -0.00691 0.00331 0.00462 0.03380 0.00169 103 3PX 0.00831 -0.00120 -0.00314 -0.02024 -0.00099 104 3PY 0.00329 0.00056 -0.00028 -0.01196 -0.00039 105 3PZ 0.00426 0.00369 0.00244 0.00458 0.00034 106 4XX 0.00005 -0.00029 -0.00008 -0.00072 -0.00007 107 4YY 0.00031 0.00015 -0.00016 -0.00034 0.00002 108 4ZZ -0.00011 -0.00002 -0.00002 0.00042 -0.00001 109 4XY -0.00055 0.00028 0.00006 0.00060 0.00005 110 4XZ 0.00103 0.00007 -0.00050 -0.00127 -0.00008 111 4YZ -0.00018 -0.00020 0.00002 -0.00009 -0.00001 112 11 C 1S -0.00092 -0.00009 -0.00018 0.00053 -0.00004 113 2S 0.00275 0.00030 -0.00078 -0.00128 0.00009 114 2PX -0.00649 0.00008 0.00152 0.00233 -0.00011 115 2PY -0.00251 -0.00217 0.00307 0.00266 0.00011 116 2PZ 0.00063 0.00308 0.00206 -0.00217 -0.00014 117 3S 0.00365 0.00055 -0.00123 -0.00052 0.00025 118 3PX -0.00184 0.00071 0.00179 0.00475 0.00005 119 3PY -0.00112 -0.00095 0.00303 -0.00010 0.00017 120 3PZ 0.00080 0.00218 0.00007 0.00014 -0.00014 121 4XX -0.00058 -0.00009 0.00014 0.00012 -0.00002 122 4YY 0.00019 0.00010 -0.00004 -0.00004 0.00001 123 4ZZ 0.00030 -0.00005 0.00001 0.00005 0.00001 124 4XY -0.00078 -0.00002 0.00017 0.00057 0.00003 125 4XZ -0.00004 -0.00010 -0.00016 0.00005 -0.00001 126 4YZ -0.00027 -0.00011 -0.00006 -0.00021 -0.00002 127 12 H 1S -0.00487 -0.00037 0.00130 0.00206 0.00001 128 2S -0.00687 -0.00112 0.00053 0.00133 -0.00002 129 13 H 1S 0.00257 -0.00156 -0.00115 0.00110 0.00010 130 2S 0.00277 0.00012 -0.00202 0.00464 -0.00002 131 14 H 1S 0.00285 0.00056 0.00080 -0.00224 -0.00005 132 2S 0.00114 -0.00064 0.00068 -0.00236 -0.00016 133 15 C 1S -0.00131 0.00053 -0.00044 0.00147 0.00008 134 2S 0.00287 -0.00129 0.00042 -0.00385 -0.00017 135 2PX -0.00289 0.00274 -0.00052 0.00416 0.00013 136 2PY 0.00434 0.00103 -0.00019 -0.00387 -0.00021 137 2PZ 0.01639 0.00470 -0.00121 -0.01217 -0.00049 138 3S 0.00446 -0.00107 0.00147 -0.00647 -0.00051 139 3PX 0.00169 0.00170 -0.00096 0.00461 -0.00007 140 3PY 0.00210 0.00080 -0.00050 -0.00181 -0.00016 141 3PZ 0.01189 0.00332 -0.00122 -0.01220 -0.00043 142 4XX -0.00072 0.00010 0.00025 0.00058 0.00006 143 4YY 0.00046 -0.00016 -0.00023 -0.00078 -0.00005 144 4ZZ -0.00002 0.00008 0.00003 0.00013 0.00000 145 4XY -0.00011 -0.00000 -0.00008 0.00014 -0.00000 146 4XZ 0.00004 -0.00020 -0.00022 -0.00039 -0.00003 147 4YZ 0.00034 0.00018 0.00004 -0.00002 0.00000 148 16 C 1S 0.00107 -0.00016 -0.00032 -0.00121 -0.00006 149 2S -0.00223 0.00040 0.00037 0.00269 0.00014 150 2PX 0.00456 -0.00098 -0.00046 -0.00519 -0.00028 151 2PY 0.00061 -0.00116 -0.00051 -0.00018 -0.00001 152 2PZ 0.00285 0.00071 -0.00235 -0.00298 -0.00011 153 3S -0.00559 0.00088 0.00168 0.00428 0.00052 154 3PX 0.00276 0.00005 -0.00024 -0.00148 -0.00026 155 3PY 0.00119 -0.00033 -0.00048 0.00014 -0.00009 156 3PZ 0.00142 0.00001 -0.00143 -0.00220 -0.00007 157 4XX -0.00020 0.00002 0.00014 0.00022 0.00000 158 4YY 0.00020 -0.00012 -0.00017 -0.00027 -0.00001 159 4ZZ 0.00029 0.00011 0.00002 -0.00024 -0.00001 160 4XY -0.00030 0.00001 0.00015 0.00055 0.00003 161 4XZ -0.00070 -0.00023 -0.00002 0.00058 0.00003 162 4YZ -0.00040 -0.00012 -0.00009 0.00041 0.00001 163 17 O 1S -0.00045 -0.00024 0.00005 0.00017 -0.00001 164 2S 0.00115 0.00030 -0.00010 -0.00018 0.00001 165 2PX -0.00219 0.00200 0.00281 0.00430 0.00012 166 2PY 0.00039 0.00037 -0.00176 -0.00157 -0.00003 167 2PZ -0.00623 -0.00246 -0.00236 0.00655 0.00027 168 3S 0.00096 0.00076 -0.00024 -0.00130 0.00004 169 3PX -0.00215 0.00129 0.00207 0.00373 0.00013 170 3PY 0.00066 0.00010 -0.00112 -0.00089 -0.00003 171 3PZ -0.00508 -0.00178 -0.00135 0.00542 0.00022 172 4XX -0.00000 -0.00006 -0.00008 -0.00001 -0.00000 173 4YY 0.00000 -0.00003 0.00011 0.00007 -0.00000 174 4ZZ -0.00000 -0.00001 -0.00003 0.00009 0.00000 175 4XY 0.00000 -0.00006 -0.00006 -0.00002 0.00000 176 4XZ 0.00006 0.00004 0.00009 -0.00004 -0.00000 177 4YZ 0.00017 0.00009 0.00014 -0.00017 -0.00001 178 18 H 1S 0.00133 -0.00006 -0.00046 -0.00226 -0.00011 179 2S 0.00324 -0.00079 -0.00150 -0.00513 -0.00027 180 19 H 1S 0.00085 -0.00141 -0.00060 -0.00225 -0.00014 181 2S 0.00207 -0.00074 -0.00195 -0.00315 -0.00025 182 20 H 1S 0.00247 -0.00330 0.00295 0.00070 -0.00069 183 2S 0.00429 0.00184 0.00178 0.02357 -0.00038 184 21 H 1S 0.00580 0.00630 -0.00383 -0.00656 -0.00019 185 2S -0.00193 0.00555 -0.00403 0.00141 -0.00043 186 22 H 1S 0.02470 0.00451 -0.00909 0.03558 -0.00146 187 2S 0.02505 0.00904 -0.00697 0.04841 -0.00143 188 23 H 1S -0.03368 0.00058 -0.00475 0.00163 -0.00021 189 2S -0.03038 -0.00444 -0.00295 -0.00102 -0.00193 190 24 H 1S -0.04217 -0.00632 -0.01285 0.00021 -0.00388 191 2S -0.04277 -0.01152 -0.00422 0.00264 -0.00647 192 25 H 1S -0.03883 -0.00399 0.01528 0.00089 -0.00373 193 2S -0.03292 -0.00013 0.01656 -0.00032 -0.00557 194 26 H 1S -0.01596 0.01271 -0.00793 -0.01974 0.00259 195 2S -0.01247 0.01247 -0.00827 -0.04745 0.00011 196 27 H 1S -0.01699 0.01859 -0.00891 0.01363 0.00705 197 2S -0.01485 0.02751 -0.00976 0.03988 0.00521 26 27 28 29 30 26 4YY 0.00147 27 4ZZ 0.00024 0.00090 28 4XY -0.00003 0.00006 0.00131 29 4XZ 0.00021 -0.00015 -0.00008 0.00086 30 4YZ 0.00001 0.00009 -0.00015 -0.00028 0.00055 31 3 C 1S -0.00705 0.00154 0.00117 -0.00030 -0.00024 32 2S 0.01210 -0.00324 -0.00198 0.00067 0.00041 33 2PX 0.00275 -0.00102 0.01166 -0.00025 -0.00004 34 2PY -0.00695 0.00606 0.00337 -0.00098 -0.00069 35 2PZ -0.00060 0.00128 -0.00006 -0.00308 0.01142 36 3S 0.01614 -0.00224 -0.00402 0.00174 0.00077 37 3PX 0.00166 -0.00074 0.00526 0.00015 -0.00004 38 3PY -0.00484 0.00184 0.00254 -0.00097 -0.00047 39 3PZ -0.00032 0.00031 -0.00004 -0.00051 0.00506 40 4XX -0.00012 0.00015 0.00027 0.00009 -0.00026 41 4YY -0.00004 -0.00049 0.00015 -0.00004 -0.00003 42 4ZZ -0.00015 0.00029 -0.00039 -0.00012 0.00029 43 4XY 0.00011 0.00010 0.00086 -0.00010 -0.00004 44 4XZ -0.00000 -0.00011 -0.00026 0.00035 -0.00061 45 4YZ -0.00002 0.00016 -0.00005 -0.00049 0.00061 46 4 H 1S 0.00371 0.00003 0.00764 0.00003 -0.00137 47 2S 0.00007 0.00070 0.00772 -0.00020 -0.00143 48 5 H 1S 0.00187 -0.00052 -0.00554 0.00271 -0.00579 49 2S -0.00132 -0.00055 -0.00481 0.00410 -0.00596 50 6 H 1S 0.00181 0.00139 -0.00322 -0.00281 0.00739 51 2S -0.00139 0.00245 -0.00251 -0.00458 0.00728 52 7 C 1S 0.00147 0.00192 0.00484 0.00132 -0.00097 53 2S -0.00452 -0.00417 -0.00936 -0.00252 0.00189 54 2PX 0.00340 0.00459 0.00939 0.00307 -0.00344 55 2PY -0.01355 -0.00306 0.00327 -0.00256 -0.00061 56 2PZ -0.00072 -0.00584 -0.00333 0.01374 -0.00759 57 3S -0.00412 -0.00321 -0.00911 -0.00122 0.00130 58 3PX 0.00174 0.00073 0.00073 0.00239 -0.00146 59 3PY -0.00315 -0.00100 0.00109 -0.00011 -0.00048 60 3PZ -0.00040 -0.00389 -0.00143 0.01029 -0.00602 61 4XX -0.00060 -0.00015 0.00066 -0.00025 -0.00004 62 4YY 0.00105 0.00011 -0.00051 0.00016 0.00010 63 4ZZ 0.00011 0.00021 0.00040 0.00025 -0.00017 64 4XY 0.00001 0.00034 0.00039 0.00005 -0.00010 65 4XZ 0.00017 0.00025 0.00001 -0.00036 0.00027 66 4YZ -0.00001 -0.00015 -0.00009 0.00022 -0.00008 67 8 C 1S 0.00112 -0.00039 -0.00119 0.00022 0.00026 68 2S -0.00197 0.00065 0.00223 -0.00044 -0.00052 69 2PX 0.00486 -0.00070 -0.00420 0.00223 0.00077 70 2PY 0.00151 -0.00014 -0.00267 0.00020 0.00056 71 2PZ -0.00072 -0.00012 0.00083 0.00040 -0.00018 72 3S -0.00400 0.00066 0.00453 -0.00068 -0.00083 73 3PX 0.00284 -0.00075 -0.00368 0.00208 0.00017 74 3PY 0.00017 -0.00005 -0.00264 0.00035 0.00040 75 3PZ -0.00034 -0.00013 0.00062 0.00017 0.00018 76 4XX -0.00037 -0.00007 -0.00010 -0.00028 0.00012 77 4YY 0.00035 0.00006 -0.00013 0.00006 0.00001 78 4ZZ 0.00007 -0.00006 -0.00004 0.00020 -0.00007 79 4XY 0.00008 0.00005 -0.00004 -0.00006 0.00003 80 4XZ 0.00011 0.00020 0.00006 -0.00047 0.00030 81 4YZ -0.00002 0.00003 0.00005 -0.00009 0.00004 82 9 C 1S 0.00008 -0.00006 -0.00001 0.00045 -0.00035 83 2S -0.00000 0.00018 -0.00005 -0.00071 0.00064 84 2PX -0.00044 -0.00027 0.00020 0.00047 -0.00083 85 2PY 0.00051 0.00029 -0.00007 0.00008 0.00022 86 2PZ -0.00036 -0.00005 0.00011 0.00020 -0.00047 87 3S -0.00061 0.00152 0.00037 -0.00459 0.00244 88 3PX -0.00050 -0.00008 -0.00010 -0.00042 0.00004 89 3PY 0.00065 0.00044 0.00011 -0.00063 0.00044 90 3PZ -0.00002 -0.00016 0.00012 0.00069 -0.00056 91 4XX -0.00010 -0.00002 0.00012 0.00013 -0.00013 92 4YY 0.00003 -0.00001 -0.00008 -0.00005 0.00004 93 4ZZ 0.00005 -0.00000 -0.00007 0.00001 0.00003 94 4XY -0.00000 -0.00001 0.00002 0.00004 -0.00004 95 4XZ -0.00001 0.00001 0.00006 0.00001 -0.00002 96 4YZ -0.00003 0.00001 0.00006 0.00000 -0.00002 97 10 C 1S 0.00012 0.00008 -0.00014 -0.00007 0.00013 98 2S -0.00029 -0.00003 0.00032 0.00004 -0.00022 99 2PX 0.00052 0.00005 -0.00053 -0.00022 0.00050 100 2PY -0.00000 -0.00003 -0.00016 -0.00010 0.00014 101 2PZ 0.00012 -0.00020 -0.00001 0.00042 -0.00032 102 3S -0.00021 -0.00059 0.00074 0.00195 -0.00140 103 3PX 0.00021 0.00029 -0.00037 -0.00093 0.00071 104 3PY -0.00009 0.00017 -0.00022 -0.00089 0.00050 105 3PZ 0.00014 -0.00013 0.00009 0.00044 -0.00028 106 4XX 0.00004 0.00001 -0.00002 -0.00002 0.00003 107 4YY -0.00001 -0.00000 0.00001 -0.00001 -0.00000 108 4ZZ 0.00000 0.00000 -0.00001 0.00001 -0.00000 109 4XY -0.00003 -0.00001 0.00002 -0.00001 -0.00002 110 4XZ 0.00004 -0.00001 -0.00005 -0.00001 0.00003 111 4YZ -0.00001 0.00001 0.00001 -0.00001 0.00000 112 11 C 1S 0.00005 0.00001 -0.00004 0.00002 0.00001 113 2S -0.00012 -0.00002 0.00008 -0.00008 0.00000 114 2PX 0.00016 0.00006 -0.00009 0.00001 0.00005 115 2PY 0.00006 0.00005 0.00007 0.00003 -0.00004 116 2PZ 0.00014 -0.00001 -0.00021 0.00001 0.00003 117 3S -0.00022 -0.00006 0.00021 0.00014 -0.00012 118 3PX 0.00004 -0.00006 0.00007 0.00016 -0.00012 119 3PY -0.00006 0.00005 0.00015 -0.00018 0.00002 120 3PZ 0.00008 -0.00006 -0.00029 0.00010 -0.00001 121 4XX 0.00003 0.00001 -0.00001 -0.00000 0.00001 122 4YY -0.00001 -0.00000 0.00001 0.00000 -0.00000 123 4ZZ -0.00001 -0.00000 0.00001 -0.00000 -0.00000 124 4XY -0.00001 0.00000 0.00001 0.00001 -0.00001 125 4XZ 0.00001 -0.00000 -0.00000 0.00000 0.00000 126 4YZ 0.00000 0.00001 -0.00001 -0.00001 0.00001 127 12 H 1S 0.00008 0.00004 -0.00003 0.00000 0.00001 128 2S 0.00014 0.00008 -0.00010 -0.00000 0.00005 129 13 H 1S -0.00006 -0.00003 0.00011 0.00004 -0.00006 130 2S 0.00006 -0.00012 -0.00020 0.00032 -0.00014 131 14 H 1S -0.00001 0.00000 -0.00004 -0.00006 0.00003 132 2S 0.00006 0.00006 0.00006 -0.00010 0.00008 133 15 C 1S -0.00005 -0.00003 0.00001 0.00002 -0.00004 134 2S 0.00011 0.00007 -0.00000 -0.00009 0.00011 135 2PX -0.00009 -0.00007 -0.00005 -0.00001 -0.00006 136 2PY 0.00011 0.00002 -0.00012 -0.00012 0.00012 137 2PZ 0.00048 -0.00008 -0.00047 -0.00003 0.00024 138 3S 0.00023 0.00011 -0.00025 -0.00036 0.00032 139 3PX 0.00012 -0.00015 -0.00012 0.00040 -0.00015 140 3PY 0.00005 -0.00001 -0.00014 -0.00007 0.00009 141 3PZ 0.00034 -0.00002 -0.00040 -0.00022 0.00029 142 4XX -0.00003 -0.00000 0.00002 -0.00001 -0.00001 143 4YY 0.00001 0.00001 -0.00001 -0.00002 0.00002 144 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 145 4XY 0.00000 -0.00000 -0.00001 0.00001 -0.00000 146 4XZ 0.00000 0.00001 -0.00001 -0.00002 0.00002 147 4YZ 0.00001 -0.00001 -0.00001 0.00001 -0.00000 148 16 C 1S 0.00003 0.00001 -0.00002 -0.00002 0.00003 149 2S -0.00006 -0.00003 0.00003 0.00004 -0.00007 150 2PX 0.00013 0.00002 -0.00008 -0.00002 0.00011 151 2PY 0.00003 0.00003 0.00001 -0.00004 0.00002 152 2PZ 0.00003 0.00002 -0.00010 -0.00012 0.00010 153 3S -0.00023 0.00000 0.00024 -0.00003 -0.00015 154 3PX 0.00012 -0.00001 -0.00013 0.00003 0.00007 155 3PY 0.00008 -0.00001 -0.00002 0.00009 -0.00001 156 3PZ 0.00000 0.00003 -0.00003 -0.00011 0.00007 157 4XX -0.00001 0.00000 0.00001 -0.00001 -0.00000 158 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 159 4ZZ 0.00001 -0.00000 -0.00001 -0.00000 0.00001 160 4XY -0.00001 -0.00000 0.00002 0.00001 -0.00001 161 4XZ -0.00002 0.00000 0.00002 0.00001 -0.00001 162 4YZ -0.00001 0.00000 0.00001 0.00001 -0.00001 163 17 O 1S 0.00001 0.00000 -0.00000 0.00001 -0.00000 164 2S -0.00000 -0.00000 0.00001 0.00001 -0.00001 165 2PX -0.00007 -0.00002 0.00006 -0.00001 -0.00004 166 2PY -0.00004 -0.00000 -0.00004 -0.00001 0.00001 167 2PZ -0.00025 0.00003 0.00023 0.00008 -0.00016 168 3S -0.00007 0.00002 -0.00000 -0.00011 0.00003 169 3PX -0.00006 -0.00002 0.00007 0.00001 -0.00005 170 3PY -0.00001 -0.00001 -0.00002 0.00002 -0.00001 171 3PZ -0.00019 0.00001 0.00019 0.00008 -0.00013 172 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 173 4YY 0.00001 -0.00000 0.00000 0.00001 -0.00000 174 4ZZ 0.00000 -0.00000 0.00000 0.00001 -0.00000 175 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 176 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 177 4YZ 0.00001 -0.00000 -0.00001 0.00000 0.00000 178 18 H 1S 0.00003 -0.00000 -0.00005 0.00001 0.00003 179 2S 0.00010 0.00002 -0.00010 -0.00003 0.00011 180 19 H 1S 0.00006 0.00003 -0.00002 -0.00002 0.00006 181 2S 0.00002 0.00002 -0.00009 -0.00004 0.00010 182 20 H 1S 0.00007 0.00015 -0.00013 -0.00024 0.00025 183 2S 0.00003 -0.00038 -0.00039 0.00104 -0.00037 184 21 H 1S -0.00010 -0.00007 -0.00026 -0.00044 0.00022 185 2S 0.00068 -0.00015 -0.00070 0.00015 0.00001 186 22 H 1S 0.00007 -0.00037 -0.00021 0.00118 -0.00065 187 2S 0.00009 -0.00097 -0.00090 0.00227 -0.00101 188 23 H 1S 0.00109 0.00027 -0.00057 0.00014 0.00003 189 2S 0.00307 0.00013 -0.00049 0.00031 0.00004 190 24 H 1S 0.00818 0.00026 -0.00644 0.00093 0.00125 191 2S 0.01009 0.00078 -0.00438 0.00174 0.00077 192 25 H 1S 0.00751 -0.00010 0.00475 0.00085 -0.00088 193 2S 0.00803 0.00039 0.00119 0.00134 -0.00019 194 26 H 1S -0.00247 0.00280 -0.00103 -0.00759 -0.00130 195 2S -0.00196 0.00354 -0.00321 -0.00806 0.00064 196 27 H 1S -0.00253 -0.00170 -0.00052 0.00564 0.00157 197 2S -0.00204 -0.00168 -0.00323 0.00724 0.00054 31 32 33 34 35 31 3 C 1S 2.05071 32 2S -0.05248 0.29852 33 2PX -0.00032 0.00133 0.40630 34 2PY -0.00120 0.00328 0.00338 0.38964 35 2PZ 0.00013 -0.00036 -0.00105 -0.00071 0.40079 36 3S -0.18722 0.28934 0.00781 -0.06581 -0.00265 37 3PX -0.00069 0.00144 0.19653 -0.00745 -0.00205 38 3PY 0.00171 0.00183 0.00298 0.19938 -0.00083 39 3PZ -0.00005 -0.00000 -0.00123 0.00126 0.18619 40 4XX -0.01870 0.00034 0.00752 0.01286 -0.00772 41 4YY -0.01660 -0.00423 0.00621 -0.01494 -0.00129 42 4ZZ -0.01850 -0.00010 -0.01488 0.00860 0.00924 43 4XY -0.00031 0.00098 0.01625 0.00625 -0.00079 44 4XZ 0.00004 -0.00008 -0.00864 -0.00077 -0.01836 45 4YZ 0.00006 -0.00019 -0.00078 -0.00127 0.01118 46 4 H 1S -0.05348 0.10386 0.23150 0.12662 -0.04114 47 2S -0.00600 0.02398 0.18990 0.11130 -0.03304 48 5 H 1S -0.05235 0.10080 -0.17286 0.07377 -0.18489 49 2S -0.00684 0.02384 -0.14639 0.06161 -0.16260 50 6 H 1S -0.05229 0.10071 -0.09776 0.07187 0.23419 51 2S -0.00665 0.02359 -0.08132 0.06034 0.20483 52 7 C 1S -0.00406 0.00895 0.00822 -0.01458 -0.00163 53 2S 0.00844 -0.01896 -0.02104 0.03520 0.00460 54 2PX -0.00740 0.01801 0.00975 -0.03532 -0.00860 55 2PY 0.01166 -0.02540 -0.01790 0.03940 0.00369 56 2PZ 0.00157 -0.00386 -0.00899 0.00714 -0.03280 57 3S 0.00856 -0.01979 -0.03282 0.04089 0.00193 58 3PX -0.00585 0.00805 0.00468 -0.05545 -0.00852 59 3PY 0.00007 -0.00409 0.00361 -0.01497 -0.00382 60 3PZ 0.00139 -0.00219 -0.00959 0.01086 -0.03751 61 4XX 0.00129 -0.00218 -0.00048 0.00536 -0.00015 62 4YY -0.00200 0.00382 0.00256 -0.01012 -0.00049 63 4ZZ -0.00029 0.00046 -0.00027 -0.00004 0.00020 64 4XY 0.00100 -0.00180 -0.00246 0.00530 0.00075 65 4XZ -0.00036 0.00060 -0.00007 -0.00126 -0.00033 66 4YZ -0.00019 0.00034 0.00073 -0.00099 0.00096 67 8 C 1S -0.00225 0.00408 0.00769 -0.00471 -0.00161 68 2S 0.00389 -0.00840 -0.01595 0.00641 0.00216 69 2PX -0.00752 0.01425 0.01801 -0.02432 -0.00433 70 2PY 0.00443 -0.01064 -0.03271 -0.01726 0.00689 71 2PZ 0.00107 -0.00190 -0.00192 0.00479 -0.00164 72 3S 0.01318 -0.01929 -0.04000 0.05897 0.01303 73 3PX -0.00433 0.00608 -0.00086 -0.03425 -0.00187 74 3PY 0.00425 -0.00849 -0.03047 -0.01318 0.00727 75 3PZ -0.00011 0.00079 0.00733 0.00628 0.00698 76 4XX 0.00009 -0.00048 0.00004 0.00219 0.00037 77 4YY -0.00010 -0.00004 -0.00138 -0.00274 0.00015 78 4ZZ -0.00039 0.00051 0.00078 -0.00012 -0.00065 79 4XY 0.00014 -0.00009 -0.00127 -0.00018 0.00035 80 4XZ -0.00010 0.00021 0.00040 -0.00056 0.00142 81 4YZ -0.00016 0.00030 0.00104 0.00018 0.00025 82 9 C 1S 0.00020 -0.00043 -0.00130 -0.00048 -0.00090 83 2S -0.00053 0.00115 0.00306 0.00102 0.00284 84 2PX 0.00123 -0.00249 -0.00488 0.00103 -0.00116 85 2PY -0.00152 0.00331 0.00440 -0.00214 -0.00149 86 2PZ 0.00144 -0.00240 -0.00661 -0.00001 -0.00169 87 3S -0.00014 -0.00060 0.00412 0.00146 0.00265 88 3PX 0.00082 -0.00155 0.00025 0.00171 0.00280 89 3PY -0.00135 0.00190 0.00355 -0.00387 -0.00032 90 3PZ 0.00130 -0.00242 -0.00993 0.00040 -0.00168 91 4XX 0.00014 -0.00022 -0.00036 0.00040 -0.00053 92 4YY 0.00012 -0.00025 -0.00070 -0.00045 0.00053 93 4ZZ -0.00018 0.00037 0.00066 -0.00028 -0.00003 94 4XY -0.00007 0.00018 0.00054 0.00009 -0.00021 95 4XZ 0.00001 0.00001 0.00001 0.00007 -0.00009 96 4YZ -0.00007 0.00019 0.00064 0.00032 -0.00018 97 10 C 1S -0.00007 0.00002 -0.00017 -0.00085 0.00058 98 2S 0.00034 -0.00060 -0.00026 0.00118 -0.00058 99 2PX -0.00038 0.00084 0.00016 -0.00249 0.00152 100 2PY -0.00020 -0.00019 0.00064 0.00014 0.00064 101 2PZ -0.00010 0.00054 0.00020 0.00069 -0.00168 102 3S -0.00077 0.00133 0.00299 0.00485 -0.00683 103 3PX -0.00021 -0.00056 0.00162 -0.00421 0.00278 104 3PY -0.00039 0.00123 0.00301 -0.00091 0.00044 105 3PZ -0.00018 0.00067 0.00044 -0.00092 -0.00136 106 4XX -0.00005 0.00010 0.00010 -0.00015 0.00025 107 4YY 0.00004 -0.00011 -0.00015 -0.00007 0.00009 108 4ZZ 0.00002 -0.00006 -0.00013 -0.00019 -0.00001 109 4XY 0.00006 -0.00013 -0.00013 0.00025 0.00001 110 4XZ -0.00007 0.00013 0.00018 -0.00015 0.00008 111 4YZ -0.00000 0.00001 0.00007 0.00003 -0.00000 112 11 C 1S -0.00008 0.00009 0.00018 -0.00035 -0.00008 113 2S 0.00001 -0.00010 0.00051 0.00086 -0.00004 114 2PX -0.00017 -0.00013 0.00029 -0.00050 0.00028 115 2PY -0.00002 0.00061 0.00007 -0.00032 -0.00044 116 2PZ 0.00009 0.00004 -0.00102 -0.00111 0.00006 117 3S 0.00068 -0.00159 -0.00464 0.00052 0.00134 118 3PX -0.00087 0.00120 0.00249 0.00004 -0.00152 119 3PY -0.00052 0.00122 0.00261 -0.00030 -0.00107 120 3PZ 0.00033 -0.00047 -0.00218 -0.00031 -0.00026 121 4XX -0.00006 0.00006 0.00011 -0.00020 -0.00001 122 4YY 0.00000 -0.00003 0.00005 0.00014 0.00001 123 4ZZ -0.00002 0.00003 0.00012 0.00007 -0.00005 124 4XY -0.00000 -0.00005 -0.00001 -0.00003 -0.00003 125 4XZ -0.00002 0.00001 0.00002 -0.00006 0.00001 126 4YZ 0.00002 -0.00004 -0.00013 -0.00012 0.00007 127 12 H 1S -0.00009 -0.00005 0.00012 -0.00041 0.00004 128 2S 0.00032 -0.00062 -0.00118 -0.00054 0.00073 129 13 H 1S -0.00014 0.00032 0.00064 0.00032 -0.00040 130 2S 0.00043 -0.00046 -0.00142 0.00102 -0.00081 131 14 H 1S 0.00013 0.00016 -0.00063 -0.00034 -0.00003 132 2S -0.00022 0.00065 0.00244 0.00018 0.00032 133 15 C 1S 0.00005 -0.00022 -0.00014 0.00025 -0.00005 134 2S -0.00016 0.00041 0.00047 -0.00049 0.00024 135 2PX -0.00002 -0.00025 0.00017 0.00057 0.00007 136 2PY 0.00000 0.00018 -0.00032 -0.00091 0.00051 137 2PZ -0.00083 0.00187 0.00264 -0.00147 0.00076 138 3S -0.00038 0.00204 0.00163 -0.00138 -0.00007 139 3PX -0.00047 0.00073 0.00217 0.00051 -0.00027 140 3PY 0.00026 0.00014 -0.00143 0.00034 0.00070 141 3PZ -0.00061 0.00135 0.00179 -0.00063 0.00115 142 4XX 0.00003 -0.00004 -0.00001 0.00008 -0.00006 143 4YY -0.00002 0.00003 0.00006 -0.00001 0.00008 144 4ZZ -0.00001 0.00001 0.00004 0.00002 -0.00002 145 4XY -0.00001 -0.00000 0.00003 -0.00003 0.00002 146 4XZ -0.00002 0.00001 0.00008 -0.00006 0.00008 147 4YZ -0.00001 0.00003 0.00003 0.00003 -0.00004 148 16 C 1S -0.00005 0.00009 0.00015 -0.00015 0.00007 149 2S 0.00007 -0.00016 -0.00013 0.00025 -0.00020 150 2PX -0.00019 0.00042 0.00051 -0.00061 0.00034 151 2PY -0.00007 0.00005 0.00024 -0.00011 0.00010 152 2PZ -0.00015 0.00025 0.00071 -0.00014 0.00051 153 3S 0.00045 -0.00127 -0.00221 0.00074 -0.00027 154 3PX -0.00031 0.00070 0.00131 -0.00062 0.00008 155 3PY -0.00024 0.00025 0.00069 -0.00022 -0.00001 156 3PZ -0.00005 0.00006 0.00035 -0.00020 0.00041 157 4XX 0.00000 -0.00003 -0.00005 -0.00000 0.00001 158 4YY -0.00001 0.00001 0.00002 -0.00001 -0.00002 159 4ZZ -0.00002 0.00005 0.00008 -0.00005 0.00001 160 4XY 0.00001 -0.00003 -0.00001 0.00008 -0.00004 161 4XZ 0.00004 -0.00009 -0.00014 0.00008 -0.00006 162 4YZ 0.00003 -0.00006 -0.00010 0.00003 -0.00005 163 17 O 1S -0.00001 -0.00002 -0.00001 -0.00003 0.00001 164 2S -0.00001 0.00006 0.00007 0.00007 -0.00002 165 2PX 0.00006 -0.00020 -0.00022 0.00022 0.00005 166 2PY 0.00011 -0.00006 -0.00037 0.00005 -0.00010 167 2PZ 0.00044 -0.00101 -0.00144 0.00073 -0.00075 168 3S 0.00019 0.00003 -0.00021 0.00022 -0.00003 169 3PX 0.00007 -0.00027 -0.00036 0.00026 0.00004 170 3PY -0.00000 0.00003 -0.00010 -0.00004 -0.00015 171 3PZ 0.00034 -0.00077 -0.00118 0.00060 -0.00068 172 4XX -0.00001 -0.00000 0.00001 -0.00001 0.00000 173 4YY -0.00001 0.00000 0.00002 -0.00001 0.00002 174 4ZZ -0.00001 -0.00001 -0.00000 0.00001 0.00000 175 4XY 0.00001 0.00000 0.00000 0.00001 -0.00001 176 4XZ -0.00000 0.00001 0.00001 -0.00000 0.00001 177 4YZ -0.00002 0.00003 0.00004 -0.00003 0.00001 178 18 H 1S -0.00001 0.00010 -0.00003 -0.00023 0.00008 179 2S -0.00010 0.00029 0.00017 -0.00053 0.00035 180 19 H 1S -0.00013 0.00020 0.00042 -0.00012 0.00014 181 2S 0.00004 -0.00012 -0.00060 0.00057 0.00080 182 20 H 1S -0.00038 0.00119 0.00178 -0.00068 -0.00068 183 2S -0.00116 0.00270 0.00819 -0.00052 -0.00035 184 21 H 1S 0.00096 -0.00222 -0.00425 -0.00077 0.00282 185 2S 0.00046 -0.00145 -0.00593 -0.00783 0.00176 186 22 H 1S -0.00175 0.00332 0.00751 0.00083 -0.00425 187 2S -0.00271 0.00533 0.01499 0.00037 -0.00627 188 23 H 1S 0.00276 -0.00663 -0.01537 -0.00881 0.00280 189 2S -0.00436 0.00523 0.01318 -0.01981 -0.00516 190 24 H 1S -0.00810 0.01606 0.00887 -0.03879 -0.00178 191 2S -0.01367 0.02667 0.02466 -0.08381 -0.00587 192 25 H 1S -0.00858 0.01792 -0.00605 -0.03092 0.00114 193 2S -0.01249 0.02633 -0.01875 -0.06344 0.00376 194 26 H 1S 0.00346 -0.00793 0.00509 0.01114 -0.01204 195 2S 0.00073 -0.00338 -0.00346 0.01030 0.00250 196 27 H 1S 0.00350 -0.00808 0.00876 0.01116 0.00931 197 2S 0.00087 -0.00369 -0.00475 0.01072 -0.00130 36 37 38 39 40 36 3S 0.32084 37 3PX 0.00809 0.09630 38 3PY -0.04230 -0.00308 0.10838 39 3PZ -0.00162 -0.00126 0.00035 0.08771 40 4XX -0.00042 0.00338 0.00642 -0.00347 0.00089 41 4YY -0.00177 0.00330 -0.00670 -0.00065 -0.00022 42 4ZZ -0.00017 -0.00738 0.00412 0.00427 -0.00000 43 4XY -0.00052 0.00730 0.00335 -0.00040 0.00048 44 4XZ 0.00011 -0.00402 -0.00043 -0.00828 0.00019 45 4YZ 0.00008 -0.00042 -0.00061 0.00469 -0.00031 46 4 H 1S 0.08279 0.10836 0.06537 -0.01882 0.00952 47 2S 0.00045 0.08649 0.05745 -0.01469 0.00775 48 5 H 1S 0.08609 -0.08362 0.03706 -0.08394 0.00336 49 2S 0.01134 -0.07016 0.03069 -0.07162 0.00290 50 6 H 1S 0.08519 -0.04943 0.03611 0.10790 -0.00361 51 2S 0.01023 -0.04153 0.03049 0.09197 -0.00359 52 7 C 1S 0.01160 0.00369 -0.00848 -0.00072 -0.00038 53 2S -0.02891 -0.01218 0.02020 0.00221 0.00091 54 2PX 0.02053 -0.00544 -0.02566 0.00080 -0.00035 55 2PY -0.08113 -0.00700 0.04796 0.00095 0.00122 56 2PZ -0.00402 0.00096 0.00305 0.00124 0.00208 57 3S -0.02613 -0.01627 0.02134 0.00178 0.00100 58 3PX 0.02063 0.00045 -0.03349 -0.00113 -0.00111 59 3PY -0.01226 0.00429 -0.00026 -0.00198 -0.00015 60 3PZ -0.00438 -0.00172 0.00489 -0.00523 0.00190 61 4XX -0.00604 -0.00043 0.00476 -0.00016 0.00009 62 4YY 0.00905 0.00128 -0.00765 -0.00026 -0.00023 63 4ZZ 0.00050 -0.00002 -0.00006 0.00026 0.00000 64 4XY -0.00283 -0.00194 0.00187 0.00051 0.00013 65 4XZ 0.00152 -0.00013 -0.00107 -0.00059 -0.00007 66 4YZ 0.00051 0.00057 -0.00033 0.00073 -0.00002 67 8 C 1S 0.01039 0.00618 -0.00111 -0.00072 -0.00019 68 2S -0.01446 -0.01160 0.00002 0.00155 -0.00003 69 2PX 0.04977 0.02038 -0.01593 -0.00266 -0.00095 70 2PY -0.00972 -0.02078 -0.03002 0.00312 -0.00040 71 2PZ -0.00692 -0.00351 0.00300 0.00291 0.00016 72 3S -0.04498 -0.02508 0.03372 0.00695 0.00077 73 3PX 0.03081 0.00583 -0.02189 -0.00018 -0.00118 74 3PY -0.00600 -0.01646 -0.01749 0.00366 -0.00061 75 3PZ -0.00247 0.00245 0.00408 0.00496 0.00020 76 4XX -0.00185 -0.00002 0.00213 -0.00003 0.00005 77 4YY 0.00099 -0.00116 -0.00320 0.00006 -0.00006 78 4ZZ 0.00125 0.00105 0.00059 -0.00018 -0.00001 79 4XY -0.00003 -0.00093 -0.00039 0.00021 -0.00003 80 4XZ 0.00064 0.00010 -0.00041 0.00014 -0.00010 81 4YZ 0.00043 0.00076 0.00051 -0.00006 -0.00001 82 9 C 1S -0.00099 -0.00081 -0.00051 -0.00032 0.00012 83 2S 0.00249 0.00258 0.00187 0.00063 -0.00019 84 2PX -0.00890 -0.00595 -0.00098 -0.00163 0.00042 85 2PY 0.00755 0.00628 0.00082 0.00074 -0.00020 86 2PZ -0.01327 -0.00450 -0.00069 0.00013 0.00027 87 3S -0.00144 0.00222 0.00329 -0.00416 -0.00048 88 3PX -0.00519 -0.00159 0.00033 0.00006 0.00019 89 3PY 0.00522 0.00315 -0.00182 -0.00024 -0.00025 90 3PZ -0.00721 -0.00564 -0.00048 0.00022 0.00005 91 4XX -0.00091 -0.00045 0.00037 0.00000 0.00004 92 4YY -0.00028 -0.00062 -0.00075 0.00012 -0.00002 93 4ZZ 0.00097 0.00078 0.00001 -0.00000 -0.00002 94 4XY 0.00025 0.00027 0.00027 -0.00011 0.00001 95 4XZ 0.00020 -0.00008 0.00011 -0.00002 -0.00001 96 4YZ -0.00013 0.00048 0.00065 -0.00002 0.00001 97 10 C 1S 0.00185 0.00041 -0.00172 0.00004 -0.00009 98 2S -0.00285 -0.00104 0.00171 -0.00021 0.00012 99 2PX 0.00322 0.00123 -0.00109 0.00122 -0.00024 100 2PY 0.00412 0.00163 -0.00052 -0.00022 -0.00015 101 2PZ -0.00180 -0.00137 0.00277 -0.00047 0.00009 102 3S -0.00150 0.00101 0.00441 -0.00074 0.00052 103 3PX 0.00139 0.00093 -0.00302 0.00051 -0.00027 104 3PY 0.00238 0.00192 0.00003 -0.00120 -0.00007 105 3PZ 0.00005 -0.00053 0.00120 -0.00018 0.00001 106 4XX 0.00036 0.00013 -0.00006 0.00009 -0.00002 107 4YY -0.00016 -0.00015 -0.00009 0.00005 -0.00000 108 4ZZ -0.00006 -0.00003 -0.00017 0.00001 -0.00001 109 4XY -0.00021 -0.00015 0.00006 -0.00012 0.00001 110 4XZ 0.00064 0.00015 -0.00005 -0.00001 -0.00002 111 4YZ -0.00008 0.00008 -0.00002 0.00004 0.00000 112 11 C 1S 0.00057 0.00019 -0.00063 -0.00013 -0.00002 113 2S 0.00013 0.00030 0.00127 0.00008 0.00002 114 2PX 0.00263 0.00147 -0.00122 -0.00147 -0.00002 115 2PY -0.00227 -0.00068 0.00063 0.00046 0.00007 116 2PZ -0.00310 -0.00128 -0.00157 0.00089 -0.00000 117 3S -0.00136 -0.00234 0.00119 0.00077 -0.00012 118 3PX 0.00228 0.00218 0.00053 -0.00146 0.00008 119 3PY -0.00039 0.00098 0.00112 -0.00057 0.00008 120 3PZ -0.00134 -0.00129 -0.00087 0.00021 -0.00001 121 4XX 0.00019 0.00009 -0.00022 -0.00006 -0.00000 122 4YY -0.00005 0.00003 0.00011 0.00001 0.00000 123 4ZZ -0.00013 0.00001 0.00014 0.00003 0.00001 124 4XY 0.00006 0.00003 -0.00007 -0.00008 0.00000 125 4XZ 0.00028 0.00005 -0.00004 -0.00006 -0.00000 126 4YZ -0.00009 -0.00006 -0.00022 0.00006 -0.00000 127 12 H 1S 0.00124 0.00071 -0.00073 -0.00073 0.00000 128 2S 0.00030 -0.00037 -0.00184 0.00005 -0.00003 129 13 H 1S 0.00112 0.00021 0.00141 -0.00006 0.00002 130 2S 0.00069 -0.00068 0.00111 -0.00009 0.00003 131 14 H 1S -0.00300 -0.00118 0.00001 0.00118 0.00002 132 2S -0.00236 0.00055 -0.00020 0.00124 0.00008 133 15 C 1S 0.00014 -0.00016 -0.00023 -0.00016 0.00000 134 2S 0.00008 0.00047 0.00042 0.00043 -0.00002 135 2PX 0.00134 -0.00029 -0.00005 -0.00078 -0.00002 136 2PY -0.00085 -0.00079 -0.00037 0.00055 -0.00002 137 2PZ 0.00466 0.00092 0.00192 0.00013 -0.00015 138 3S 0.00306 0.00193 0.00108 -0.00060 -0.00008 139 3PX 0.00271 0.00154 0.00064 -0.00008 0.00003 140 3PY 0.00007 -0.00071 0.00029 0.00025 -0.00004 141 3PZ 0.00361 0.00049 0.00156 0.00004 -0.00013 142 4XX -0.00024 -0.00012 0.00001 -0.00006 0.00001 143 4YY 0.00024 0.00014 0.00001 0.00002 -0.00001 144 4ZZ -0.00001 0.00001 0.00002 -0.00002 0.00000 145 4XY 0.00011 0.00003 -0.00006 -0.00001 -0.00000 146 4XZ 0.00018 0.00011 -0.00009 0.00003 -0.00001 147 4YZ 0.00001 -0.00001 0.00008 -0.00001 0.00000 148 16 C 1S 0.00034 0.00021 -0.00005 0.00008 -0.00002 149 2S -0.00025 -0.00027 0.00000 -0.00018 0.00003 150 2PX 0.00085 0.00084 0.00024 0.00018 -0.00004 151 2PY 0.00111 0.00051 0.00036 -0.00020 0.00001 152 2PZ 0.00171 0.00019 -0.00053 0.00015 -0.00005 153 3S -0.00345 -0.00237 -0.00022 -0.00022 0.00007 154 3PX 0.00181 0.00129 0.00020 -0.00018 -0.00003 155 3PY 0.00079 0.00055 -0.00004 0.00011 0.00000 156 3PZ 0.00088 0.00011 -0.00042 0.00015 -0.00004 157 4XX -0.00011 -0.00004 0.00001 -0.00004 0.00000 158 4YY 0.00001 0.00003 -0.00007 0.00007 -0.00000 159 4ZZ 0.00010 0.00004 0.00004 -0.00001 -0.00000 160 4XY -0.00000 0.00002 0.00011 -0.00010 0.00001 161 4XZ -0.00023 -0.00005 -0.00012 0.00001 0.00001 162 4YZ -0.00013 -0.00005 -0.00012 0.00001 0.00000 163 17 O 1S 0.00023 0.00013 0.00003 -0.00005 -0.00000 164 2S -0.00050 -0.00023 0.00003 0.00010 0.00001 165 2PX -0.00102 -0.00036 0.00080 -0.00112 0.00004 166 2PY -0.00107 -0.00077 -0.00141 0.00099 -0.00002 167 2PZ -0.00142 -0.00057 -0.00205 0.00021 0.00007 168 3S -0.00090 -0.00057 -0.00013 0.00014 -0.00001 169 3PX -0.00095 -0.00042 0.00057 -0.00078 0.00004 170 3PY -0.00057 -0.00036 -0.00083 0.00061 -0.00001 171 3PZ -0.00136 -0.00049 -0.00143 0.00012 0.00006 172 4XX 0.00004 0.00001 -0.00003 0.00004 -0.00000 173 4YY 0.00004 0.00004 0.00007 -0.00004 0.00000 174 4ZZ -0.00002 -0.00000 -0.00002 0.00002 0.00000 175 4XY 0.00004 0.00001 0.00000 0.00002 -0.00000 176 4XZ -0.00002 0.00000 0.00005 -0.00001 -0.00000 177 4YZ 0.00001 0.00001 0.00008 -0.00001 -0.00000 178 18 H 1S -0.00034 -0.00007 -0.00044 0.00044 -0.00002 179 2S 0.00014 0.00019 -0.00078 0.00087 -0.00006 180 19 H 1S 0.00128 0.00094 0.00011 0.00002 -0.00004 181 2S 0.00136 0.00056 0.00016 0.00019 -0.00006 182 20 H 1S -0.00088 0.00316 0.00105 0.00038 -0.00005 183 2S 0.00172 0.00707 0.00120 0.00174 0.00022 184 21 H 1S -0.00410 -0.00469 -0.00293 -0.00002 -0.00003 185 2S 0.00023 -0.00565 -0.00949 0.00019 -0.00016 186 22 H 1S 0.01033 0.00840 0.00419 -0.00254 0.00005 187 2S 0.01166 0.01321 0.00460 -0.00192 0.00038 188 23 H 1S -0.00671 -0.01290 -0.02105 0.00138 0.00002 189 2S 0.01230 0.00199 -0.02580 -0.00261 0.00022 190 24 H 1S 0.05612 0.00342 -0.03986 -0.00054 -0.00103 191 2S 0.07673 0.01303 -0.06474 -0.00283 -0.00203 192 25 H 1S 0.04383 0.00409 -0.01953 -0.00071 -0.00130 193 2S 0.06049 -0.00258 -0.03890 0.00062 -0.00254 194 26 H 1S -0.00825 0.00115 0.00000 -0.01373 0.00089 195 2S -0.00025 -0.00283 -0.00017 -0.00808 0.00022 196 27 H 1S -0.00827 0.00547 -0.00084 0.01236 0.00124 197 2S -0.00052 -0.00029 -0.00121 0.00851 0.00128 41 42 43 44 45 41 4YY 0.00107 42 4ZZ -0.00048 0.00114 43 4XY 0.00005 -0.00049 0.00112 44 4XZ -0.00005 -0.00014 -0.00035 0.00109 45 4YZ -0.00001 0.00031 -0.00005 -0.00064 0.00075 46 4 H 1S -0.00210 -0.00643 0.01233 -0.00334 -0.00216 47 2S -0.00116 -0.00550 0.01112 -0.00278 -0.00201 48 5 H 1S -0.00608 0.00392 -0.00568 0.01240 -0.00608 49 2S -0.00445 0.00273 -0.00567 0.01139 -0.00673 50 6 H 1S -0.00623 0.01103 -0.00310 -0.00920 0.00750 51 2S -0.00464 0.00940 -0.00286 -0.00872 0.00811 52 7 C 1S -0.00000 -0.00057 0.00193 -0.00001 -0.00035 53 2S -0.00020 0.00130 -0.00364 -0.00001 0.00078 54 2PX -0.00130 -0.00152 0.00571 0.00112 -0.00352 55 2PY 0.00123 0.00070 -0.00576 -0.00014 0.00110 56 2PZ 0.00038 -0.00180 -0.00365 0.00604 -0.01201 57 3S -0.00102 0.00187 -0.00398 0.00065 0.00001 58 3PX 0.00105 -0.00173 0.00057 0.00106 -0.00211 59 3PY 0.00120 -0.00072 -0.00234 0.00018 0.00005 60 3PZ -0.00011 -0.00141 -0.00214 0.00512 -0.00927 61 4XX 0.00008 0.00008 0.00019 -0.00004 0.00011 62 4YY 0.00011 -0.00026 0.00009 -0.00001 -0.00001 63 4ZZ -0.00007 0.00001 0.00010 0.00006 -0.00019 64 4XY -0.00035 0.00021 0.00027 0.00002 -0.00008 65 4XZ -0.00004 0.00004 0.00009 -0.00014 0.00046 66 4YZ 0.00007 -0.00005 -0.00009 0.00002 -0.00016 67 8 C 1S 0.00019 -0.00041 0.00012 -0.00007 0.00003 68 2S -0.00045 0.00047 0.00007 0.00016 -0.00006 69 2PX 0.00143 -0.00062 -0.00118 0.00010 0.00043 70 2PY -0.00093 0.00065 -0.00230 -0.00000 0.00051 71 2PZ -0.00023 0.00015 0.00067 -0.00028 0.00137 72 3S -0.00204 0.00254 0.00047 0.00014 -0.00006 73 3PX 0.00117 -0.00050 -0.00166 0.00058 -0.00045 74 3PY -0.00057 0.00082 -0.00234 0.00024 0.00023 75 3PZ -0.00013 0.00004 0.00059 -0.00065 0.00085 76 4XX 0.00000 0.00006 -0.00010 -0.00008 0.00018 77 4YY -0.00005 -0.00001 0.00001 0.00001 -0.00003 78 4ZZ 0.00008 -0.00003 -0.00003 0.00009 -0.00015 79 4XY -0.00006 0.00005 0.00008 0.00000 0.00002 80 4XZ 0.00000 0.00008 0.00014 -0.00025 0.00052 81 4YZ 0.00004 -0.00001 0.00003 -0.00004 0.00003 82 9 C 1S -0.00011 -0.00009 -0.00011 0.00027 -0.00066 83 2S 0.00020 0.00019 0.00008 -0.00053 0.00120 84 2PX -0.00033 -0.00025 -0.00021 0.00067 -0.00209 85 2PY 0.00026 -0.00011 0.00031 -0.00001 0.00043 86 2PZ -0.00046 0.00000 -0.00014 0.00056 -0.00146 87 3S 0.00023 0.00054 0.00041 -0.00177 0.00431 88 3PX -0.00012 -0.00006 -0.00023 -0.00008 -0.00039 89 3PY 0.00019 -0.00006 0.00057 -0.00029 0.00077 90 3PZ -0.00031 0.00016 -0.00015 0.00063 -0.00120 91 4XX -0.00002 -0.00002 0.00004 0.00008 -0.00016 92 4YY -0.00003 0.00002 -0.00005 -0.00003 0.00003 93 4ZZ 0.00004 -0.00001 -0.00003 -0.00000 0.00001 94 4XY 0.00001 -0.00003 0.00003 0.00002 -0.00008 95 4XZ 0.00000 0.00000 0.00003 -0.00000 0.00003 96 4YZ 0.00001 -0.00001 0.00005 0.00001 -0.00003 97 10 C 1S 0.00009 0.00002 -0.00011 -0.00008 0.00022 98 2S -0.00009 -0.00007 0.00015 0.00012 -0.00036 99 2PX 0.00002 0.00024 -0.00013 -0.00035 0.00104 100 2PY 0.00002 -0.00005 0.00001 -0.00013 0.00025 101 2PZ -0.00008 -0.00006 0.00012 0.00025 -0.00053 102 3S -0.00010 -0.00045 0.00042 0.00095 -0.00212 103 3PX 0.00016 0.00011 -0.00004 -0.00055 0.00118 104 3PY 0.00007 -0.00003 -0.00008 -0.00034 0.00071 105 3PZ 0.00000 -0.00008 0.00013 0.00020 -0.00038 106 4XX 0.00001 0.00001 0.00000 -0.00002 0.00005 107 4YY -0.00001 0.00001 -0.00000 -0.00001 0.00001 108 4ZZ 0.00000 -0.00000 -0.00001 0.00001 -0.00002 109 4XY -0.00001 -0.00001 -0.00000 0.00001 -0.00004 110 4XZ 0.00002 0.00001 -0.00001 -0.00002 0.00007 111 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00001 112 11 C 1S -0.00000 -0.00004 -0.00000 0.00001 -0.00002 113 2S -0.00000 0.00002 0.00002 -0.00004 0.00004 114 2PX -0.00011 -0.00017 0.00002 0.00001 -0.00010 115 2PY 0.00007 0.00008 -0.00004 0.00007 -0.00008 116 2PZ -0.00004 0.00004 -0.00007 -0.00001 0.00002 117 3S -0.00007 0.00018 -0.00008 0.00004 -0.00001 118 3PX -0.00001 -0.00022 0.00006 0.00011 -0.00028 119 3PY 0.00009 -0.00007 0.00007 -0.00001 0.00003 120 3PZ -0.00004 0.00007 -0.00018 0.00007 -0.00005 121 4XX 0.00000 -0.00001 0.00000 -0.00000 -0.00000 122 4YY -0.00000 -0.00000 0.00001 -0.00000 -0.00000 123 4ZZ 0.00001 0.00000 0.00000 0.00000 -0.00000 124 4XY -0.00000 -0.00001 0.00001 0.00001 -0.00003 125 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 126 4YZ 0.00000 0.00001 -0.00001 -0.00001 0.00002 127 12 H 1S -0.00005 -0.00010 0.00001 0.00002 -0.00009 128 2S -0.00006 -0.00002 0.00000 -0.00000 -0.00004 129 13 H 1S 0.00007 0.00003 0.00001 0.00003 -0.00002 130 2S -0.00001 0.00008 -0.00015 0.00017 -0.00023 131 14 H 1S 0.00004 0.00013 -0.00007 -0.00002 0.00009 132 2S 0.00005 0.00003 0.00011 -0.00012 0.00013 133 15 C 1S -0.00001 -0.00003 -0.00001 0.00002 -0.00009 134 2S 0.00001 0.00006 0.00003 -0.00007 0.00022 135 2PX 0.00002 -0.00009 -0.00002 0.00005 -0.00026 136 2PY -0.00001 0.00009 -0.00003 -0.00008 0.00021 137 2PZ 0.00009 0.00007 0.00004 -0.00019 0.00055 138 3S 0.00004 0.00005 -0.00008 -0.00014 0.00045 139 3PX 0.00004 -0.00012 0.00006 0.00009 -0.00028 140 3PY -0.00005 0.00011 -0.00012 -0.00003 0.00012 141 3PZ 0.00005 0.00009 0.00000 -0.00023 0.00059 142 4XX -0.00000 -0.00001 0.00000 0.00001 -0.00003 143 4YY 0.00000 0.00001 0.00000 -0.00002 0.00004 144 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00001 145 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00001 146 4XZ 0.00001 0.00000 -0.00000 -0.00001 0.00003 147 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 148 16 C 1S 0.00001 0.00001 -0.00000 -0.00002 0.00006 149 2S -0.00001 -0.00003 -0.00000 0.00005 -0.00015 150 2PX -0.00000 0.00005 0.00002 -0.00009 0.00032 151 2PY -0.00000 -0.00000 -0.00002 -0.00001 0.00003 152 2PZ 0.00007 0.00001 -0.00001 -0.00008 0.00015 153 3S -0.00007 0.00001 0.00000 0.00010 -0.00027 154 3PX 0.00002 -0.00003 -0.00001 -0.00004 0.00012 155 3PY 0.00001 -0.00002 0.00003 -0.00000 -0.00001 156 3PZ 0.00005 0.00001 -0.00000 -0.00006 0.00012 157 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00001 158 4YY 0.00000 0.00000 0.00000 -0.00000 0.00001 159 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00001 160 4XY -0.00000 -0.00001 0.00000 0.00001 -0.00003 161 4XZ -0.00000 -0.00000 -0.00000 0.00001 -0.00003 162 4YZ -0.00000 -0.00000 -0.00000 0.00001 -0.00002 163 17 O 1S -0.00001 -0.00001 -0.00000 0.00000 -0.00000 164 2S 0.00001 0.00002 0.00000 0.00000 0.00000 165 2PX -0.00007 -0.00005 0.00001 0.00005 -0.00018 166 2PY 0.00007 0.00004 -0.00000 -0.00001 0.00002 167 2PZ 0.00001 -0.00004 -0.00004 0.00013 -0.00032 168 3S 0.00003 0.00004 -0.00002 -0.00002 0.00005 169 3PX -0.00006 -0.00003 0.00001 0.00005 -0.00016 170 3PY 0.00004 0.00002 -0.00000 0.00000 0.00001 171 3PZ -0.00001 -0.00003 -0.00003 0.00011 -0.00027 172 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 173 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 174 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 175 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 176 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 177 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00001 178 18 H 1S 0.00001 0.00003 0.00001 -0.00003 0.00012 179 2S 0.00004 0.00007 0.00001 -0.00009 0.00027 180 19 H 1S 0.00001 0.00000 0.00001 -0.00004 0.00014 181 2S -0.00002 0.00006 -0.00007 -0.00007 0.00019 182 20 H 1S 0.00006 0.00003 0.00003 -0.00002 0.00016 183 2S 0.00018 -0.00034 -0.00021 0.00030 -0.00105 184 21 H 1S -0.00018 0.00019 -0.00030 -0.00022 0.00025 185 2S -0.00016 0.00001 -0.00030 0.00002 -0.00022 186 22 H 1S 0.00056 -0.00036 -0.00050 0.00074 -0.00177 187 2S 0.00066 -0.00075 -0.00082 0.00098 -0.00248 188 23 H 1S -0.00078 0.00012 -0.00054 -0.00002 -0.00008 189 2S -0.00011 -0.00113 0.00091 -0.00024 -0.00024 190 24 H 1S -0.00024 -0.00068 0.00160 0.00006 -0.00029 191 2S 0.00104 -0.00220 0.00147 0.00003 -0.00036 192 25 H 1S -0.00095 0.00044 -0.00270 0.00036 0.00051 193 2S -0.00035 0.00031 -0.00362 0.00055 0.00071 194 26 H 1S -0.00048 -0.00003 -0.00005 -0.00079 0.00003 195 2S -0.00092 0.00094 -0.00075 -0.00170 0.00214 196 27 H 1S -0.00046 -0.00039 -0.00010 0.00025 -0.00001 197 2S -0.00088 -0.00014 -0.00158 0.00155 -0.00175 46 47 48 49 50 46 4 H 1S 0.21339 47 2S 0.15895 0.13529 48 5 H 1S -0.02167 -0.03880 0.21106 49 2S -0.04024 -0.03839 0.16448 0.14709 50 6 H 1S -0.02178 -0.03856 -0.02011 -0.04529 0.21119 51 2S -0.04060 -0.03886 -0.04532 -0.05469 0.16511 52 7 C 1S 0.00620 0.00602 -0.00424 -0.00694 -0.00441 53 2S -0.01348 -0.01071 0.01040 0.01510 0.01164 54 2PX 0.01166 0.02756 -0.00224 -0.00469 -0.02020 55 2PY -0.01840 -0.01817 0.01015 0.02278 0.01057 56 2PZ -0.00319 -0.00376 0.04848 0.08745 -0.04337 57 3S -0.01875 -0.01624 0.01907 0.02541 0.01193 58 3PX -0.00908 -0.00402 -0.00303 0.00110 -0.01948 59 3PY -0.00872 -0.01195 -0.00101 0.00449 -0.00575 60 3PZ 0.00037 0.00133 0.04380 0.07076 -0.03840 61 4XX 0.00076 0.00147 0.00004 -0.00009 0.00043 62 4YY 0.00016 -0.00044 -0.00159 -0.00243 -0.00154 63 4ZZ 0.00016 0.00020 0.00042 0.00077 -0.00022 64 4XY 0.00040 0.00219 0.00085 0.00087 0.00098 65 4XZ -0.00013 -0.00030 -0.00100 -0.00266 0.00091 66 4YZ -0.00007 -0.00040 -0.00027 0.00051 -0.00010 67 8 C 1S 0.00303 -0.00375 -0.00183 -0.00226 -0.00184 68 2S -0.00697 0.00437 0.00338 0.00420 0.00253 69 2PX 0.00199 -0.01927 -0.00381 -0.00561 -0.00386 70 2PY -0.01703 0.00211 0.00456 0.00824 0.00662 71 2PZ 0.00084 0.00515 -0.00242 -0.00688 0.00291 72 3S -0.00772 0.00820 0.01417 0.01445 0.01952 73 3PX -0.01215 -0.02061 -0.00008 0.00226 -0.00547 74 3PY -0.02106 -0.01037 0.00587 0.00952 0.00692 75 3PZ 0.00584 0.00605 -0.00677 -0.00831 0.00528 76 4XX -0.00008 -0.00046 -0.00014 -0.00046 0.00098 77 4YY -0.00064 0.00071 -0.00008 -0.00010 -0.00022 78 4ZZ 0.00010 -0.00104 0.00052 0.00093 -0.00073 79 4XY -0.00058 0.00009 0.00011 -0.00018 0.00036 80 4XZ 0.00008 0.00001 -0.00212 -0.00377 0.00188 81 4YZ 0.00043 -0.00018 -0.00046 -0.00054 0.00010 82 9 C 1S -0.00020 0.00023 0.00214 0.00382 -0.00204 83 2S 0.00055 -0.00170 -0.00442 -0.00765 0.00441 84 2PX -0.00051 0.00538 0.00642 0.01160 -0.00540 85 2PY 0.00043 -0.00305 -0.00161 -0.00267 -0.00056 86 2PZ -0.00205 0.00370 0.00579 0.01180 -0.00414 87 3S 0.00021 -0.00229 -0.01265 -0.02577 0.01147 88 3PX 0.00063 0.00278 -0.00026 0.00139 0.00035 89 3PY 0.00097 -0.00010 -0.00384 -0.00675 0.00043 90 3PZ -0.00434 -0.00008 0.00653 0.01030 -0.00261 91 4XX -0.00000 0.00049 0.00064 0.00098 -0.00065 92 4YY -0.00035 0.00009 -0.00013 -0.00013 0.00041 93 4ZZ 0.00009 -0.00055 -0.00013 -0.00004 -0.00006 94 4XY 0.00031 0.00008 0.00009 0.00019 -0.00037 95 4XZ 0.00003 -0.00002 -0.00007 -0.00030 0.00003 96 4YZ 0.00032 0.00001 -0.00003 0.00006 -0.00025 97 10 C 1S -0.00062 -0.00009 -0.00068 -0.00103 0.00079 98 2S 0.00049 0.00102 0.00090 0.00148 -0.00125 99 2PX -0.00091 -0.00409 -0.00291 -0.00510 0.00340 100 2PY 0.00013 -0.00234 -0.00103 -0.00155 0.00097 101 2PZ 0.00065 -0.00038 0.00188 0.00182 -0.00196 102 3S 0.00463 0.00460 0.00712 0.01185 -0.00853 103 3PX -0.00094 -0.00147 -0.00529 -0.00781 0.00319 104 3PY 0.00100 -0.00127 -0.00248 -0.00461 0.00174 105 3PZ 0.00021 -0.00075 0.00106 0.00105 -0.00178 106 4XX -0.00006 -0.00016 -0.00025 -0.00041 0.00023 107 4YY -0.00007 -0.00000 -0.00006 -0.00006 0.00007 108 4ZZ -0.00014 -0.00004 0.00005 0.00017 -0.00008 109 4XY 0.00005 0.00016 0.00013 0.00019 -0.00004 110 4XZ -0.00001 -0.00036 -0.00021 -0.00048 0.00021 111 4YZ 0.00003 0.00013 -0.00004 0.00001 0.00000 112 11 C 1S 0.00011 0.00039 -0.00003 0.00002 -0.00018 113 2S 0.00041 -0.00086 -0.00016 -0.00028 0.00014 114 2PX 0.00044 -0.00079 -0.00009 -0.00036 -0.00024 115 2PY -0.00028 0.00126 0.00047 0.00069 -0.00048 116 2PZ -0.00064 0.00217 0.00021 0.00071 0.00020 117 3S -0.00278 -0.00323 0.00088 0.00087 0.00134 118 3PX 0.00180 -0.00014 0.00069 0.00083 -0.00162 119 3PY 0.00128 0.00094 -0.00038 -0.00086 -0.00083 120 3PZ -0.00134 -0.00008 0.00109 0.00153 0.00013 121 4XX 0.00006 0.00008 -0.00005 -0.00006 -0.00006 122 4YY 0.00006 0.00002 -0.00002 -0.00001 0.00001 123 4ZZ 0.00006 0.00006 -0.00000 0.00001 -0.00004 124 4XY 0.00001 0.00003 0.00005 0.00011 -0.00011 125 4XZ 0.00000 -0.00015 -0.00002 -0.00006 -0.00000 126 4YZ -0.00011 0.00009 -0.00003 0.00001 0.00007 127 12 H 1S 0.00020 -0.00024 0.00007 0.00005 -0.00033 128 2S -0.00058 0.00078 -0.00007 0.00014 0.00021 129 13 H 1S 0.00023 -0.00135 0.00009 -0.00016 -0.00031 130 2S -0.00082 -0.00191 0.00162 0.00210 -0.00062 131 14 H 1S -0.00063 0.00126 0.00010 0.00047 0.00033 132 2S 0.00153 0.00331 -0.00123 -0.00075 0.00009 133 15 C 1S 0.00004 0.00034 0.00025 0.00047 -0.00022 134 2S 0.00002 -0.00068 -0.00077 -0.00132 0.00057 135 2PX 0.00018 0.00002 0.00052 0.00063 -0.00052 136 2PY -0.00035 0.00001 -0.00062 -0.00102 0.00076 137 2PZ 0.00041 -0.00422 -0.00223 -0.00541 0.00171 138 3S 0.00007 -0.00329 -0.00098 -0.00263 0.00115 139 3PX 0.00132 -0.00045 0.00021 0.00063 -0.00096 140 3PY -0.00084 -0.00115 0.00029 -0.00002 0.00117 141 3PZ 0.00030 -0.00328 -0.00213 -0.00511 0.00220 142 4XX 0.00005 0.00024 0.00010 0.00016 -0.00011 143 4YY 0.00000 -0.00019 -0.00014 -0.00025 0.00016 144 4ZZ 0.00003 0.00003 0.00001 0.00003 -0.00003 145 4XY 0.00000 -0.00001 -0.00000 0.00001 -0.00002 146 4XZ -0.00001 -0.00004 -0.00012 -0.00016 0.00009 147 4YZ 0.00002 -0.00004 0.00003 0.00000 -0.00002 148 16 C 1S -0.00000 -0.00022 -0.00022 -0.00037 0.00017 149 2S 0.00009 0.00039 0.00045 0.00080 -0.00046 150 2PX 0.00001 -0.00135 -0.00100 -0.00177 0.00089 151 2PY 0.00008 -0.00119 -0.00018 -0.00039 0.00008 152 2PZ 0.00006 0.00002 -0.00075 -0.00129 0.00060 153 3S -0.00062 0.00193 0.00119 0.00183 -0.00064 154 3PX 0.00041 -0.00127 -0.00061 -0.00098 0.00018 155 3PY 0.00040 -0.00015 -0.00022 -0.00020 -0.00015 156 3PZ -0.00008 0.00004 -0.00059 -0.00092 0.00044 157 4XX -0.00001 0.00001 0.00002 0.00004 -0.00002 158 4YY -0.00000 0.00007 -0.00003 -0.00001 0.00002 159 4ZZ 0.00002 -0.00008 -0.00006 -0.00012 0.00003 160 4XY 0.00003 -0.00007 0.00008 0.00011 -0.00008 161 4XZ -0.00002 0.00025 0.00013 0.00029 -0.00009 162 4YZ -0.00003 0.00019 0.00009 0.00021 -0.00007 163 17 O 1S 0.00002 -0.00026 -0.00001 0.00000 -0.00001 164 2S 0.00002 0.00048 -0.00000 -0.00001 0.00000 165 2PX 0.00015 -0.00041 0.00045 0.00047 -0.00040 166 2PY -0.00033 0.00249 0.00009 0.00059 0.00005 167 2PZ -0.00034 0.00302 0.00141 0.00338 -0.00118 168 3S -0.00029 0.00090 0.00004 -0.00005 0.00021 169 3PX 0.00008 -0.00018 0.00045 0.00056 -0.00036 170 3PY -0.00012 0.00146 0.00006 0.00040 -0.00005 171 3PZ -0.00024 0.00230 0.00122 0.00277 -0.00099 172 4XX 0.00001 0.00002 -0.00001 0.00001 -0.00001 173 4YY 0.00002 -0.00013 -0.00002 -0.00004 0.00001 174 4ZZ 0.00001 0.00004 0.00001 0.00003 -0.00001 175 4XY -0.00000 -0.00002 0.00000 0.00001 -0.00000 176 4XZ 0.00000 -0.00005 -0.00001 -0.00003 0.00001 177 4YZ 0.00001 -0.00010 -0.00003 -0.00009 0.00002 178 18 H 1S -0.00013 0.00049 -0.00029 -0.00034 0.00032 179 2S -0.00018 0.00046 -0.00082 -0.00109 0.00081 180 19 H 1S 0.00005 -0.00099 -0.00047 -0.00082 0.00037 181 2S -0.00047 -0.00156 -0.00032 -0.00066 0.00119 182 20 H 1S 0.00002 -0.00116 -0.00039 0.00059 -0.00034 183 2S 0.00342 0.00028 0.00068 0.00618 -0.00395 184 21 H 1S -0.00162 0.00125 -0.00064 -0.00102 0.00260 185 2S -0.00303 0.00134 0.00029 0.00100 0.00011 186 22 H 1S 0.00182 -0.00678 0.00499 0.01012 -0.00684 187 2S 0.00565 -0.00560 0.00572 0.01433 -0.01055 188 23 H 1S -0.00424 0.01153 0.00145 0.00385 0.00113 189 2S 0.01263 0.02023 -0.00593 -0.00641 -0.00833 190 24 H 1S 0.00341 0.00209 -0.00638 -0.01281 -0.00628 191 2S 0.00233 -0.00259 -0.01587 -0.02228 -0.01723 192 25 H 1S -0.01278 -0.02781 0.00428 -0.00180 0.00451 193 2S -0.02726 -0.04078 0.00517 -0.00288 0.00602 194 26 H 1S 0.00410 0.00515 0.00032 -0.00422 -0.00418 195 2S -0.00227 -0.00363 -0.00427 -0.01440 0.01186 196 27 H 1S 0.00397 0.00623 -0.00404 0.01213 0.00021 197 2S -0.00268 -0.00235 0.01224 0.02972 -0.00421 51 52 53 54 55 51 2S 0.14792 52 7 C 1S -0.00750 2.05340 53 2S 0.01748 -0.06319 0.32500 54 2PX -0.03690 0.00561 -0.00325 0.40631 55 2PY 0.02402 0.00035 0.00362 -0.01023 0.40728 56 2PZ -0.07775 -0.00088 -0.00097 -0.00980 0.00180 57 3S 0.01525 -0.16547 0.25883 -0.02296 -0.00451 58 3PX -0.02648 -0.00551 0.01296 0.13409 -0.01700 59 3PY -0.00172 0.00640 -0.02299 -0.00853 0.12901 60 3PZ -0.06383 0.00041 -0.00393 0.02071 0.00274 61 4XX 0.00121 -0.01651 -0.00357 0.00227 0.01319 62 4YY -0.00234 -0.01972 0.00147 0.00017 -0.02321 63 4ZZ -0.00096 -0.01119 -0.01574 0.00143 0.00144 64 4XY 0.00074 0.00016 -0.00066 0.01334 -0.00264 65 4XZ 0.00222 0.00109 -0.00240 -0.00184 -0.00268 66 4YZ -0.00082 -0.00004 0.00013 -0.00120 0.00087 67 8 C 1S -0.00243 0.01298 -0.02512 -0.05768 -0.02947 68 2S 0.00338 -0.02304 0.04225 0.11839 0.05905 69 2PX -0.00575 0.06516 -0.13647 -0.25113 -0.12486 70 2PY 0.01212 0.02700 -0.05645 -0.10940 -0.03897 71 2PZ 0.00579 -0.01412 0.03146 0.06096 0.02272 72 3S 0.01866 -0.00763 0.02682 0.11879 0.09432 73 3PX -0.00843 0.01752 -0.04932 -0.11429 -0.07568 74 3PY 0.00943 0.00631 -0.01181 -0.05153 -0.01058 75 3PZ 0.00576 -0.00692 0.01449 0.02373 0.01306 76 4XX 0.00165 -0.00549 0.01007 0.00256 0.00838 77 4YY -0.00022 0.00111 -0.00307 -0.00249 -0.00940 78 4ZZ -0.00129 0.00255 -0.00577 -0.00684 -0.00204 79 4XY 0.00021 -0.00402 0.00731 0.00824 -0.00419 80 4XZ 0.00329 0.00151 -0.00283 -0.00434 -0.00255 81 4YZ 0.00013 0.00079 -0.00126 -0.00159 0.00077 82 9 C 1S -0.00370 -0.00339 0.00637 0.01114 -0.00064 83 2S 0.00747 0.00590 -0.01320 -0.02547 -0.00053 84 2PX -0.01037 -0.01067 0.02600 0.03716 0.00773 85 2PY -0.00177 -0.00266 0.00466 0.00021 -0.01521 86 2PZ -0.00655 -0.00351 0.00712 0.01882 0.00212 87 3S 0.02623 0.01000 -0.01955 -0.04843 0.01882 88 3PX -0.00016 -0.01229 0.01706 0.00845 0.01201 89 3PY 0.00166 -0.00166 0.00049 -0.00001 -0.01957 90 3PZ -0.00560 -0.00143 0.00159 0.01561 -0.00551 91 4XX -0.00116 -0.00240 0.00460 0.00966 0.00283 92 4YY 0.00067 0.00043 -0.00124 -0.00308 -0.00098 93 4ZZ -0.00013 0.00069 -0.00179 -0.00421 -0.00139 94 4XY -0.00065 -0.00074 0.00151 0.00234 -0.00005 95 4XZ 0.00004 -0.00005 0.00043 0.00278 0.00102 96 4YZ -0.00041 -0.00034 0.00077 0.00198 0.00064 97 10 C 1S 0.00161 0.00219 -0.00612 -0.00953 -0.00284 98 2S -0.00234 -0.00600 0.01310 0.02241 0.00677 99 2PX 0.00637 0.01035 -0.02296 -0.03759 -0.01036 100 2PY 0.00203 0.00288 -0.00640 -0.00903 0.00001 101 2PZ -0.00427 -0.00091 0.00347 0.00830 0.00066 102 3S -0.01551 -0.00413 0.01759 0.04950 0.00494 103 3PX 0.00712 0.00284 -0.01295 -0.02684 -0.00479 104 3PY 0.00419 -0.00308 0.00224 -0.01162 0.00553 105 3PZ -0.00356 0.00052 0.00105 0.00991 -0.00009 106 4XX 0.00028 0.00042 -0.00072 -0.00155 -0.00098 107 4YY 0.00015 -0.00008 -0.00018 0.00041 0.00042 108 4ZZ -0.00009 -0.00005 -0.00035 -0.00022 -0.00014 109 4XY -0.00006 -0.00010 0.00045 0.00087 0.00072 110 4XZ 0.00032 0.00043 -0.00099 -0.00255 -0.00076 111 4YZ 0.00004 -0.00002 -0.00003 -0.00005 0.00000 112 11 C 1S -0.00020 0.00005 -0.00034 -0.00109 -0.00177 113 2S 0.00024 -0.00048 0.00067 0.00202 0.00402 114 2PX 0.00009 0.00099 -0.00160 -0.00509 -0.00529 115 2PY -0.00134 -0.00145 0.00300 0.00263 -0.00117 116 2PZ 0.00044 0.00204 -0.00314 -0.00780 -0.00366 117 3S 0.00127 0.00266 -0.00316 0.00688 0.00665 118 3PX -0.00220 -0.00016 0.00092 0.00150 0.00059 119 3PY -0.00105 -0.00323 0.00578 0.00586 0.00370 120 3PZ 0.00018 0.00135 -0.00252 -0.00928 -0.00321 121 4XX -0.00005 -0.00001 -0.00005 -0.00047 -0.00067 122 4YY 0.00002 0.00002 0.00005 0.00023 0.00023 123 4ZZ -0.00008 -0.00014 0.00013 0.00026 0.00036 124 4XY -0.00016 -0.00031 0.00055 0.00094 0.00007 125 4XZ -0.00001 0.00003 -0.00007 -0.00009 -0.00017 126 4YZ 0.00016 0.00010 -0.00021 -0.00055 -0.00021 127 12 H 1S -0.00033 -0.00019 0.00052 -0.00078 -0.00272 128 2S 0.00026 -0.00047 0.00090 -0.00105 -0.00607 129 13 H 1S -0.00085 -0.00129 0.00180 0.00484 0.00283 130 2S -0.00165 0.00023 -0.00074 -0.00402 -0.00291 131 14 H 1S 0.00036 0.00053 -0.00088 -0.00256 0.00070 132 2S 0.00031 0.00102 -0.00206 -0.00340 -0.00186 133 15 C 1S -0.00035 -0.00044 0.00094 0.00187 0.00124 134 2S 0.00094 0.00095 -0.00219 -0.00375 -0.00235 135 2PX -0.00124 -0.00072 0.00201 0.00192 0.00242 136 2PY 0.00121 0.00150 -0.00300 -0.00671 -0.00242 137 2PZ 0.00185 0.00351 -0.00656 -0.01832 -0.00636 138 3S 0.00193 -0.00048 -0.00003 -0.01215 -0.00385 139 3PX -0.00219 0.00147 -0.00135 -0.00228 -0.00354 140 3PY 0.00137 0.00152 -0.00143 -0.00611 -0.00071 141 3PZ 0.00286 0.00251 -0.00465 -0.01680 -0.00403 142 4XX -0.00018 -0.00049 0.00099 0.00138 0.00062 143 4YY 0.00029 0.00032 -0.00061 -0.00103 -0.00026 144 4ZZ -0.00006 -0.00003 0.00003 0.00007 0.00009 145 4XY -0.00004 0.00001 -0.00009 -0.00013 -0.00006 146 4XZ 0.00017 0.00010 -0.00027 -0.00056 -0.00013 147 4YZ -0.00005 0.00006 -0.00008 -0.00022 -0.00007 148 16 C 1S 0.00034 0.00035 -0.00094 -0.00166 -0.00062 149 2S -0.00085 -0.00097 0.00209 0.00345 0.00134 150 2PX 0.00173 0.00179 -0.00372 -0.00694 -0.00298 151 2PY 0.00014 0.00005 -0.00042 -0.00108 -0.00031 152 2PZ 0.00083 0.00022 -0.00081 -0.00366 -0.00033 153 3S -0.00105 -0.00206 0.00461 0.01208 0.00559 154 3PX 0.00039 0.00099 -0.00214 -0.00655 -0.00293 155 3PY -0.00028 0.00109 -0.00190 -0.00209 -0.00222 156 3PZ 0.00071 0.00001 -0.00039 -0.00159 0.00006 157 4XX -0.00001 0.00001 0.00001 0.00010 0.00003 158 4YY 0.00005 0.00004 -0.00016 -0.00010 -0.00004 159 4ZZ 0.00003 0.00001 -0.00009 -0.00041 -0.00013 160 4XY -0.00014 -0.00010 0.00029 0.00058 0.00023 161 4XZ -0.00011 -0.00019 0.00031 0.00093 0.00030 162 4YZ -0.00009 -0.00010 0.00014 0.00056 0.00015 163 17 O 1S -0.00001 0.00003 -0.00007 -0.00010 -0.00017 164 2S -0.00002 0.00010 -0.00010 0.00006 0.00009 165 2PX -0.00059 -0.00024 0.00173 0.00183 0.00072 166 2PY 0.00005 -0.00015 -0.00035 0.00072 0.00048 167 2PZ -0.00139 -0.00179 0.00244 0.00978 0.00305 168 3S 0.00035 -0.00088 0.00137 0.00105 0.00204 169 3PX -0.00059 -0.00016 0.00134 0.00227 0.00058 170 3PY -0.00007 0.00010 -0.00059 0.00024 0.00012 171 3PZ -0.00122 -0.00140 0.00206 0.00790 0.00247 172 4XX -0.00002 0.00004 -0.00009 -0.00006 -0.00009 173 4YY 0.00000 0.00009 -0.00009 -0.00015 -0.00019 174 4ZZ -0.00003 0.00004 -0.00007 0.00000 -0.00008 175 4XY -0.00001 -0.00004 0.00004 0.00005 0.00003 176 4XZ 0.00001 0.00002 -0.00002 -0.00007 -0.00003 177 4YZ 0.00002 0.00007 -0.00009 -0.00028 -0.00012 178 18 H 1S 0.00062 0.00061 -0.00135 -0.00206 -0.00094 179 2S 0.00143 0.00157 -0.00357 -0.00566 -0.00266 180 19 H 1S 0.00074 0.00067 -0.00175 -0.00276 -0.00127 181 2S 0.00183 0.00253 -0.00434 -0.00750 -0.00041 182 20 H 1S 0.00015 0.00275 -0.00781 -0.01474 -0.00592 183 2S -0.00752 0.00178 -0.00525 -0.01424 -0.00293 184 21 H 1S 0.00508 0.00503 -0.01038 -0.01699 0.00291 185 2S 0.00087 0.00356 -0.00900 -0.01499 -0.01886 186 22 H 1S -0.01240 0.00845 -0.02176 -0.02806 -0.00092 187 2S -0.01822 0.01146 -0.02480 -0.04891 -0.00078 188 23 H 1S 0.00376 0.00849 -0.02068 -0.01917 -0.02652 189 2S -0.00722 0.01157 -0.02845 -0.03240 -0.07016 190 24 H 1S -0.01281 -0.05840 0.11123 -0.00533 -0.26478 191 2S -0.02410 -0.01032 0.02315 -0.01045 -0.24596 192 25 H 1S -0.00164 0.00814 -0.01833 0.02300 0.00598 193 2S -0.00203 0.00534 -0.01287 0.02308 -0.01680 194 26 H 1S 0.01201 -0.00510 0.01164 -0.02270 0.00254 195 2S 0.02917 -0.00828 0.01783 -0.04817 0.00075 196 27 H 1S -0.00411 -0.00500 0.01084 -0.00492 0.00246 197 2S -0.01399 -0.00807 0.01642 -0.01537 0.00068 56 57 58 59 60 56 2PZ 0.34911 57 3S 0.02075 0.22699 58 3PX 0.02737 0.00886 0.05917 59 3PY 0.01001 -0.01773 -0.00200 0.04782 60 3PZ 0.24745 0.01032 0.02687 0.00668 0.18026 61 4XX -0.00373 -0.00356 -0.00174 0.00345 -0.00234 62 4YY -0.00018 0.00261 0.00234 -0.00668 -0.00047 63 4ZZ 0.00364 -0.01129 0.00008 0.00162 0.00306 64 4XY -0.00131 -0.00138 0.00311 -0.00185 0.00020 65 4XZ -0.01072 -0.00246 -0.00136 -0.00089 -0.00845 66 4YZ 0.00634 0.00063 0.00033 0.00060 0.00421 67 8 C 1S 0.00910 0.00636 -0.00579 -0.00181 0.00023 68 2S -0.01912 -0.00055 0.02859 0.00975 -0.00398 69 2PX 0.05564 -0.10113 -0.07645 -0.01888 0.01672 70 2PY 0.02029 -0.04634 -0.04059 -0.01463 0.00952 71 2PZ 0.02887 0.02228 0.01786 0.00097 -0.00077 72 3S -0.01631 -0.01887 0.01245 0.01224 0.00086 73 3PX 0.04816 -0.03198 -0.02603 -0.01207 0.02321 74 3PY 0.01739 -0.00676 -0.01483 -0.00354 0.00927 75 3PZ 0.01237 0.00998 0.00560 0.00055 -0.00104 76 4XX -0.00425 0.00922 0.00104 0.00219 -0.00337 77 4YY 0.00061 -0.00328 -0.00073 -0.00319 0.00065 78 4ZZ 0.00394 -0.00421 -0.00220 0.00014 0.00278 79 4XY -0.00228 0.00631 0.00282 -0.00220 -0.00121 80 4XZ -0.01073 -0.00265 -0.00260 -0.00090 -0.00905 81 4YZ -0.00286 -0.00058 -0.00080 0.00051 -0.00155 82 9 C 1S 0.00762 0.01181 0.00426 -0.00046 0.00970 83 2S -0.01064 -0.01709 -0.01244 0.00207 -0.01631 84 2PX 0.00367 0.04486 0.02228 0.00487 0.01633 85 2PY -0.00663 0.02889 -0.00863 -0.00656 -0.01132 86 2PZ -0.00523 0.00553 -0.00049 -0.00769 0.01245 87 3S -0.09758 -0.02128 -0.02658 0.00779 -0.08111 88 3PX -0.01075 0.02191 0.00542 0.00359 -0.00161 89 3PY -0.01973 0.01010 -0.00522 -0.00755 -0.01759 90 3PZ 0.00894 -0.00039 0.00197 -0.00633 0.01525 91 4XX 0.00252 0.00424 0.00342 0.00025 0.00227 92 4YY -0.00030 -0.00237 -0.00055 -0.00016 -0.00002 93 4ZZ -0.00026 -0.00127 -0.00182 -0.00025 -0.00020 94 4XY 0.00042 0.00201 0.00142 0.00030 0.00067 95 4XZ 0.00038 -0.00159 0.00064 -0.00004 0.00005 96 4YZ -0.00064 0.00101 0.00023 -0.00008 -0.00008 97 10 C 1S -0.00111 -0.00202 -0.00243 0.00256 -0.00224 98 2S -0.00054 0.01399 0.00921 -0.00028 0.00233 99 2PX 0.00008 -0.04959 -0.02134 -0.01252 -0.00273 100 2PY -0.00067 -0.00808 0.00099 0.00667 -0.00109 101 2PZ 0.00966 -0.01936 -0.00513 -0.01162 0.01085 102 3S 0.04040 0.02166 0.02158 0.00037 0.03327 103 3PX -0.01807 -0.02159 -0.01245 -0.00412 -0.01530 104 3PY -0.01998 0.00116 -0.00394 0.00310 -0.01441 105 3PZ 0.00952 -0.01338 -0.00094 -0.00699 0.00865 106 4XX -0.00022 -0.00037 -0.00078 -0.00028 -0.00071 107 4YY 0.00008 -0.00098 0.00029 0.00015 0.00017 108 4ZZ 0.00005 -0.00008 -0.00009 0.00011 0.00017 109 4XY -0.00004 0.00055 0.00066 0.00064 0.00021 110 4XZ 0.00033 -0.00175 -0.00086 -0.00031 -0.00031 111 4YZ -0.00017 0.00021 -0.00013 0.00015 -0.00015 112 11 C 1S 0.00014 0.00085 -0.00011 -0.00100 -0.00006 113 2S -0.00101 0.00009 0.00247 0.00231 -0.00049 114 2PX 0.00012 -0.00573 -0.00745 -0.00441 0.00029 115 2PY -0.00116 0.00891 -0.00197 -0.00339 -0.00181 116 2PZ 0.00216 -0.02205 -0.01094 -0.00660 0.00384 117 3S 0.00558 -0.00776 0.00368 0.00322 0.00357 118 3PX 0.00263 -0.00167 -0.00255 -0.00123 0.00271 119 3PY -0.00559 0.00888 0.00023 -0.00066 -0.00444 120 3PZ 0.00406 -0.01135 -0.00667 -0.00340 0.00356 121 4XX -0.00012 0.00005 -0.00047 -0.00033 -0.00012 122 4YY 0.00007 -0.00030 0.00012 0.00006 0.00013 123 4ZZ -0.00008 0.00051 0.00026 0.00015 -0.00008 124 4XY -0.00004 0.00119 0.00044 0.00025 0.00006 125 4XZ 0.00007 0.00062 0.00032 0.00017 -0.00011 126 4YZ -0.00026 -0.00003 -0.00018 0.00017 -0.00021 127 12 H 1S -0.00039 0.00014 -0.00311 -0.00212 -0.00001 128 2S -0.00073 0.00417 -0.00146 -0.00214 -0.00033 129 13 H 1S -0.00006 0.01231 0.00702 0.00323 -0.00150 130 2S 0.00692 0.00594 0.00231 -0.00034 0.00392 131 14 H 1S -0.00050 -0.00658 -0.00316 -0.00163 0.00035 132 2S -0.00262 -0.00555 -0.00371 -0.00196 -0.00105 133 15 C 1S 0.00041 0.00323 0.00269 0.00254 0.00060 134 2S -0.00155 -0.00563 -0.00445 -0.00486 -0.00198 135 2PX 0.00026 0.00596 0.00499 0.00639 0.00040 136 2PY -0.00151 -0.00974 -0.00386 -0.00457 -0.00161 137 2PZ 0.00387 -0.03124 -0.01296 -0.01371 0.00001 138 3S -0.00908 -0.00420 -0.00989 -0.00568 -0.00864 139 3PX 0.00998 -0.00285 -0.00013 -0.00021 0.00575 140 3PY -0.00091 -0.00441 -0.00276 -0.00100 -0.00093 141 3PZ -0.00079 -0.02213 -0.01040 -0.00924 -0.00324 142 4XX -0.00033 0.00180 0.00085 0.00047 -0.00007 143 4YY -0.00031 -0.00100 -0.00052 -0.00011 -0.00034 144 4ZZ 0.00007 0.00000 0.00002 0.00009 0.00008 145 4XY 0.00015 0.00017 0.00010 0.00022 0.00008 146 4XZ -0.00032 0.00034 0.00008 0.00031 -0.00042 147 4YZ 0.00028 -0.00080 -0.00030 -0.00038 0.00023 148 16 C 1S -0.00026 -0.00154 -0.00073 -0.00102 -0.00032 149 2S 0.00055 0.00463 0.00250 0.00233 0.00074 150 2PX -0.00005 -0.01025 -0.00636 -0.00495 -0.00154 151 2PY -0.00076 0.00045 -0.00017 -0.00030 -0.00112 152 2PZ -0.00168 0.00120 0.00280 0.00061 -0.00245 153 3S -0.00114 0.00799 0.00630 0.00344 0.00116 154 3PX 0.00072 -0.00527 -0.00441 -0.00247 -0.00098 155 3PY 0.00242 -0.00290 -0.00112 -0.00147 0.00107 156 3PZ -0.00186 0.00162 0.00208 0.00081 -0.00203 157 4XX -0.00018 0.00003 -0.00011 -0.00004 -0.00018 158 4YY 0.00012 -0.00007 0.00011 0.00001 0.00016 159 4ZZ 0.00002 -0.00058 -0.00032 -0.00026 -0.00004 160 4XY 0.00007 0.00050 0.00016 0.00013 -0.00001 161 4XZ -0.00009 0.00156 0.00076 0.00063 0.00010 162 4YZ -0.00001 0.00102 0.00062 0.00041 0.00009 163 17 O 1S 0.00006 0.00024 -0.00028 0.00025 -0.00002 164 2S 0.00034 -0.00110 0.00023 -0.00085 0.00019 165 2PX -0.00087 -0.00136 -0.00257 -0.00157 -0.00211 166 2PY 0.00025 0.00346 0.00456 0.00225 0.00191 167 2PZ -0.00034 0.01945 0.01231 0.00769 0.00093 168 3S -0.00234 0.00200 0.00203 0.00096 -0.00101 169 3PX -0.00020 -0.00045 -0.00137 -0.00100 -0.00109 170 3PY 0.00080 0.00129 0.00249 0.00102 0.00156 171 3PZ 0.00006 0.01423 0.00876 0.00566 0.00117 172 4XX 0.00014 0.00003 0.00008 0.00004 0.00014 173 4YY 0.00012 -0.00046 -0.00041 -0.00027 -0.00004 174 4ZZ 0.00016 -0.00002 0.00005 -0.00004 0.00009 175 4XY 0.00002 0.00020 0.00013 0.00012 0.00006 176 4XZ 0.00003 -0.00034 -0.00026 -0.00014 0.00001 177 4YZ 0.00008 -0.00079 -0.00052 -0.00031 0.00006 178 18 H 1S 0.00035 -0.00291 -0.00121 -0.00081 0.00041 179 2S -0.00015 -0.00570 -0.00234 -0.00182 -0.00012 180 19 H 1S -0.00036 -0.00166 -0.00210 -0.00066 -0.00073 181 2S 0.00002 -0.00500 -0.00274 0.00104 -0.00041 182 20 H 1S -0.01063 -0.00481 -0.01376 -0.00522 -0.00619 183 2S 0.01874 0.00256 -0.00781 -0.00145 0.01714 184 21 H 1S -0.00276 -0.02703 -0.00173 0.00257 -0.00016 185 2S 0.00777 -0.02236 0.00091 -0.00455 0.00825 186 22 H 1S 0.01321 -0.02376 -0.00786 0.00582 0.02085 187 2S 0.04330 -0.01397 -0.01003 0.00830 0.03909 188 23 H 1S 0.00508 -0.03162 -0.01202 -0.01345 0.00647 189 2S 0.00383 -0.03149 -0.01086 -0.02365 0.00342 190 24 H 1S 0.00090 0.09566 0.01654 -0.08941 -0.00282 191 2S 0.00362 0.02183 0.01596 -0.07239 -0.00096 192 25 H 1S -0.00449 -0.02108 -0.00740 0.01368 0.00106 193 2S -0.00497 -0.01521 0.00219 0.00626 -0.00102 194 26 H 1S -0.04384 0.01428 -0.00112 0.00333 -0.04014 195 2S -0.07945 0.01766 -0.01245 0.00028 -0.06762 196 27 H 1S 0.04929 0.01896 0.01574 0.00562 0.03791 197 2S 0.09214 0.02663 0.01632 0.00488 0.06803 61 62 63 64 65 61 4XX 0.00140 62 4YY -0.00109 0.00205 63 4ZZ 0.00027 -0.00009 0.00098 64 4XY 0.00010 0.00011 0.00005 0.00084 65 4XZ -0.00001 0.00025 -0.00013 -0.00001 0.00079 66 4YZ -0.00005 -0.00006 0.00005 -0.00014 -0.00017 67 8 C 1S -0.00510 0.00164 0.00112 -0.00376 0.00143 68 2S 0.00883 -0.00376 -0.00250 0.00708 -0.00237 69 2PX -0.00033 0.00408 0.00468 -0.00939 0.00228 70 2PY -0.00786 0.01065 0.00108 0.00486 0.00239 71 2PZ 0.00292 -0.00046 -0.00451 0.00250 0.00990 72 3S 0.01183 -0.00806 -0.00151 0.00825 -0.00293 73 3PX -0.00175 0.00381 0.00173 -0.00461 0.00025 74 3PY -0.00412 0.00489 0.00004 0.00196 0.00082 75 3PZ 0.00146 -0.00045 -0.00206 0.00097 0.00436 76 4XX 0.00018 -0.00048 -0.00047 -0.00018 0.00013 77 4YY -0.00067 0.00106 0.00005 0.00045 0.00010 78 4ZZ 0.00014 -0.00029 0.00041 -0.00052 -0.00030 79 4XY -0.00023 0.00032 -0.00033 0.00031 0.00004 80 4XZ 0.00012 0.00018 -0.00016 -0.00006 0.00088 81 4YZ 0.00013 -0.00023 0.00014 -0.00018 -0.00027 82 9 C 1S -0.00138 0.00034 -0.00001 0.00049 -0.00149 83 2S 0.00227 -0.00099 -0.00020 -0.00125 0.00304 84 2PX -0.00575 0.00253 0.00051 0.00165 -0.00609 85 2PY 0.00065 -0.00010 -0.00056 0.00033 0.00069 86 2PZ -0.00550 0.00095 0.00260 0.00106 -0.00432 87 3S 0.00294 -0.00159 -0.00101 -0.00191 0.00647 88 3PX -0.00213 0.00088 -0.00014 0.00066 -0.00267 89 3PY 0.00019 0.00071 -0.00051 0.00032 0.00125 90 3PZ -0.00239 0.00062 0.00142 0.00105 -0.00273 91 4XX 0.00004 -0.00009 -0.00018 0.00033 -0.00017 92 4YY -0.00025 0.00026 0.00005 0.00001 0.00007 93 4ZZ 0.00014 -0.00012 0.00015 -0.00021 -0.00015 94 4XY -0.00007 -0.00004 -0.00001 -0.00005 -0.00019 95 4XZ 0.00039 -0.00015 -0.00013 0.00011 0.00013 96 4YZ 0.00000 -0.00021 0.00008 -0.00009 -0.00013 97 10 C 1S 0.00047 -0.00014 -0.00009 -0.00017 0.00045 98 2S -0.00093 0.00016 -0.00031 0.00061 -0.00094 99 2PX 0.00193 -0.00086 0.00058 -0.00123 0.00268 100 2PY 0.00074 -0.00027 0.00016 -0.00041 0.00068 101 2PZ -0.00039 -0.00025 0.00007 0.00031 -0.00091 102 3S -0.00079 -0.00044 0.00007 0.00103 -0.00258 103 3PX 0.00083 0.00010 0.00001 -0.00057 0.00182 104 3PY 0.00006 -0.00018 -0.00021 -0.00066 0.00039 105 3PZ 0.00015 -0.00034 0.00001 0.00021 -0.00036 106 4XX 0.00007 0.00003 -0.00003 -0.00004 0.00013 107 4YY 0.00003 -0.00001 0.00000 0.00001 0.00005 108 4ZZ -0.00002 0.00001 0.00005 0.00000 -0.00006 109 4XY -0.00007 0.00003 0.00000 0.00003 -0.00009 110 4XZ 0.00016 -0.00001 -0.00006 -0.00009 0.00017 111 4YZ 0.00002 -0.00001 0.00001 -0.00001 0.00002 112 11 C 1S -0.00009 0.00014 -0.00004 0.00011 -0.00007 113 2S 0.00025 -0.00039 -0.00003 -0.00016 0.00008 114 2PX -0.00043 0.00071 0.00005 0.00036 -0.00010 115 2PY -0.00020 -0.00002 -0.00013 0.00006 -0.00037 116 2PZ -0.00016 0.00045 0.00018 -0.00004 0.00029 117 3S 0.00074 -0.00065 0.00004 0.00005 0.00054 118 3PX -0.00016 -0.00004 0.00016 -0.00006 -0.00048 119 3PY -0.00006 -0.00022 -0.00024 -0.00007 -0.00027 120 3PZ -0.00012 0.00036 0.00011 -0.00010 0.00005 121 4XX -0.00006 0.00009 -0.00001 0.00003 -0.00001 122 4YY 0.00002 -0.00002 0.00001 -0.00001 0.00000 123 4ZZ 0.00002 -0.00005 0.00000 -0.00002 -0.00002 124 4XY -0.00007 0.00005 -0.00001 0.00005 -0.00007 125 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00000 126 4YZ -0.00001 0.00004 0.00001 -0.00001 0.00003 127 12 H 1S -0.00036 0.00046 -0.00004 0.00028 -0.00017 128 2S -0.00058 0.00081 -0.00015 0.00050 -0.00008 129 13 H 1S 0.00020 -0.00047 -0.00012 -0.00012 -0.00019 130 2S -0.00003 -0.00012 0.00006 -0.00015 -0.00050 131 14 H 1S 0.00012 -0.00016 0.00008 -0.00025 0.00018 132 2S -0.00001 -0.00003 0.00019 -0.00020 0.00017 133 15 C 1S -0.00011 0.00009 -0.00003 0.00009 -0.00023 134 2S 0.00030 -0.00020 -0.00001 -0.00014 0.00056 135 2PX -0.00016 0.00028 -0.00012 0.00013 -0.00059 136 2PY 0.00012 0.00004 0.00010 -0.00017 0.00047 137 2PZ 0.00126 -0.00057 -0.00048 -0.00077 0.00140 138 3S 0.00027 -0.00024 0.00002 -0.00074 0.00052 139 3PX 0.00029 -0.00001 0.00003 -0.00017 -0.00006 140 3PY 0.00003 -0.00004 0.00007 -0.00023 0.00017 141 3PZ 0.00096 -0.00033 -0.00052 -0.00061 0.00129 142 4XX -0.00009 0.00004 -0.00003 0.00005 -0.00010 143 4YY 0.00006 -0.00003 0.00001 -0.00004 0.00010 144 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00002 145 4XY 0.00000 0.00001 -0.00000 0.00000 -0.00001 146 4XZ 0.00004 -0.00001 -0.00001 -0.00003 0.00005 147 4YZ 0.00001 -0.00001 0.00000 -0.00001 0.00000 148 16 C 1S 0.00009 -0.00007 -0.00002 -0.00006 0.00016 149 2S -0.00020 0.00014 -0.00003 0.00015 -0.00035 150 2PX 0.00041 -0.00024 0.00009 -0.00032 0.00069 151 2PY 0.00001 -0.00007 -0.00003 -0.00007 -0.00000 152 2PZ 0.00028 -0.00010 -0.00023 -0.00012 0.00028 153 3S -0.00059 0.00032 -0.00010 0.00064 -0.00069 154 3PX 0.00024 -0.00007 0.00011 -0.00034 0.00029 155 3PY 0.00013 -0.00002 0.00005 -0.00007 0.00017 156 3PZ 0.00018 -0.00008 -0.00014 -0.00007 0.00019 157 4XX -0.00002 0.00002 0.00002 0.00001 -0.00002 158 4YY 0.00002 -0.00003 -0.00001 -0.00001 0.00003 159 4ZZ 0.00002 -0.00001 -0.00001 -0.00002 0.00003 160 4XY -0.00003 0.00001 0.00001 0.00001 -0.00006 161 4XZ -0.00006 0.00002 0.00002 0.00004 -0.00007 162 4YZ -0.00004 0.00001 0.00001 0.00003 -0.00004 163 17 O 1S -0.00001 0.00003 -0.00000 0.00002 -0.00001 164 2S 0.00004 -0.00007 0.00002 -0.00005 0.00002 165 2PX -0.00031 0.00037 0.00028 0.00006 -0.00037 166 2PY 0.00008 -0.00011 -0.00011 0.00008 0.00011 167 2PZ -0.00051 0.00012 0.00016 0.00047 -0.00074 168 3S 0.00002 -0.00015 -0.00006 -0.00006 -0.00004 169 3PX -0.00028 0.00030 0.00020 0.00011 -0.00032 170 3PY 0.00007 -0.00010 -0.00004 0.00002 0.00009 171 3PZ -0.00044 0.00011 0.00016 0.00038 -0.00061 172 4XX 0.00000 -0.00000 -0.00001 0.00000 0.00001 173 4YY -0.00000 0.00001 0.00001 -0.00000 0.00001 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 176 4XZ 0.00000 -0.00000 0.00000 -0.00001 0.00001 177 4YZ 0.00001 -0.00000 -0.00000 -0.00001 0.00002 178 18 H 1S 0.00015 -0.00007 0.00002 -0.00007 0.00027 179 2S 0.00035 -0.00019 -0.00000 -0.00019 0.00063 180 19 H 1S 0.00023 -0.00016 -0.00002 -0.00013 0.00032 181 2S 0.00033 -0.00024 0.00008 -0.00028 0.00040 182 20 H 1S -0.00075 -0.00064 0.00139 -0.00072 -0.00026 183 2S -0.00130 -0.00083 0.00187 -0.00122 -0.00254 184 21 H 1S -0.00065 0.00075 0.00046 -0.00036 0.00069 185 2S -0.00217 0.00279 0.00037 0.00043 0.00021 186 22 H 1S 0.00321 -0.00342 0.00298 -0.00261 -0.00745 187 2S 0.00058 -0.00285 0.00352 -0.00413 -0.00711 188 23 H 1S -0.00291 0.00697 -0.00009 0.00612 0.00013 189 2S -0.00545 0.00907 0.00021 0.00385 0.00116 190 24 H 1S -0.01109 0.01764 -0.00637 0.00100 0.00119 191 2S -0.01114 0.01759 -0.00250 0.00042 0.00190 192 25 H 1S 0.00024 0.00066 0.00014 0.00062 -0.00002 193 2S -0.00192 0.00319 -0.00013 0.00015 0.00046 194 26 H 1S -0.00191 0.00079 -0.00039 -0.00090 0.00110 195 2S -0.00195 0.00117 -0.00128 -0.00166 0.00287 196 27 H 1S -0.00220 0.00074 0.00012 -0.00066 -0.00027 197 2S -0.00331 0.00108 0.00045 -0.00117 -0.00198 66 67 68 69 70 66 4YZ 0.00015 67 8 C 1S 0.00069 2.05105 68 2S -0.00116 -0.05325 0.30467 69 2PX 0.00218 0.00018 -0.00143 0.38685 70 2PY -0.00146 -0.00222 0.00071 -0.00324 0.40861 71 2PZ 0.00155 0.00357 -0.00219 -0.01294 0.00682 72 3S -0.00125 -0.19200 0.28818 -0.02202 -0.00139 73 3PX 0.00141 -0.00068 0.00301 0.18398 0.00220 74 3PY -0.00047 -0.00051 0.00377 -0.00448 0.18448 75 3PZ 0.00077 -0.00024 -0.00191 -0.00435 0.00172 76 4XX 0.00001 -0.01535 -0.00566 -0.00938 -0.01004 77 4YY -0.00015 -0.01776 -0.00043 -0.00152 0.02392 78 4ZZ 0.00014 -0.01662 -0.00304 0.01234 -0.01097 79 4XY -0.00005 0.00047 -0.00098 -0.00995 -0.00132 80 4XZ -0.00014 0.00114 -0.00238 0.00543 0.00292 81 4YZ -0.00002 -0.00058 0.00134 0.00292 -0.00630 82 9 C 1S -0.00013 0.00992 -0.01833 -0.03886 0.01478 83 2S 0.00019 -0.01805 0.02834 0.07944 -0.03119 84 2PX -0.00074 0.03755 -0.07718 -0.11891 0.05237 85 2PY 0.00132 -0.01539 0.03141 0.05335 -0.01187 86 2PZ -0.00090 0.04607 -0.09479 -0.14762 0.05475 87 3S -0.00120 0.00508 0.00602 0.07054 -0.02245 88 3PX -0.00055 0.00610 -0.02010 -0.04955 0.02835 89 3PY 0.00028 -0.00453 0.01189 0.02571 -0.00184 90 3PZ -0.00035 0.00975 -0.03007 -0.06507 0.02924 91 4XX 0.00006 -0.00162 0.00245 -0.00844 -0.00187 92 4YY -0.00012 0.00157 -0.00390 -0.00313 0.00781 93 4ZZ 0.00005 -0.00253 0.00369 0.00741 -0.00397 94 4XY 0.00001 0.00151 -0.00280 -0.00250 -0.00498 95 4XZ 0.00001 -0.00479 0.00891 0.00409 -0.00329 96 4YZ 0.00004 0.00174 -0.00314 -0.00282 -0.00673 97 10 C 1S -0.00006 -0.00303 0.00509 0.01093 0.00133 98 2S -0.00001 0.00574 -0.01194 -0.02857 -0.00037 99 2PX -0.00001 -0.01008 0.02402 0.04207 -0.00226 100 2PY -0.00015 -0.00030 0.00097 0.00671 -0.00491 101 2PZ 0.00012 -0.00386 0.00344 -0.00785 -0.00358 102 3S 0.00080 0.00805 -0.01129 -0.03984 -0.02588 103 3PX -0.00031 -0.00709 0.01531 0.02921 0.01215 104 3PY -0.00034 0.00263 -0.00572 0.00105 -0.00567 105 3PZ 0.00018 -0.00461 0.00754 -0.00054 -0.01036 106 4XX 0.00004 -0.00125 0.00185 0.00524 -0.00045 107 4YY -0.00003 0.00001 -0.00033 -0.00179 0.00047 108 4ZZ -0.00001 -0.00003 -0.00019 -0.00077 0.00051 109 4XY -0.00004 0.00054 -0.00132 -0.00219 0.00063 110 4XZ 0.00003 -0.00143 0.00291 0.00632 -0.00106 111 4YZ 0.00001 -0.00012 0.00025 0.00050 -0.00046 112 11 C 1S 0.00003 -0.00105 0.00179 0.00247 0.00366 113 2S -0.00007 0.00222 -0.00332 -0.00550 -0.00889 114 2PX 0.00005 -0.00452 0.00773 0.00788 0.01770 115 2PY 0.00022 -0.00121 0.00215 0.00596 -0.00519 116 2PZ 0.00000 -0.00386 0.00886 0.01058 0.01065 117 3S -0.00006 0.00111 -0.00081 -0.00763 -0.00834 118 3PX 0.00012 -0.00009 0.00047 0.00041 -0.00437 119 3PY 0.00010 0.00107 -0.00128 -0.00127 -0.01165 120 3PZ 0.00003 -0.00355 0.00639 0.01153 0.00940 121 4XX 0.00001 -0.00042 0.00063 0.00095 0.00171 122 4YY -0.00000 0.00007 -0.00012 -0.00038 -0.00042 123 4ZZ 0.00000 0.00013 -0.00028 -0.00026 -0.00136 124 4XY 0.00000 0.00009 -0.00032 -0.00105 0.00086 125 4XZ -0.00000 -0.00002 0.00006 0.00030 0.00022 126 4YZ -0.00001 0.00004 0.00007 0.00038 0.00089 127 12 H 1S 0.00004 -0.00194 0.00333 0.00241 0.00990 128 2S 0.00003 -0.00221 0.00326 0.00210 0.01869 129 13 H 1S 0.00003 0.00274 -0.00559 -0.00519 -0.01232 130 2S 0.00011 -0.00147 0.00039 0.00600 -0.00264 131 14 H 1S 0.00000 0.00054 0.00072 0.00317 -0.00485 132 2S -0.00002 0.00079 -0.00032 0.00232 -0.00178 133 15 C 1S -0.00006 0.00101 -0.00241 -0.00397 0.00086 134 2S 0.00012 -0.00208 0.00580 0.00865 -0.00177 135 2PX -0.00011 0.00008 -0.00271 -0.00101 -0.00050 136 2PY -0.00002 -0.00104 0.00369 0.00752 0.00179 137 2PZ 0.00031 -0.01349 0.02390 0.04778 -0.01720 138 3S 0.00011 -0.00214 0.00351 0.01793 -0.01256 139 3PX 0.00025 -0.00241 0.00603 0.01478 -0.00751 140 3PY -0.00004 -0.00008 -0.00082 0.00450 -0.00055 141 3PZ 0.00016 -0.00952 0.01708 0.03766 -0.00960 142 4XX -0.00001 0.00060 -0.00114 -0.00216 0.00041 143 4YY -0.00000 -0.00013 0.00043 0.00124 -0.00034 144 4ZZ -0.00000 0.00007 -0.00004 -0.00011 -0.00004 145 4XY -0.00000 -0.00009 0.00007 0.00025 0.00014 146 4XZ 0.00000 -0.00007 0.00022 0.00110 -0.00042 147 4YZ 0.00001 -0.00026 0.00043 0.00059 -0.00025 148 16 C 1S 0.00002 -0.00046 0.00120 0.00245 -0.00067 149 2S -0.00003 0.00105 -0.00240 -0.00499 0.00101 150 2PX 0.00007 -0.00233 0.00520 0.01096 -0.00273 151 2PY -0.00001 -0.00033 0.00093 0.00218 -0.00062 152 2PZ 0.00003 -0.00159 0.00307 0.00918 -0.00434 153 3S -0.00021 0.00311 -0.00739 -0.02227 0.01049 154 3PX 0.00009 -0.00169 0.00406 0.01194 -0.00456 155 3PY 0.00007 -0.00080 0.00276 0.00563 -0.00070 156 3PZ 0.00001 -0.00082 0.00121 0.00461 -0.00327 157 4XX -0.00001 0.00014 -0.00020 -0.00052 0.00052 158 4YY 0.00001 -0.00001 0.00009 0.00011 -0.00028 159 4ZZ 0.00001 -0.00024 0.00046 0.00101 -0.00037 160 4XY -0.00001 0.00013 -0.00033 -0.00079 0.00011 161 4XZ -0.00001 0.00066 -0.00113 -0.00242 0.00081 162 4YZ -0.00001 0.00037 -0.00065 -0.00147 0.00054 163 17 O 1S -0.00000 -0.00005 0.00016 0.00008 0.00057 164 2S 0.00001 -0.00000 0.00010 0.00047 -0.00113 165 2PX -0.00011 0.00109 -0.00244 -0.00463 0.00461 166 2PY 0.00004 0.00082 -0.00136 -0.00241 -0.00097 167 2PZ -0.00011 0.00638 -0.01083 -0.02403 0.00716 168 3S -0.00003 0.00059 -0.00232 -0.00274 -0.00335 169 3PX -0.00008 0.00099 -0.00204 -0.00481 0.00480 170 3PY 0.00004 0.00052 -0.00051 -0.00102 -0.00102 171 3PZ -0.00009 0.00509 -0.00864 -0.01960 0.00614 172 4XX 0.00000 -0.00002 0.00013 0.00018 0.00007 173 4YY 0.00000 -0.00009 0.00026 0.00041 0.00022 174 4ZZ 0.00000 0.00002 0.00008 0.00006 0.00016 175 4XY 0.00000 -0.00002 0.00000 0.00002 -0.00017 176 4XZ 0.00000 -0.00007 0.00010 0.00020 -0.00007 177 4YZ 0.00000 -0.00023 0.00037 0.00074 -0.00019 178 18 H 1S 0.00003 -0.00041 0.00108 0.00240 -0.00064 179 2S 0.00007 -0.00113 0.00298 0.00770 -0.00195 180 19 H 1S 0.00005 -0.00104 0.00217 0.00480 -0.00150 181 2S -0.00002 -0.00089 0.00130 0.00719 -0.00047 182 20 H 1S 0.00013 0.00737 -0.01854 -0.00320 -0.00688 183 2S 0.00064 0.01068 -0.02185 -0.00553 -0.01737 184 21 H 1S -0.00103 0.00757 -0.01905 -0.01579 0.02662 185 2S -0.00096 0.00952 -0.02073 -0.02342 0.06150 186 22 H 1S 0.00015 -0.05254 0.10115 0.09772 -0.10443 187 2S 0.00099 -0.00505 0.01988 0.07973 -0.09473 188 23 H 1S -0.00164 -0.05347 0.10193 -0.01281 0.26871 189 2S -0.00136 -0.00338 0.01735 -0.00695 0.22891 190 24 H 1S -0.00047 0.01201 -0.02755 0.03470 0.03383 191 2S -0.00039 0.01709 -0.03448 0.06900 0.06921 192 25 H 1S -0.00010 -0.00227 0.00379 -0.00900 -0.00281 193 2S -0.00005 -0.00032 0.00106 -0.00200 0.00704 194 26 H 1S -0.00053 0.00246 -0.00448 0.01022 0.00276 195 2S -0.00106 0.00412 -0.00799 0.02256 0.00740 196 27 H 1S 0.00083 0.00201 -0.00438 0.00913 0.00205 197 2S 0.00159 0.00346 -0.00798 0.01906 0.00645 71 72 73 74 75 71 2PZ 0.38770 72 3S 0.00131 0.32589 73 3PX -0.01345 -0.01340 0.09584 74 3PY 0.00504 -0.00442 0.00169 0.08754 75 3PZ 0.17167 0.00436 -0.00565 0.00086 0.07843 76 4XX 0.00707 -0.00418 -0.00489 -0.00401 0.00322 77 4YY -0.00279 0.00006 0.00002 0.01059 -0.00143 78 4ZZ -0.00944 -0.00223 0.00556 -0.00512 -0.00426 79 4XY 0.00289 -0.00097 -0.00425 -0.00055 0.00135 80 4XZ 0.01426 -0.00288 0.00118 0.00101 0.00614 81 4YZ -0.01109 0.00149 0.00134 -0.00301 -0.00465 82 9 C 1S -0.04662 0.00673 -0.00562 0.00283 -0.01018 83 2S 0.09486 0.00401 0.01994 -0.01066 0.02903 84 2PX -0.14639 -0.06305 -0.05264 0.02440 -0.06385 85 2PY 0.05805 0.03745 0.02353 -0.00761 0.03310 86 2PZ -0.16800 -0.08985 -0.07483 0.02226 -0.08070 87 3S 0.10789 -0.01780 0.00820 -0.00724 0.03513 88 3PX -0.07402 -0.00978 -0.02261 0.01278 -0.03100 89 3PY 0.03375 0.01467 0.01112 -0.00363 0.01768 90 3PZ -0.08695 -0.02216 -0.03049 0.01084 -0.04142 91 4XX 0.00445 0.00453 -0.00367 -0.00080 0.00282 92 4YY -0.00344 -0.00489 -0.00128 0.00348 -0.00238 93 4ZZ -0.00697 0.00251 0.00350 -0.00171 -0.00304 94 4XY -0.00362 -0.00267 -0.00079 -0.00243 -0.00184 95 4XZ 0.00627 0.01108 0.00237 -0.00202 0.00318 96 4YZ -0.00352 -0.00268 -0.00184 -0.00318 -0.00154 97 10 C 1S 0.00321 0.00760 0.01278 0.00091 0.00131 98 2S -0.00568 -0.01328 -0.01996 0.00076 -0.00145 99 2PX 0.01714 0.03728 0.01763 -0.00325 0.01593 100 2PY -0.00062 -0.00898 0.01440 -0.00945 -0.01509 101 2PZ -0.01580 0.07326 -0.00348 -0.01950 -0.00079 102 3S -0.00421 -0.00876 -0.01848 -0.01044 -0.00120 103 3PX 0.01021 0.01927 0.01302 0.00318 0.00657 104 3PY -0.01282 -0.00802 0.00009 -0.00376 -0.00837 105 3PZ 0.00041 0.04921 0.00097 -0.01523 0.00464 106 4XX 0.00512 0.00211 0.00191 -0.00014 0.00209 107 4YY -0.00014 -0.00066 -0.00047 -0.00002 -0.00016 108 4ZZ -0.00260 -0.00074 -0.00007 0.00035 -0.00129 109 4XY -0.00179 -0.00167 -0.00120 0.00060 -0.00169 110 4XZ 0.00442 0.00509 0.00349 -0.00106 0.00244 111 4YZ 0.00063 -0.00185 -0.00053 0.00026 0.00024 112 11 C 1S -0.00008 0.00283 0.00023 0.00371 0.00040 113 2S -0.00189 -0.00984 -0.00043 -0.00670 -0.00215 114 2PX 0.00119 0.02701 -0.00633 0.01811 0.00019 115 2PY 0.00491 0.00694 -0.00202 0.00034 0.01328 116 2PZ 0.00214 0.01122 -0.01462 0.00052 0.00188 117 3S 0.01456 -0.00280 0.00030 -0.00695 0.00390 118 3PX -0.00697 0.01109 -0.00587 0.00334 -0.00292 119 3PY 0.00285 0.00339 -0.00442 -0.00347 0.00738 120 3PZ -0.00077 0.00886 -0.00312 0.00258 0.00014 121 4XX 0.00029 0.00123 -0.00022 0.00125 0.00030 122 4YY -0.00017 -0.00039 -0.00025 -0.00031 -0.00036 123 4ZZ -0.00054 -0.00057 0.00036 -0.00086 0.00012 124 4XY -0.00055 -0.00024 -0.00056 0.00071 -0.00064 125 4XZ 0.00026 0.00030 0.00103 0.00033 0.00008 126 4YZ 0.00022 -0.00252 -0.00057 0.00091 -0.00009 127 12 H 1S 0.00077 0.01139 -0.00529 0.01017 0.00088 128 2S 0.00335 0.00525 -0.00324 0.01317 0.00118 129 13 H 1S -0.00163 -0.00680 0.01101 -0.00729 0.00184 130 2S -0.00977 0.00769 0.01454 -0.00357 -0.00108 131 14 H 1S 0.00088 -0.01004 -0.00605 -0.00652 0.00348 132 2S -0.00290 -0.01552 -0.00717 -0.00260 0.00110 133 15 C 1S -0.00419 -0.00458 0.00089 -0.00026 -0.00475 134 2S 0.01112 0.00690 -0.00105 0.00069 0.01066 135 2PX -0.00747 0.00492 0.00882 -0.00748 -0.01623 136 2PY 0.00389 0.00180 -0.00148 0.00238 0.00377 137 2PZ 0.03292 0.09518 0.02695 -0.02474 0.02601 138 3S 0.00361 0.00819 0.00164 -0.00397 0.00750 139 3PX 0.00903 0.01485 0.01138 -0.00702 -0.00047 140 3PY -0.00115 -0.00154 0.00034 -0.00015 -0.00085 141 3PZ 0.02893 0.07035 0.02192 -0.01752 0.02079 142 4XX -0.00119 -0.00174 -0.00106 0.00038 -0.00083 143 4YY 0.00097 0.00042 0.00067 -0.00023 0.00051 144 4ZZ -0.00041 0.00049 0.00018 -0.00027 -0.00033 145 4XY -0.00001 0.00024 0.00050 -0.00013 -0.00026 146 4XZ 0.00098 -0.00153 0.00064 0.00025 0.00023 147 4YZ 0.00007 0.00219 0.00022 -0.00051 0.00027 148 16 C 1S 0.00172 0.00094 0.00039 0.00038 0.00169 149 2S -0.00412 -0.00379 -0.00052 -0.00065 -0.00449 150 2PX 0.00930 0.01208 0.00227 0.00124 0.01265 151 2PY 0.00101 0.00149 0.00018 0.00092 0.00420 152 2PZ 0.00726 0.00457 0.00837 -0.00166 0.00071 153 3S -0.01041 -0.00822 -0.00937 0.00433 -0.00706 154 3PX 0.00430 0.00699 0.00429 -0.00079 0.00381 155 3PY 0.00495 0.00301 0.00207 0.00049 0.00350 156 3PZ 0.00434 -0.00039 0.00427 -0.00068 0.00077 157 4XX -0.00048 -0.00091 -0.00057 0.00064 -0.00042 158 4YY 0.00027 -0.00041 0.00013 -0.00009 0.00039 159 4ZZ 0.00056 0.00178 0.00051 -0.00051 0.00042 160 4XY -0.00058 -0.00019 -0.00043 0.00031 -0.00026 161 4XZ -0.00166 -0.00463 -0.00128 0.00124 -0.00122 162 4YZ -0.00112 -0.00318 -0.00074 0.00096 -0.00094 163 17 O 1S 0.00001 0.00017 0.00023 0.00001 0.00007 164 2S 0.00063 0.00074 -0.00040 0.00027 0.00110 165 2PX -0.00593 0.00048 -0.00546 0.00656 -0.00524 166 2PY -0.00077 -0.01244 0.00139 -0.00184 -0.00618 167 2PZ -0.01708 -0.05403 -0.01044 0.01594 -0.01445 168 3S -0.00276 -0.00387 -0.00041 -0.00215 -0.00355 169 3PX -0.00450 -0.00033 -0.00479 0.00556 -0.00363 170 3PY -0.00011 -0.00724 0.00073 -0.00094 -0.00262 171 3PZ -0.01418 -0.04055 -0.00909 0.01190 -0.01136 172 4XX 0.00015 -0.00005 0.00015 -0.00008 0.00009 173 4YY 0.00036 0.00098 -0.00004 0.00021 0.00061 174 4ZZ 0.00011 -0.00022 0.00000 0.00022 0.00006 175 4XY 0.00001 -0.00004 0.00017 -0.00031 0.00006 176 4XZ 0.00015 0.00079 0.00002 -0.00023 0.00022 177 4YZ 0.00049 0.00200 0.00021 -0.00059 0.00051 178 18 H 1S 0.00251 0.00011 0.00123 -0.00065 0.00174 179 2S 0.00710 -0.00009 0.00341 -0.00125 0.00504 180 19 H 1S 0.00504 0.00408 0.00259 -0.00085 0.00481 181 2S 0.00203 0.00067 0.00502 -0.00094 0.00061 182 20 H 1S -0.03085 -0.03160 -0.01217 -0.00253 -0.01971 183 2S -0.07330 -0.03680 -0.00718 -0.00531 -0.03440 184 21 H 1S -0.01658 -0.03363 -0.01202 0.01406 -0.01823 185 2S -0.02984 -0.03143 -0.00844 0.02784 -0.02103 186 22 H 1S -0.22510 0.09293 0.05170 -0.04709 -0.09917 187 2S -0.19989 0.00791 0.04212 -0.04077 -0.08802 188 23 H 1S -0.02146 0.09574 -0.00088 0.12121 -0.01103 189 2S -0.01644 0.00721 0.00195 0.10039 -0.00899 190 24 H 1S -0.00401 -0.06295 0.03521 0.01684 -0.00376 191 2S -0.01415 -0.07399 0.04940 0.03077 -0.00909 192 25 H 1S 0.00173 0.01482 -0.00830 -0.00606 0.00178 193 2S 0.00104 0.00099 0.00005 0.00134 0.00057 194 26 H 1S 0.00286 -0.02144 0.00603 0.00485 -0.00137 195 2S 0.00739 -0.02479 0.00968 0.00704 0.00138 196 27 H 1S -0.00685 -0.01866 0.01440 0.00797 -0.00159 197 2S -0.01643 -0.02217 0.02212 0.01165 -0.00639 76 77 78 79 80 76 4XX 0.00135 77 4YY -0.00065 0.00187 78 4ZZ -0.00022 -0.00056 0.00144 79 4XY 0.00032 -0.00001 -0.00034 0.00057 80 4XZ 0.00026 0.00000 -0.00031 -0.00003 0.00122 81 4YZ -0.00007 -0.00044 0.00054 -0.00004 -0.00035 82 9 C 1S -0.00166 0.00165 -0.00247 0.00164 -0.00508 83 2S 0.00256 -0.00406 0.00361 -0.00299 0.00948 84 2PX 0.00726 0.00365 -0.00703 0.00245 -0.00522 85 2PY 0.00188 -0.00762 0.00372 0.00544 0.00346 86 2PZ -0.00463 0.00371 0.00706 0.00379 -0.00723 87 3S 0.00507 -0.00451 0.00137 -0.00293 0.01353 88 3PX 0.00313 0.00175 -0.00327 0.00078 -0.00220 89 3PY 0.00062 -0.00300 0.00133 0.00270 0.00253 90 3PZ -0.00302 0.00228 0.00343 0.00171 -0.00415 91 4XX 0.00054 -0.00020 -0.00057 0.00041 -0.00017 92 4YY -0.00031 0.00087 -0.00029 -0.00030 -0.00008 93 4ZZ -0.00049 -0.00038 0.00091 -0.00005 -0.00024 94 4XY 0.00036 -0.00024 -0.00006 0.00008 -0.00019 95 4XZ -0.00011 -0.00011 -0.00020 -0.00015 0.00011 96 4YZ 0.00006 -0.00053 0.00058 0.00022 -0.00016 97 10 C 1S -0.00220 0.00012 0.00070 -0.00075 0.00005 98 2S 0.00423 -0.00055 -0.00205 0.00149 0.00022 99 2PX -0.00914 0.00237 0.00501 -0.00205 -0.00218 100 2PY -0.00212 0.00078 0.00078 -0.00047 -0.00058 101 2PZ -0.00118 0.00003 0.00025 0.00034 -0.00078 102 3S 0.00373 -0.00195 -0.00139 0.00227 -0.00239 103 3PX -0.00327 0.00134 0.00126 -0.00117 0.00068 104 3PY 0.00053 -0.00029 0.00018 -0.00028 0.00043 105 3PZ -0.00091 -0.00032 0.00023 0.00016 -0.00051 106 4XX 0.00015 -0.00023 0.00005 -0.00007 0.00045 107 4YY -0.00019 0.00024 -0.00006 -0.00007 -0.00014 108 4ZZ -0.00019 0.00005 0.00014 -0.00000 -0.00015 109 4XY 0.00026 0.00010 -0.00025 -0.00013 0.00006 110 4XZ -0.00011 -0.00001 -0.00012 -0.00018 0.00017 111 4YZ 0.00004 -0.00006 0.00003 -0.00000 0.00001 112 11 C 1S -0.00013 -0.00013 -0.00006 -0.00011 0.00021 113 2S -0.00003 0.00023 0.00013 0.00002 -0.00047 114 2PX -0.00023 -0.00001 -0.00035 -0.00090 0.00073 115 2PY 0.00125 -0.00146 0.00013 0.00044 0.00082 116 2PZ -0.00087 0.00108 -0.00032 -0.00110 -0.00001 117 3S -0.00082 0.00090 -0.00038 -0.00048 -0.00042 118 3PX 0.00027 -0.00082 0.00041 -0.00040 -0.00008 119 3PY 0.00183 -0.00158 -0.00026 0.00050 0.00068 120 3PZ -0.00064 0.00082 -0.00025 -0.00081 -0.00004 121 4XX 0.00004 0.00000 -0.00005 -0.00002 0.00010 122 4YY 0.00001 0.00001 0.00001 0.00001 -0.00004 123 4ZZ 0.00002 -0.00006 0.00006 0.00004 -0.00004 124 4XY 0.00022 -0.00005 -0.00015 0.00006 0.00006 125 4XZ -0.00000 0.00000 -0.00002 0.00001 0.00002 126 4YZ 0.00001 0.00007 -0.00003 -0.00005 0.00002 127 12 H 1S 0.00038 -0.00012 -0.00045 -0.00033 0.00052 128 2S 0.00052 0.00024 -0.00089 0.00006 0.00071 129 13 H 1S 0.00035 -0.00062 0.00044 0.00083 -0.00023 130 2S -0.00067 -0.00006 0.00082 0.00038 -0.00057 131 14 H 1S -0.00021 0.00025 0.00031 -0.00018 -0.00023 132 2S -0.00050 0.00015 0.00086 -0.00007 -0.00025 133 15 C 1S 0.00053 0.00012 -0.00049 -0.00009 0.00009 134 2S -0.00104 -0.00017 0.00105 0.00020 -0.00004 135 2PX 0.00128 -0.00010 -0.00170 -0.00047 0.00080 136 2PY -0.00088 0.00050 0.00066 -0.00045 -0.00010 137 2PZ -0.00257 -0.00050 0.00060 -0.00090 0.00108 138 3S -0.00079 -0.00133 0.00222 0.00028 0.00042 139 3PX -0.00040 -0.00056 0.00024 -0.00022 0.00028 140 3PY -0.00039 0.00019 0.00049 -0.00039 0.00008 141 3PZ -0.00154 -0.00021 -0.00015 -0.00081 0.00130 142 4XX 0.00037 -0.00003 -0.00026 0.00004 0.00006 143 4YY -0.00021 0.00002 0.00014 -0.00002 -0.00002 144 4ZZ 0.00001 -0.00001 -0.00002 -0.00000 0.00000 145 4XY -0.00002 0.00001 -0.00003 -0.00002 0.00002 146 4XZ 0.00000 -0.00004 0.00002 -0.00002 0.00005 147 4YZ -0.00006 0.00000 0.00003 -0.00002 -0.00001 148 16 C 1S -0.00034 0.00003 0.00032 0.00000 -0.00006 149 2S 0.00075 -0.00006 -0.00065 -0.00001 0.00013 150 2PX -0.00142 0.00001 0.00132 -0.00005 -0.00020 151 2PY -0.00020 -0.00012 0.00023 0.00007 0.00017 152 2PZ -0.00004 -0.00025 -0.00031 -0.00021 0.00048 153 3S 0.00179 0.00072 -0.00214 0.00001 0.00000 154 3PX -0.00077 -0.00035 0.00104 -0.00012 0.00007 155 3PY -0.00062 0.00000 0.00044 -0.00008 -0.00002 156 3PZ 0.00011 -0.00020 -0.00020 -0.00010 0.00029 157 4XX 0.00002 0.00003 0.00000 -0.00000 0.00000 158 4YY -0.00008 -0.00000 0.00006 0.00002 -0.00005 159 4ZZ -0.00003 -0.00002 0.00001 -0.00002 0.00002 160 4XY 0.00009 -0.00002 -0.00005 0.00002 0.00003 161 4XZ 0.00009 0.00003 -0.00001 0.00005 -0.00008 162 4YZ 0.00004 0.00002 -0.00000 0.00003 -0.00006 163 17 O 1S -0.00002 0.00001 -0.00002 -0.00005 0.00002 164 2S -0.00008 -0.00002 0.00009 0.00010 -0.00003 165 2PX 0.00080 0.00018 -0.00034 -0.00012 0.00035 166 2PY -0.00009 0.00010 -0.00014 0.00006 -0.00042 167 2PZ 0.00076 0.00022 -0.00007 0.00053 -0.00085 168 3S 0.00038 -0.00017 -0.00016 0.00020 -0.00004 169 3PX 0.00063 0.00021 -0.00038 -0.00008 0.00026 170 3PY -0.00021 0.00007 0.00006 0.00002 -0.00034 171 3PZ 0.00058 0.00022 -0.00004 0.00042 -0.00072 172 4XX -0.00003 0.00001 0.00001 -0.00000 -0.00001 173 4YY -0.00003 0.00001 0.00003 -0.00001 0.00002 174 4ZZ -0.00002 0.00001 0.00001 -0.00000 -0.00001 175 4XY 0.00000 -0.00001 -0.00001 0.00001 -0.00000 176 4XZ -0.00001 0.00000 0.00001 -0.00000 0.00001 177 4YZ -0.00003 -0.00000 0.00001 -0.00002 0.00002 178 18 H 1S -0.00048 0.00009 0.00035 -0.00006 -0.00025 179 2S -0.00121 0.00012 0.00091 -0.00010 -0.00034 180 19 H 1S -0.00080 -0.00011 0.00062 0.00015 -0.00006 181 2S -0.00120 0.00027 0.00075 -0.00033 -0.00011 182 20 H 1S -0.00285 -0.00292 0.00885 0.00165 0.00078 183 2S -0.00335 -0.00276 0.00872 0.00146 -0.00331 184 21 H 1S -0.00142 0.00545 -0.00126 -0.00435 0.00089 185 2S -0.00316 0.00787 -0.00263 -0.00303 -0.00107 186 22 H 1S -0.00581 -0.00493 0.01115 -0.00405 -0.00942 187 2S -0.00427 -0.00521 0.01143 -0.00317 -0.00904 188 23 H 1S -0.00901 0.01705 -0.00798 -0.00105 -0.00008 189 2S -0.00747 0.01565 -0.00672 -0.00058 0.00073 190 24 H 1S -0.00231 0.00671 -0.00150 0.00515 0.00082 191 2S -0.00521 0.00859 -0.00069 0.00255 0.00146 192 25 H 1S -0.00013 -0.00012 -0.00032 0.00021 -0.00002 193 2S -0.00054 0.00090 -0.00050 0.00052 0.00015 194 26 H 1S 0.00099 -0.00019 -0.00042 -0.00017 0.00215 195 2S 0.00147 -0.00015 -0.00061 -0.00031 0.00394 196 27 H 1S -0.00040 -0.00007 0.00080 -0.00044 -0.00225 197 2S -0.00097 0.00017 0.00160 -0.00078 -0.00398 81 82 83 84 85 81 4YZ 0.00060 82 9 C 1S 0.00170 2.05175 83 2S -0.00305 -0.05417 0.30587 84 2PX 0.00253 0.00140 -0.00202 0.38640 85 2PY 0.00654 0.00211 -0.00220 -0.00748 0.40783 86 2PZ 0.00327 -0.00245 0.00085 -0.00629 0.00688 87 3S -0.00288 -0.19822 0.30217 0.01831 0.00446 88 3PX 0.00154 -0.00239 0.00161 0.17740 -0.00133 89 3PY 0.00271 -0.00044 -0.00189 -0.01391 0.18404 90 3PZ 0.00166 0.00226 -0.00053 0.00212 0.00340 91 4XX 0.00003 -0.01529 -0.00599 0.01150 0.00891 92 4YY -0.00049 -0.01792 -0.00018 -0.00106 -0.02353 93 4ZZ 0.00054 -0.01680 -0.00278 -0.01179 0.01128 94 4XY 0.00013 0.00037 -0.00068 0.00946 -0.00040 95 4XZ -0.00014 0.00093 -0.00194 -0.00580 -0.00253 96 4YZ 0.00034 -0.00066 0.00149 -0.00277 0.00829 97 10 C 1S -0.00023 0.01221 -0.02174 -0.06500 -0.02326 98 2S 0.00046 -0.02310 0.03949 0.13683 0.04705 99 2PX -0.00143 0.06157 -0.12297 -0.28000 -0.09590 100 2PY -0.00069 0.02123 -0.04038 -0.09752 -0.02292 101 2PZ 0.00054 -0.00973 0.02050 0.06370 0.01839 102 3S 0.00094 0.00903 -0.00543 0.10993 0.06128 103 3PX -0.00056 0.00542 -0.02501 -0.08963 -0.02922 104 3PY 0.00034 -0.00581 0.00520 0.00413 -0.00635 105 3PZ 0.00013 -0.00003 0.00342 0.02037 0.00738 106 4XX -0.00002 -0.00568 0.01021 0.00253 0.00648 107 4YY -0.00018 0.00215 -0.00488 -0.00656 -0.00947 108 4ZZ 0.00007 0.00121 -0.00264 -0.00468 -0.00110 109 4XY -0.00014 -0.00367 0.00697 0.00983 -0.00702 110 4XZ -0.00011 0.00157 -0.00256 -0.00324 -0.00191 111 4YZ 0.00004 0.00071 -0.00134 -0.00216 0.00164 112 11 C 1S 0.00015 -0.00391 0.00671 0.00965 0.01093 113 2S -0.00033 0.00643 -0.01514 -0.01952 -0.02412 114 2PX 0.00005 -0.01064 0.02408 0.02377 0.02102 115 2PY 0.00102 -0.01234 0.02653 0.04551 0.03057 116 2PZ -0.00028 0.00288 -0.00899 -0.00417 -0.01108 117 3S -0.00158 0.01777 -0.02710 -0.05602 -0.06072 118 3PX 0.00040 -0.00773 0.01496 0.01755 0.01128 119 3PY 0.00085 -0.01078 0.02014 0.04744 0.02907 120 3PZ -0.00020 0.00160 -0.00478 0.00020 -0.00938 121 4XX 0.00004 -0.00134 0.00244 0.00342 0.00314 122 4YY -0.00001 0.00015 -0.00066 -0.00035 -0.00007 123 4ZZ 0.00004 -0.00012 -0.00035 -0.00040 -0.00094 124 4XY 0.00005 -0.00143 0.00281 0.00736 0.00437 125 4XZ -0.00002 -0.00015 0.00035 0.00009 -0.00010 126 4YZ -0.00003 0.00031 -0.00078 -0.00177 -0.00141 127 12 H 1S 0.00016 -0.00812 0.01706 0.02705 0.01729 128 2S 0.00023 -0.00818 0.01740 0.03639 0.03130 129 13 H 1S 0.00021 0.00126 -0.00115 -0.00191 -0.00299 130 2S 0.00040 -0.00027 0.00015 0.00115 0.00111 131 14 H 1S 0.00001 0.00496 -0.01276 -0.01532 -0.01582 132 2S 0.00027 0.00284 -0.00905 -0.02360 -0.00584 133 15 C 1S -0.00009 -0.00446 0.00939 0.01732 -0.00513 134 2S 0.00015 0.00870 -0.02022 -0.03852 0.01242 135 2PX -0.00026 -0.01412 0.03440 0.04850 -0.00726 136 2PY -0.00034 0.00089 -0.00246 -0.02136 -0.02069 137 2PZ -0.00048 0.00329 -0.00486 -0.01660 0.00211 138 3S 0.00100 0.00578 -0.01047 -0.04625 0.03640 139 3PX -0.00007 -0.00121 0.00268 -0.01610 0.01230 140 3PY -0.00023 -0.00274 0.00677 -0.01087 -0.01544 141 3PZ -0.00061 0.00025 0.00128 -0.00422 -0.00337 142 4XX 0.00002 -0.00244 0.00469 0.01207 0.00067 143 4YY -0.00003 0.00176 -0.00335 -0.00810 -0.00057 144 4ZZ 0.00001 -0.00055 0.00075 0.00110 0.00023 145 4XY -0.00001 -0.00020 0.00042 -0.00035 -0.00041 146 4XZ -0.00001 0.00037 -0.00076 -0.00306 0.00003 147 4YZ 0.00000 0.00007 -0.00009 0.00028 0.00009 148 16 C 1S -0.00000 0.00236 -0.00587 -0.01167 0.00085 149 2S 0.00002 -0.00600 0.01296 0.02644 -0.00025 150 2PX -0.00001 0.01069 -0.02273 -0.04710 0.00090 151 2PY 0.00009 0.00038 -0.00149 -0.00352 0.00389 152 2PZ -0.00009 -0.00198 0.00417 0.00385 0.00001 153 3S -0.00038 -0.01001 0.02386 0.07406 -0.02080 154 3PX 0.00017 0.00316 -0.00820 -0.03281 0.00893 155 3PY -0.00008 0.00381 -0.00708 -0.02084 -0.00030 156 3PZ -0.00004 -0.00076 0.00205 0.00292 -0.00046 157 4XX -0.00001 0.00005 0.00008 -0.00075 -0.00047 158 4YY 0.00001 0.00066 -0.00175 -0.00220 -0.00007 159 4ZZ -0.00000 -0.00010 -0.00003 -0.00025 0.00031 160 4XY 0.00001 -0.00037 0.00095 0.00206 0.00078 161 4XZ 0.00003 -0.00005 -0.00019 0.00062 0.00008 162 4YZ 0.00002 0.00003 -0.00018 0.00014 -0.00009 163 17 O 1S -0.00001 -0.00027 0.00080 0.00066 -0.00009 164 2S 0.00001 0.00110 -0.00274 -0.00389 -0.00006 165 2PX -0.00012 -0.00415 0.01278 0.00959 -0.00263 166 2PY -0.00000 0.00092 -0.00455 -0.00150 -0.00474 167 2PZ 0.00041 0.00060 -0.00386 0.00379 0.00087 168 3S 0.00013 -0.00073 0.00054 0.00694 0.00200 169 3PX -0.00013 -0.00352 0.01059 0.01107 -0.00320 170 3PY -0.00001 0.00145 -0.00508 -0.00545 -0.00441 171 3PZ 0.00031 0.00050 -0.00312 0.00326 0.00034 172 4XX -0.00000 0.00001 -0.00021 -0.00023 -0.00003 173 4YY -0.00001 0.00012 -0.00003 -0.00079 0.00025 174 4ZZ -0.00000 0.00006 -0.00026 -0.00060 -0.00011 175 4XY 0.00001 -0.00007 0.00005 0.00060 0.00029 176 4XZ -0.00001 0.00003 0.00000 -0.00020 -0.00005 177 4YZ -0.00001 0.00001 0.00006 -0.00017 -0.00005 178 18 H 1S -0.00004 0.00340 -0.00771 -0.01474 -0.00373 179 2S -0.00008 0.00819 -0.01777 -0.03891 -0.00492 180 19 H 1S 0.00009 0.00794 -0.01726 -0.03101 0.00952 181 2S -0.00027 0.00598 -0.01355 -0.04165 -0.01070 182 20 H 1S 0.00282 -0.05278 0.10133 -0.09135 0.11639 183 2S 0.00416 -0.00424 0.01751 -0.07647 0.10101 184 21 H 1S -0.00551 -0.05324 0.10268 -0.00021 -0.26734 185 2S -0.00483 -0.00454 0.01865 -0.00733 -0.23135 186 22 H 1S 0.00907 0.00801 -0.01930 0.00552 0.00422 187 2S 0.00798 0.01148 -0.02413 0.00836 0.01259 188 23 H 1S -0.00359 0.00757 -0.01969 0.01910 -0.02576 189 2S -0.00407 0.01050 -0.02199 0.02645 -0.05836 190 24 H 1S -0.00142 0.00370 -0.00611 0.00962 0.00839 191 2S -0.00151 0.00090 -0.00180 0.00481 -0.00599 192 25 H 1S -0.00003 0.00016 -0.00039 0.00113 -0.00043 193 2S -0.00022 0.00055 -0.00123 0.00175 0.00069 194 26 H 1S 0.00027 -0.00302 0.00528 -0.00950 0.00269 195 2S 0.00034 -0.00551 0.01007 -0.02021 0.00525 196 27 H 1S -0.00011 0.00242 -0.00398 0.00657 -0.00137 197 2S -0.00012 0.00438 -0.00716 0.01210 -0.00306 86 87 88 89 90 86 2PZ 0.39112 87 3S -0.01854 0.35517 88 3PX -0.00605 0.02017 0.08840 89 3PY 0.00290 0.00617 -0.00456 0.08675 90 3PZ 0.18089 -0.01663 -0.00023 0.00101 0.08828 91 4XX -0.00767 -0.00503 0.00514 0.00329 -0.00320 92 4YY 0.00437 0.00036 -0.00096 -0.01011 0.00203 93 4ZZ 0.00881 -0.00259 -0.00503 0.00508 0.00405 94 4XY -0.00258 -0.00124 0.00354 -0.00024 -0.00094 95 4XZ -0.01228 -0.00232 -0.00176 -0.00070 -0.00480 96 4YZ 0.01225 0.00107 -0.00125 0.00369 0.00544 97 10 C 1S 0.01415 -0.00142 -0.01416 -0.00425 0.00610 98 2S -0.03197 0.00742 0.03873 0.00774 -0.01198 99 2PX 0.06952 -0.15085 -0.13131 -0.04418 0.03103 100 2PY 0.01942 -0.07761 -0.06847 0.00436 0.01587 101 2PZ 0.03579 0.01640 0.04750 0.01570 0.03525 102 3S -0.02828 -0.04371 0.02460 0.01500 -0.00780 103 3PX 0.01227 -0.01956 -0.03630 -0.00876 0.00525 104 3PY 0.00402 0.00557 -0.00076 -0.00127 0.00209 105 3PZ 0.01071 -0.00306 0.01891 0.00709 0.01685 106 4XX -0.00384 0.01322 0.00248 0.00290 -0.00164 107 4YY 0.00092 -0.00698 -0.00356 -0.00360 0.00030 108 4ZZ 0.00484 -0.00155 -0.00141 -0.00011 0.00201 109 4XY -0.00206 0.00824 0.00448 -0.00323 -0.00081 110 4XZ -0.01032 -0.00257 -0.00083 -0.00039 -0.00408 111 4YZ -0.00150 -0.00094 -0.00131 0.00065 -0.00203 112 11 C 1S -0.00000 0.01804 0.00802 0.00587 -0.00058 113 2S 0.00119 -0.02478 -0.01252 -0.01028 0.00019 114 2PX -0.00131 0.05665 0.02403 0.00298 -0.00220 115 2PY -0.01042 0.07574 0.05297 0.00845 -0.01184 116 2PZ -0.01921 -0.00487 0.00328 0.00131 -0.02773 117 3S -0.00512 -0.04823 -0.03225 -0.02504 -0.00084 118 3PX 0.00594 0.02738 0.01356 -0.00055 0.00215 119 3PY -0.01530 0.04626 0.03683 0.00743 -0.01009 120 3PZ -0.01583 -0.00358 0.00298 -0.00197 -0.01532 121 4XX -0.00101 0.00546 0.00306 0.00118 -0.00092 122 4YY -0.00007 -0.00343 -0.00194 -0.00020 0.00018 123 4ZZ 0.00076 -0.00010 0.00041 -0.00043 0.00050 124 4XY -0.00165 0.00329 0.00307 0.00185 -0.00059 125 4XZ -0.00023 0.00017 -0.00014 -0.00036 0.00086 126 4YZ -0.00161 -0.00029 -0.00116 -0.00067 -0.00218 127 12 H 1S -0.00610 0.04369 0.02438 0.00425 -0.00615 128 2S -0.01007 0.04519 0.02668 0.01464 -0.00872 129 13 H 1S 0.01156 -0.00436 0.00093 -0.00406 0.01649 130 2S 0.01534 -0.00339 0.00476 -0.00182 0.01933 131 14 H 1S -0.00735 -0.01048 -0.00173 -0.00385 -0.01600 132 2S 0.00823 -0.00447 -0.00698 -0.00027 -0.00958 133 15 C 1S -0.00339 0.01552 0.00794 -0.00112 -0.00006 134 2S 0.00614 -0.02446 -0.01550 0.00516 -0.00094 135 2PX -0.01510 0.06517 0.03097 0.00954 0.00274 136 2PY 0.00599 0.01083 -0.01243 -0.02404 0.00286 137 2PZ -0.02920 -0.01559 0.00914 0.00698 0.00750 138 3S 0.01949 -0.01984 -0.01840 0.01107 0.00650 139 3PX -0.00687 -0.00060 -0.00900 0.00923 0.00378 140 3PY 0.00743 0.00859 -0.00618 -0.01192 0.00390 141 3PZ -0.03317 -0.00150 0.01192 0.00384 0.00138 142 4XX -0.00324 0.00726 0.00586 -0.00012 -0.00152 143 4YY 0.00153 -0.00635 -0.00451 0.00037 0.00060 144 4ZZ 0.00031 0.00104 0.00066 0.00016 0.00048 145 4XY -0.00002 0.00147 0.00074 0.00061 0.00006 146 4XZ -0.00142 -0.00073 -0.00185 -0.00000 -0.00119 147 4YZ 0.00018 -0.00040 0.00043 0.00006 0.00051 148 16 C 1S 0.00234 -0.00839 -0.00534 0.00137 -0.00012 149 2S -0.00533 0.02319 0.01384 -0.00036 -0.00057 150 2PX 0.00736 -0.06208 -0.03191 -0.00908 0.00236 151 2PY -0.00021 -0.00162 0.00539 -0.00503 -0.00131 152 2PZ -0.01418 0.01827 0.00621 0.00425 -0.00741 153 3S -0.01471 0.04631 0.03879 -0.00998 -0.00564 154 3PX 0.00606 -0.02688 -0.02106 -0.00087 0.00354 155 3PY 0.00237 -0.00791 -0.00842 -0.00231 0.00058 156 3PZ -0.01006 0.00988 0.00351 0.00191 -0.00626 157 4XX 0.00085 -0.00038 -0.00093 -0.00078 0.00021 158 4YY 0.00048 -0.00205 -0.00103 0.00039 -0.00020 159 4ZZ -0.00066 -0.00033 0.00008 0.00033 0.00014 160 4XY -0.00021 -0.00040 0.00096 -0.00027 -0.00004 161 4XZ 0.00183 0.00039 -0.00046 -0.00013 -0.00035 162 4YZ 0.00127 0.00068 -0.00041 -0.00011 -0.00039 163 17 O 1S -0.00003 0.00093 0.00033 -0.00027 0.00046 164 2S 0.00024 -0.00548 -0.00185 -0.00178 -0.00076 165 2PX 0.00257 -0.01156 -0.00873 -0.01234 0.00378 166 2PY 0.00129 0.02459 0.00207 0.01404 -0.00366 167 2PZ 0.01777 0.01136 -0.00359 -0.00082 -0.00931 168 3S -0.00093 0.00415 0.00291 0.00656 -0.00159 169 3PX 0.00115 -0.00408 -0.00278 -0.01025 0.00217 170 3PY 0.00216 0.01042 -0.00111 0.00610 -0.00181 171 3PZ 0.01563 0.00661 -0.00314 -0.00078 -0.00543 172 4XX -0.00006 0.00106 0.00044 0.00025 -0.00009 173 4YY 0.00001 -0.00215 -0.00075 -0.00102 0.00026 174 4ZZ 0.00008 -0.00036 -0.00040 -0.00018 -0.00013 175 4XY -0.00026 0.00085 0.00081 0.00033 -0.00007 176 4XZ 0.00000 -0.00077 -0.00022 -0.00012 0.00034 177 4YZ -0.00040 -0.00058 0.00009 0.00005 0.00048 178 18 H 1S 0.00319 -0.01330 -0.01201 0.00007 0.00096 179 2S 0.00759 -0.02182 -0.02183 0.00154 0.00100 180 19 H 1S 0.00498 -0.03597 -0.01406 0.01228 0.00018 181 2S 0.00883 -0.03402 -0.02194 0.00356 0.00301 182 20 H 1S 0.22195 0.08992 -0.04233 0.05302 0.09945 183 2S 0.19444 -0.00093 -0.03730 0.04271 0.08522 184 21 H 1S 0.02921 0.09712 -0.00196 -0.11922 0.01316 185 2S 0.02574 0.00569 -0.00796 -0.10059 0.01313 186 22 H 1S 0.03281 -0.04655 0.01096 -0.00527 0.02541 187 2S 0.07608 -0.05109 0.00585 -0.00275 0.03912 188 23 H 1S 0.01615 -0.02532 0.01647 -0.00968 0.01613 189 2S 0.03125 -0.02458 0.01406 -0.02224 0.01919 190 24 H 1S 0.00442 -0.01976 0.00132 0.01152 0.00510 191 2S 0.00235 -0.01276 -0.00168 0.00489 0.00374 192 25 H 1S 0.00099 -0.00248 -0.00019 -0.00087 0.00179 193 2S 0.00109 -0.00336 0.00008 0.00039 0.00162 194 26 H 1S -0.00709 0.02465 -0.00146 0.00445 -0.00812 195 2S -0.01356 0.03902 -0.00444 0.00746 -0.01272 196 27 H 1S 0.00430 -0.01873 0.00236 -0.00494 0.00278 197 2S 0.00915 -0.03228 0.00381 -0.00797 0.00658 91 92 93 94 95 91 4XX 0.00151 92 4YY -0.00069 0.00184 93 4ZZ -0.00032 -0.00045 0.00140 94 4XY 0.00029 0.00001 -0.00034 0.00056 95 4XZ 0.00020 -0.00002 -0.00020 -0.00003 0.00096 96 4YZ -0.00010 -0.00048 0.00062 -0.00008 -0.00039 97 10 C 1S -0.00611 0.00170 0.00248 -0.00322 0.00162 98 2S 0.01130 -0.00378 -0.00563 0.00622 -0.00303 99 2PX -0.00530 0.00493 0.00797 -0.00854 0.00418 100 2PY -0.00866 0.00848 0.00180 0.00636 0.00238 101 2PZ 0.00408 -0.00092 -0.00329 0.00208 0.00781 102 3S 0.01065 -0.00498 -0.00361 0.00602 -0.00220 103 3PX -0.00230 0.00174 0.00238 -0.00318 0.00219 104 3PY -0.00138 0.00154 -0.00017 0.00175 -0.00003 105 3PZ 0.00265 -0.00063 -0.00178 0.00096 0.00531 106 4XX 0.00007 -0.00050 0.00002 -0.00012 0.00010 107 4YY -0.00040 0.00076 -0.00012 0.00001 0.00017 108 4ZZ -0.00051 0.00014 0.00037 -0.00026 -0.00010 109 4XY -0.00021 0.00048 -0.00053 0.00038 -0.00007 110 4XZ 0.00013 0.00003 -0.00023 0.00001 0.00074 111 4YZ -0.00005 -0.00014 0.00016 -0.00008 -0.00024 112 11 C 1S 0.00046 -0.00168 0.00005 -0.00092 -0.00034 113 2S -0.00115 0.00292 -0.00056 0.00177 0.00054 114 2PX 0.00036 -0.00372 0.00113 -0.00228 -0.00006 115 2PY 0.00270 -0.00651 0.00070 -0.00636 -0.00067 116 2PZ -0.00024 0.00088 -0.00132 0.00060 0.00168 117 3S -0.00352 0.00594 -0.00109 0.00170 0.00214 118 3PX 0.00035 -0.00214 0.00076 -0.00084 -0.00037 119 3PY 0.00295 -0.00456 -0.00024 -0.00237 -0.00047 120 3PZ -0.00024 0.00066 -0.00079 0.00030 0.00119 121 4XX 0.00008 -0.00036 0.00005 -0.00021 -0.00004 122 4YY 0.00015 0.00012 -0.00007 0.00030 -0.00004 123 4ZZ -0.00001 -0.00000 0.00004 -0.00016 -0.00000 124 4XY 0.00016 -0.00021 -0.00014 0.00029 -0.00013 125 4XZ 0.00001 -0.00001 0.00002 -0.00003 0.00000 126 4YZ -0.00017 0.00008 0.00006 -0.00007 -0.00025 127 12 H 1S 0.00059 -0.00263 0.00028 -0.00133 -0.00026 128 2S 0.00128 -0.00314 0.00002 -0.00099 -0.00086 129 13 H 1S 0.00046 0.00002 0.00034 -0.00084 -0.00008 130 2S 0.00073 -0.00049 0.00060 -0.00123 0.00072 131 14 H 1S -0.00037 0.00096 -0.00044 -0.00068 0.00021 132 2S -0.00073 0.00008 0.00088 -0.00159 -0.00124 133 15 C 1S -0.00125 0.00109 -0.00076 0.00137 0.00019 134 2S 0.00259 -0.00230 0.00149 -0.00283 -0.00038 135 2PX -0.00551 0.00373 -0.00172 0.00502 0.00341 136 2PY 0.00308 -0.00156 0.00112 -0.00198 -0.00050 137 2PZ 0.00510 -0.00138 -0.00278 -0.00035 0.01123 138 3S 0.00062 -0.00309 0.00329 -0.00289 -0.00042 139 3PX -0.00220 0.00092 0.00066 0.00190 0.00253 140 3PY -0.00019 0.00050 0.00034 -0.00034 -0.00011 141 3PZ 0.00357 -0.00065 -0.00273 0.00003 0.00871 142 4XX 0.00030 -0.00016 -0.00038 0.00026 -0.00017 143 4YY -0.00024 0.00022 0.00018 -0.00004 0.00007 144 4ZZ -0.00012 0.00005 -0.00001 0.00009 0.00009 145 4XY -0.00034 0.00017 -0.00000 0.00004 0.00013 146 4XZ -0.00016 0.00003 0.00012 -0.00005 -0.00012 147 4YZ 0.00015 -0.00004 -0.00006 0.00001 0.00023 148 16 C 1S 0.00027 -0.00016 0.00021 -0.00039 -0.00005 149 2S -0.00063 0.00021 -0.00060 0.00107 0.00009 150 2PX 0.00186 -0.00109 0.00104 -0.00262 -0.00007 151 2PY 0.00029 -0.00026 -0.00001 -0.00052 0.00008 152 2PZ 0.00033 0.00007 -0.00068 0.00067 0.00182 153 3S 0.00109 0.00038 -0.00288 0.00121 -0.00043 154 3PX -0.00036 -0.00045 0.00150 -0.00085 0.00021 155 3PY -0.00001 -0.00025 0.00077 -0.00089 0.00019 156 3PZ 0.00030 -0.00004 -0.00045 0.00029 0.00070 157 4XX -0.00012 0.00003 0.00012 -0.00006 -0.00015 158 4YY 0.00012 -0.00004 0.00002 -0.00010 -0.00006 159 4ZZ 0.00009 -0.00003 -0.00004 0.00001 0.00020 160 4XY -0.00018 0.00009 -0.00005 0.00010 -0.00002 161 4XZ -0.00016 0.00003 0.00013 -0.00001 -0.00054 162 4YZ -0.00009 0.00001 0.00010 -0.00001 -0.00035 163 17 O 1S 0.00006 -0.00008 0.00008 -0.00012 -0.00001 164 2S 0.00002 0.00008 -0.00008 -0.00003 0.00004 165 2PX -0.00191 0.00084 0.00053 0.00051 -0.00057 166 2PY 0.00019 0.00020 -0.00005 0.00063 -0.00048 167 2PZ -0.00151 0.00029 0.00137 -0.00013 -0.00552 168 3S -0.00049 0.00064 -0.00055 0.00119 0.00008 169 3PX -0.00126 0.00057 0.00022 0.00030 -0.00050 170 3PY 0.00034 -0.00000 0.00010 0.00003 -0.00039 171 3PZ -0.00124 0.00029 0.00108 -0.00007 -0.00430 172 4XX 0.00005 -0.00003 0.00000 -0.00003 0.00001 173 4YY 0.00003 -0.00006 0.00004 -0.00011 0.00002 174 4ZZ 0.00002 -0.00002 0.00003 -0.00005 -0.00003 175 4XY 0.00002 -0.00000 -0.00004 0.00004 0.00003 176 4XZ 0.00001 0.00000 -0.00001 -0.00001 0.00005 177 4YZ 0.00006 -0.00002 -0.00004 -0.00001 0.00018 178 18 H 1S 0.00070 -0.00037 0.00038 -0.00072 -0.00024 179 2S 0.00101 -0.00057 0.00101 -0.00162 -0.00029 180 19 H 1S -0.00097 0.00051 0.00051 -0.00069 0.00030 181 2S -0.00268 0.00249 0.00040 0.00013 0.00051 182 20 H 1S -0.00654 -0.00397 0.01087 -0.00401 -0.00777 183 2S -0.00483 -0.00431 0.01105 -0.00335 -0.00752 184 21 H 1S -0.00894 0.01694 -0.00745 -0.00014 -0.00012 185 2S -0.00740 0.01571 -0.00631 0.00018 0.00052 186 22 H 1S -0.00326 -0.00257 0.00894 0.00135 0.00080 187 2S -0.00368 -0.00230 0.00869 0.00115 -0.00287 188 23 H 1S -0.00086 0.00553 -0.00182 -0.00385 0.00077 189 2S -0.00212 0.00750 -0.00321 -0.00260 -0.00089 190 24 H 1S -0.00044 0.00092 -0.00007 0.00030 -0.00086 191 2S -0.00214 0.00239 -0.00002 -0.00026 -0.00106 192 25 H 1S 0.00022 -0.00006 -0.00017 -0.00001 0.00008 193 2S 0.00010 0.00014 -0.00014 -0.00007 -0.00001 194 26 H 1S -0.00089 0.00016 0.00029 -0.00032 0.00003 195 2S -0.00172 0.00028 0.00053 -0.00070 0.00013 196 27 H 1S 0.00037 -0.00001 0.00023 0.00029 -0.00025 197 2S 0.00043 0.00007 0.00049 0.00043 -0.00048 96 97 98 99 100 96 4YZ 0.00074 97 10 C 1S 0.00066 2.05390 98 2S -0.00119 -0.06889 0.34534 99 2PX 0.00158 -0.00322 0.00170 0.42480 100 2PY -0.00142 0.00244 -0.00247 -0.00918 0.42817 101 2PZ 0.00192 0.00045 0.00012 -0.02520 0.00098 102 3S -0.00041 -0.16703 0.26831 0.00479 0.01586 103 3PX 0.00006 0.00926 -0.02367 0.11828 -0.01438 104 3PY -0.00019 -0.00584 0.01540 -0.01486 0.07112 105 3PZ 0.00087 -0.00109 0.00425 0.00739 0.00228 106 4XX 0.00007 -0.01619 -0.00434 -0.00743 -0.00950 107 4YY -0.00018 -0.01613 -0.00428 0.00508 0.01200 108 4ZZ 0.00016 -0.01114 -0.01548 -0.00081 -0.00009 109 4XY -0.00026 0.00020 -0.00104 -0.01392 0.00768 110 4XZ -0.00035 0.00106 -0.00225 0.00257 0.00219 111 4YZ 0.00003 0.00000 0.00016 0.00103 -0.00177 112 11 C 1S 0.00033 0.01231 -0.02251 -0.00989 -0.06558 113 2S -0.00063 -0.02277 0.03880 0.01819 0.12688 114 2PX 0.00058 0.01056 -0.02237 0.00464 -0.03829 115 2PY 0.00206 0.07079 -0.14829 -0.04963 -0.31491 116 2PZ 0.00011 -0.00227 0.00643 0.01070 0.01187 117 3S -0.00163 0.00144 0.00583 0.03335 0.18866 118 3PX 0.00080 0.00143 -0.00231 0.00272 -0.02000 119 3PY 0.00106 0.01683 -0.04418 -0.03483 -0.16738 120 3PZ -0.00037 0.00056 0.00055 0.00447 0.00823 121 4XX 0.00006 0.00222 -0.00518 -0.00424 -0.00813 122 4YY -0.00006 -0.00704 0.01260 0.00445 0.00869 123 4ZZ 0.00006 0.00254 -0.00556 -0.00072 -0.00812 124 4XY -0.00004 -0.00157 0.00305 -0.01024 0.00535 125 4XZ -0.00007 0.00007 -0.00011 0.00012 0.00019 126 4YZ -0.00006 0.00038 -0.00061 0.00042 -0.00080 127 12 H 1S 0.00039 0.00841 -0.02107 -0.01928 -0.02576 128 2S 0.00023 0.00903 -0.02076 -0.04267 -0.04735 129 13 H 1S 0.00009 0.00742 -0.02034 -0.00185 -0.03100 130 2S 0.00029 0.01115 -0.02363 0.00774 -0.05404 131 14 H 1S 0.00035 0.00794 -0.01968 0.00989 -0.03342 132 2S 0.00104 0.01083 -0.02270 0.02067 -0.06161 133 15 C 1S -0.00046 0.01964 -0.03917 -0.06435 0.05575 134 2S 0.00095 -0.03877 0.06827 0.12707 -0.11255 135 2PX -0.00148 0.05953 -0.12036 -0.14339 0.16353 136 2PY 0.00012 -0.05915 0.11895 0.17711 -0.12630 137 2PZ -0.00016 -0.01115 0.02302 0.08115 -0.02899 138 3S 0.00216 -0.00612 0.03108 0.10834 -0.08975 139 3PX -0.00026 0.00883 -0.02685 -0.01171 0.09655 140 3PY 0.00005 -0.00867 0.02813 0.04737 -0.01460 141 3PZ -0.00072 -0.00265 0.00684 0.04378 -0.01754 142 4XX -0.00013 -0.00176 0.00232 -0.01133 -0.00674 143 4YY 0.00003 -0.00085 0.00041 0.00465 0.01159 144 4ZZ 0.00001 0.00199 -0.00443 -0.00495 0.00396 145 4XY -0.00002 0.00539 -0.01062 -0.00741 0.00559 146 4XZ -0.00005 0.00087 -0.00153 0.00017 0.00235 147 4YZ 0.00003 -0.00107 0.00208 0.00277 -0.00112 148 16 C 1S 0.00015 -0.00351 0.00683 0.01389 -0.00276 149 2S -0.00034 0.00790 -0.01620 -0.03323 0.00818 150 2PX 0.00073 -0.01613 0.03809 0.05859 -0.02444 151 2PY 0.00014 0.00346 -0.00492 -0.00134 0.00246 152 2PZ -0.00059 0.00244 -0.00636 -0.00078 0.00356 153 3S -0.00115 0.00442 -0.01064 -0.06258 -0.04883 154 3PX 0.00055 -0.00629 0.01359 0.03999 0.01208 155 3PY 0.00020 -0.00348 0.00392 0.03600 -0.01218 156 3PZ -0.00037 0.00154 -0.00320 -0.00536 -0.00117 157 4XX 0.00001 -0.00095 0.00166 0.00463 -0.00259 158 4YY 0.00003 -0.00033 0.00094 0.00058 -0.00052 159 4ZZ -0.00000 -0.00030 0.00050 0.00121 -0.00016 160 4XY -0.00002 0.00188 -0.00377 -0.00626 0.00502 161 4XZ 0.00003 0.00012 -0.00028 -0.00347 0.00040 162 4YZ 0.00002 -0.00025 0.00046 -0.00065 -0.00070 163 17 O 1S 0.00003 -0.00061 0.00090 0.00221 -0.00183 164 2S -0.00002 0.00044 -0.00028 0.00013 0.00020 165 2PX -0.00024 -0.00246 0.00377 0.00766 0.01280 166 2PY -0.00017 -0.00373 0.00352 0.00456 -0.01333 167 2PZ 0.00015 0.00143 -0.00329 -0.02850 -0.00044 168 3S -0.00019 0.00583 -0.00919 -0.03195 0.02787 169 3PX -0.00023 -0.00112 0.00120 0.00347 0.00265 170 3PY -0.00002 -0.00464 0.00680 0.01273 -0.01561 171 3PZ 0.00018 0.00087 -0.00201 -0.02205 0.00171 172 4XX 0.00000 -0.00019 -0.00000 0.00085 -0.00126 173 4YY 0.00002 -0.00035 0.00076 0.00205 -0.00152 174 4ZZ 0.00000 -0.00040 0.00058 0.00157 -0.00160 175 4XY -0.00000 0.00060 -0.00105 -0.00194 0.00078 176 4XZ 0.00001 -0.00009 0.00023 0.00060 -0.00015 177 4YZ 0.00001 -0.00012 0.00026 0.00116 -0.00021 178 18 H 1S 0.00019 -0.00852 0.01790 0.02570 -0.01953 179 2S 0.00046 -0.01265 0.02604 0.05748 -0.03140 180 19 H 1S 0.00043 0.01282 -0.02905 -0.01757 0.03978 181 2S -0.00005 0.01680 -0.03411 -0.02247 0.09787 182 20 H 1S 0.01051 0.00820 -0.02238 0.03447 -0.00129 183 2S 0.00926 0.01114 -0.02594 0.05848 -0.00939 184 21 H 1S -0.00447 0.00930 -0.02074 0.02279 0.02731 185 2S -0.00497 0.01152 -0.02523 0.04558 0.06716 186 22 H 1S 0.00278 0.00297 -0.01008 0.01812 0.00393 187 2S 0.00446 0.00245 -0.00828 0.01996 -0.00358 188 23 H 1S -0.00576 0.00356 -0.00585 0.01149 -0.00030 189 2S -0.00492 0.00232 -0.00559 0.01544 0.00552 190 24 H 1S -0.00068 -0.00011 0.00024 -0.00279 -0.00255 191 2S -0.00159 0.00295 -0.00476 0.00264 0.00454 192 25 H 1S 0.00005 -0.00034 0.00053 -0.00102 -0.00030 193 2S -0.00015 -0.00022 0.00033 -0.00055 -0.00065 194 26 H 1S -0.00018 0.00121 -0.00203 0.00510 0.00124 195 2S -0.00036 0.00239 -0.00439 0.01146 0.00250 196 27 H 1S 0.00005 -0.00041 0.00055 -0.00258 -0.00064 197 2S 0.00006 -0.00058 0.00051 -0.00400 -0.00098 101 102 103 104 105 101 2PZ 0.29619 102 3S -0.00961 0.25634 103 3PX 0.01143 -0.01841 0.05144 104 3PY 0.00594 0.00368 -0.01039 0.02011 105 3PZ 0.16933 -0.00096 0.01089 0.00283 0.09951 106 4XX 0.00385 -0.00284 -0.00092 -0.00094 0.00175 107 4YY -0.00111 -0.00407 0.00123 0.00129 -0.00031 108 4ZZ -0.00253 -0.01072 0.00035 -0.00069 -0.00178 109 4XY 0.00111 -0.00108 -0.00430 0.00231 -0.00028 110 4XZ 0.00791 -0.00186 0.00188 0.00002 0.00513 111 4YZ -0.00840 -0.00015 -0.00043 -0.00026 -0.00516 112 11 C 1S 0.00162 -0.00106 0.00309 -0.00356 -0.00048 113 2S -0.00358 0.01197 0.00012 0.02248 -0.00063 114 2PX 0.01047 -0.01329 -0.00845 0.00249 0.00117 115 2PY 0.01228 -0.13994 0.00727 -0.05707 0.00109 116 2PZ 0.04816 -0.01666 0.00260 0.00989 0.01675 117 3S -0.00114 -0.01741 -0.00599 0.03231 0.00354 118 3PX 0.00539 -0.00184 -0.01267 0.00505 0.00141 119 3PY 0.01055 -0.04418 -0.00655 -0.02541 0.00339 120 3PZ 0.02657 -0.00990 -0.00115 0.00599 0.01020 121 4XX 0.00091 -0.00502 -0.00086 -0.00104 -0.00015 122 4YY -0.00108 0.01127 -0.00005 0.00174 -0.00019 123 4ZZ 0.00005 -0.00499 0.00080 -0.00208 0.00020 124 4XY 0.00020 0.00325 -0.00381 0.00152 -0.00043 125 4XZ -0.00131 0.00097 -0.00010 -0.00024 -0.00021 126 4YZ -0.00902 -0.00116 -0.00045 -0.00004 -0.00566 127 12 H 1S 0.00594 -0.02538 -0.00678 0.00070 -0.00174 128 2S -0.00128 -0.01429 0.00288 -0.01033 -0.00780 129 13 H 1S -0.00535 -0.01764 0.00690 -0.01255 0.00415 130 2S 0.02437 -0.01649 0.01153 -0.01533 0.02043 131 14 H 1S 0.00135 -0.04090 0.00939 -0.00622 -0.00392 132 2S -0.02697 -0.03517 0.01346 -0.01226 -0.02002 133 15 C 1S 0.01198 -0.00524 -0.00507 0.00619 0.00162 134 2S -0.02432 0.03207 0.02703 -0.01754 -0.00640 135 2PX 0.08229 -0.08069 -0.03142 0.03709 0.03923 136 2PY -0.03166 0.11676 0.04770 -0.01150 -0.00959 137 2PZ 0.28026 0.01028 0.04877 -0.00700 0.17005 138 3S -0.01633 0.00011 -0.00605 -0.00380 -0.00112 139 3PX 0.04178 0.00200 -0.00811 0.01573 0.02480 140 3PY -0.00573 0.01990 0.00649 0.00573 -0.00049 141 3PZ 0.21000 -0.00319 0.03277 -0.00283 0.12755 142 4XX -0.00009 0.00222 -0.00280 -0.00027 -0.00076 143 4YY -0.00097 -0.00163 0.00044 0.00142 -0.00013 144 4ZZ 0.00312 -0.00241 -0.00096 0.00058 0.00155 145 4XY 0.00282 -0.01078 -0.00193 0.00144 0.00124 146 4XZ -0.00637 -0.00058 0.00009 -0.00004 -0.00381 147 4YZ 0.00685 0.00195 0.00129 -0.00019 0.00407 148 16 C 1S -0.00254 0.01745 0.01098 -0.00774 -0.00175 149 2S 0.00625 -0.03051 -0.01834 0.01258 0.00274 150 2PX -0.00466 0.03153 0.00172 -0.01525 0.00151 151 2PY 0.00418 -0.08472 -0.03755 0.03664 0.00779 152 2PZ 0.04416 0.00400 0.02172 -0.00297 0.01924 153 3S 0.01007 -0.01136 -0.00967 -0.00216 0.00096 154 3PX -0.00569 0.02346 -0.00536 -0.00115 -0.00053 155 3PY -0.00652 -0.00365 0.00374 0.00268 -0.00128 156 3PZ 0.01651 -0.00137 0.01109 -0.00200 0.00570 157 4XX -0.00510 0.00449 -0.00097 -0.00064 -0.00282 158 4YY -0.00090 -0.00105 0.00283 -0.00123 -0.00059 159 4ZZ 0.00464 0.00241 0.00132 -0.00065 0.00280 160 4XY -0.00003 -0.00693 -0.00706 0.00306 0.00013 161 4XZ -0.01246 0.00023 -0.00089 -0.00028 -0.00786 162 4YZ -0.00786 0.00181 0.00071 -0.00068 -0.00529 163 17 O 1S -0.00077 0.00089 -0.00130 0.00455 -0.00106 164 2S 0.00090 -0.01145 -0.00373 -0.00422 0.00311 165 2PX -0.02266 0.07648 -0.03829 -0.01059 -0.01372 166 2PY -0.01091 0.06248 0.07896 -0.03959 -0.01413 167 2PZ -0.12097 -0.00807 0.00128 -0.00062 -0.08315 168 3S 0.00826 0.00455 0.01105 -0.01402 0.00357 169 3PX -0.01739 0.04287 -0.03161 -0.00346 -0.01005 170 3PY -0.01003 0.03492 0.04677 -0.02302 -0.00943 171 3PZ -0.09416 -0.00363 -0.00087 -0.00079 -0.06358 172 4XX 0.00006 -0.00209 0.00127 0.00059 0.00009 173 4YY 0.00002 -0.00150 -0.00379 0.00138 0.00053 174 4ZZ -0.00109 0.00132 0.00054 -0.00051 -0.00073 175 4XY 0.00123 -0.00516 -0.00076 0.00175 0.00088 176 4XZ 0.00100 0.00083 -0.00048 -0.00021 0.00092 177 4YZ 0.00379 0.00062 0.00000 -0.00017 0.00278 178 18 H 1S -0.00774 0.04372 0.02927 -0.02308 -0.00572 179 2S -0.01481 0.04584 0.05032 -0.02843 -0.00874 180 19 H 1S 0.00421 -0.05168 -0.00939 0.00076 0.00276 181 2S 0.00324 -0.05273 -0.00884 0.01216 0.00169 182 20 H 1S -0.00414 -0.02595 0.00976 -0.00041 -0.00844 183 2S -0.03775 -0.01711 0.01086 -0.00520 -0.02566 184 21 H 1S -0.00464 -0.04727 0.01140 0.01021 -0.00484 185 2S -0.00668 -0.03937 0.01525 0.01173 -0.00400 186 22 H 1S 0.00983 -0.00285 0.00422 0.00499 0.00539 187 2S -0.01591 0.00187 -0.00084 0.00233 -0.01088 188 23 H 1S 0.00196 -0.02212 0.01415 -0.00519 -0.00251 189 2S 0.00034 -0.02119 0.01290 -0.00270 -0.00307 190 24 H 1S -0.00064 0.00052 -0.00073 -0.00235 -0.00108 191 2S -0.00681 -0.00773 0.00347 -0.00125 -0.00484 192 25 H 1S 0.00024 0.00171 -0.00309 0.00051 0.00018 193 2S -0.00012 0.00035 -0.00180 0.00043 -0.00000 194 26 H 1S -0.00289 -0.01181 0.00762 0.00434 -0.00222 195 2S -0.00453 -0.01998 0.01258 0.00671 -0.00338 196 27 H 1S 0.00151 0.00627 -0.00302 -0.00182 0.00124 197 2S 0.00285 0.01057 -0.00568 -0.00356 0.00197 106 107 108 109 110 106 4XX 0.00132 107 4YY -0.00073 0.00142 108 4ZZ 0.00024 0.00022 0.00089 109 4XY 0.00018 0.00006 0.00004 0.00137 110 4XZ 0.00001 0.00020 -0.00011 -0.00006 0.00073 111 4YZ -0.00011 -0.00001 0.00008 -0.00013 -0.00032 112 11 C 1S 0.00256 -0.00689 0.00157 -0.00184 -0.00028 113 2S -0.00567 0.01160 -0.00325 0.00353 0.00056 114 2PX 0.00573 -0.00384 0.00023 0.01234 -0.00081 115 2PY 0.00986 -0.00565 0.00594 -0.00445 -0.00094 116 2PZ -0.00111 0.00128 -0.00067 0.00036 -0.00025 117 3S -0.00776 0.01487 -0.00209 0.00494 0.00188 118 3PX 0.00288 -0.00227 -0.00008 0.00651 -0.00091 119 3PY 0.00611 -0.00442 0.00170 -0.00156 -0.00075 120 3PZ -0.00023 0.00065 -0.00036 0.00063 0.00034 121 4XX 0.00053 -0.00025 0.00018 0.00055 -0.00008 122 4YY -0.00038 -0.00004 -0.00048 -0.00014 -0.00003 123 4ZZ 0.00009 0.00005 0.00025 -0.00054 0.00004 124 4XY 0.00016 -0.00015 -0.00011 0.00074 -0.00009 125 4XZ 0.00007 -0.00006 -0.00000 0.00010 0.00009 126 4YZ -0.00015 0.00007 0.00011 -0.00003 -0.00032 127 12 H 1S 0.00312 0.00075 -0.00011 0.00856 -0.00066 128 2S 0.00324 -0.00174 0.00044 0.00544 -0.00075 129 13 H 1S -0.00019 0.00289 0.00038 -0.00332 0.00112 130 2S 0.00128 -0.00018 0.00067 -0.00380 0.00175 131 14 H 1S -0.00192 0.00438 0.00043 -0.00441 -0.00061 132 2S -0.00105 0.00113 0.00137 -0.00524 -0.00199 133 15 C 1S -0.00132 -0.00090 0.00197 0.00577 0.00082 134 2S 0.00174 0.00011 -0.00425 -0.01146 -0.00149 135 2PX 0.01033 -0.00338 0.00408 0.00820 0.00135 136 2PY 0.00611 -0.01270 -0.00426 -0.00527 -0.00252 137 2PZ 0.00167 0.00056 -0.00463 -0.00397 0.01207 138 3S 0.00373 -0.00109 -0.00228 -0.01005 -0.00197 139 3PX 0.00332 -0.00087 0.00053 0.00176 0.00147 140 3PY 0.00165 -0.00362 -0.00082 -0.00030 -0.00077 141 3PZ 0.00215 0.00006 -0.00310 -0.00211 0.00912 142 4XX 0.00069 -0.00073 -0.00005 0.00041 -0.00019 143 4YY -0.00090 0.00107 -0.00007 -0.00011 0.00019 144 4ZZ 0.00003 -0.00007 0.00025 0.00042 0.00010 145 4XY 0.00016 0.00031 0.00039 0.00026 0.00012 146 4XZ -0.00017 0.00014 0.00010 0.00001 -0.00006 147 4YZ 0.00007 -0.00008 -0.00016 -0.00008 0.00023 148 16 C 1S -0.00202 0.00165 -0.00040 -0.00089 0.00032 149 2S 0.00463 -0.00326 0.00074 0.00152 -0.00081 150 2PX -0.01017 0.00542 -0.00076 -0.00026 0.00272 151 2PY -0.00010 0.00086 0.00032 0.00017 0.00028 152 2PZ 0.00314 -0.00107 -0.00119 -0.00107 0.00335 153 3S 0.00546 -0.00494 0.00055 0.00300 -0.00103 154 3PX -0.00209 0.00112 -0.00036 -0.00068 0.00062 155 3PY 0.00021 -0.00030 -0.00024 -0.00141 0.00000 156 3PZ 0.00106 -0.00021 -0.00056 -0.00042 0.00179 157 4XX 0.00038 -0.00028 -0.00006 -0.00029 -0.00029 158 4YY -0.00069 0.00044 -0.00001 -0.00003 0.00013 159 4ZZ -0.00001 0.00001 -0.00008 -0.00006 0.00018 160 4XY 0.00013 0.00026 0.00016 0.00019 -0.00003 161 4XZ -0.00025 0.00007 0.00017 0.00015 -0.00046 162 4YZ -0.00004 -0.00006 0.00004 0.00001 -0.00023 163 17 O 1S 0.00027 -0.00021 -0.00005 0.00030 -0.00009 164 2S -0.00076 0.00037 0.00020 -0.00057 0.00027 165 2PX 0.00333 -0.00246 0.00020 0.00071 -0.00127 166 2PY 0.00042 -0.00096 -0.00082 -0.00233 -0.00048 167 2PZ -0.00111 0.00060 0.00083 0.00038 -0.00266 168 3S -0.00095 0.00139 0.00023 -0.00035 0.00037 169 3PX 0.00301 -0.00224 0.00024 0.00063 -0.00114 170 3PY -0.00029 -0.00055 -0.00055 -0.00156 -0.00027 171 3PZ -0.00110 0.00054 0.00076 0.00044 -0.00248 172 4XX 0.00008 -0.00007 -0.00001 -0.00004 -0.00003 173 4YY -0.00007 -0.00002 0.00003 0.00007 0.00002 174 4ZZ 0.00000 -0.00005 -0.00002 -0.00010 0.00000 175 4XY 0.00006 -0.00002 0.00005 0.00001 0.00001 176 4XZ -0.00004 0.00000 0.00001 -0.00002 -0.00002 177 4YZ -0.00001 -0.00000 -0.00001 0.00001 0.00002 178 18 H 1S -0.00282 0.00039 -0.00046 -0.00050 0.00045 179 2S -0.00479 0.00152 -0.00088 -0.00227 0.00073 180 19 H 1S -0.00582 0.00970 0.00025 -0.00233 0.00146 181 2S -0.00721 0.01009 0.00085 0.00086 0.00181 182 20 H 1S 0.00243 -0.00258 0.00284 -0.00315 -0.00719 183 2S -0.00077 -0.00127 0.00338 -0.00476 -0.00680 184 21 H 1S -0.00162 0.00543 0.00025 0.00711 -0.00039 185 2S -0.00466 0.00712 0.00067 0.00467 0.00060 186 22 H 1S -0.00110 -0.00060 0.00139 -0.00074 -0.00022 187 2S -0.00190 -0.00052 0.00186 -0.00130 -0.00242 188 23 H 1S -0.00054 0.00092 0.00046 0.00034 0.00016 189 2S -0.00147 0.00188 0.00043 0.00048 -0.00012 190 24 H 1S 0.00033 -0.00028 0.00001 -0.00017 0.00006 191 2S 0.00029 0.00009 0.00020 0.00019 0.00024 192 25 H 1S -0.00006 -0.00001 -0.00005 0.00010 -0.00009 193 2S -0.00000 -0.00002 -0.00002 0.00003 -0.00004 194 26 H 1S 0.00024 0.00001 -0.00004 -0.00024 0.00038 195 2S 0.00046 0.00004 -0.00010 -0.00049 0.00075 196 27 H 1S -0.00013 -0.00005 0.00013 0.00005 -0.00011 197 2S -0.00025 -0.00010 0.00022 0.00013 -0.00022 111 112 113 114 115 111 4YZ 0.00076 112 11 C 1S 0.00040 2.05079 113 2S -0.00073 -0.05207 0.29768 114 2PX -0.00001 -0.00489 0.01048 0.42779 115 2PY 0.00124 -0.00410 0.00770 0.00168 0.37906 116 2PZ 0.01236 -0.00014 0.00094 -0.00165 -0.00077 117 3S -0.00128 -0.18872 0.29053 0.02255 -0.04002 118 3PX 0.00022 -0.00217 0.00661 0.22170 -0.00160 119 3PY 0.00050 -0.00132 0.00865 0.02011 0.18943 120 3PZ 0.00543 -0.00134 0.00347 0.01017 -0.00068 121 4XX 0.00015 -0.01923 0.00140 0.01899 0.00996 122 4YY 0.00005 -0.01637 -0.00484 -0.00457 -0.01637 123 4ZZ -0.00017 -0.01863 0.00005 -0.01373 0.01229 124 4XY -0.00006 0.00028 -0.00039 0.01188 -0.00644 125 4XZ -0.00060 0.00005 -0.00011 0.00364 -0.00128 126 4YZ 0.00078 -0.00004 0.00015 -0.00141 0.00129 127 12 H 1S 0.00048 -0.05540 0.10765 0.26136 0.06159 128 2S 0.00088 -0.00451 0.02050 0.17065 0.04829 129 13 H 1S -0.00777 -0.05217 0.09958 -0.09665 0.09390 130 2S -0.00740 -0.00614 0.02214 -0.07815 0.07610 131 14 H 1S 0.00694 -0.05230 0.10055 -0.13656 0.11292 132 2S 0.00735 -0.00562 0.02147 -0.12067 0.09473 133 15 C 1S -0.00111 -0.00356 0.00749 0.00278 -0.01593 134 2S 0.00220 0.00763 -0.01652 -0.00995 0.03863 135 2PX -0.00381 -0.00661 0.01495 0.00798 -0.02695 136 2PY 0.00105 0.01326 -0.02836 -0.01046 0.04761 137 2PZ -0.01109 0.00108 -0.00333 -0.01273 0.00538 138 3S 0.00241 0.00441 -0.00872 0.00809 0.05539 139 3PX -0.00215 -0.00802 0.01154 0.01231 -0.05111 140 3PY 0.00024 0.00273 -0.00763 -0.00432 -0.00011 141 3PZ -0.00872 0.00100 -0.00214 -0.01060 0.00944 142 4XX -0.00001 0.00145 -0.00243 0.00030 0.00663 143 4YY 0.00001 -0.00213 0.00407 0.00062 -0.01191 144 4ZZ -0.00014 -0.00023 0.00029 -0.00040 0.00013 145 4XY -0.00010 -0.00019 0.00029 0.00022 0.00136 146 4XZ 0.00015 -0.00032 0.00056 -0.00064 -0.00146 147 4YZ -0.00019 0.00001 -0.00004 0.00044 -0.00011 148 16 C 1S 0.00019 -0.00134 0.00282 0.00054 -0.00698 149 2S -0.00034 0.00250 -0.00616 -0.00151 0.01501 150 2PX -0.00048 -0.00661 0.01280 0.01015 -0.02585 151 2PY -0.00033 -0.00091 -0.00145 -0.00199 0.00055 152 2PZ -0.00308 0.00241 -0.00327 -0.01216 0.00462 153 3S -0.00057 0.00739 -0.01182 0.00456 0.06162 154 3PX -0.00000 -0.00633 0.01044 0.01762 -0.02052 155 3PY 0.00012 0.00006 -0.00020 0.00684 0.00506 156 3PZ -0.00143 0.00180 -0.00247 -0.01015 0.00331 157 4XX 0.00022 -0.00018 0.00040 0.00216 0.00236 158 4YY 0.00001 -0.00002 -0.00039 -0.00260 -0.00255 159 4ZZ -0.00016 -0.00013 0.00011 -0.00009 -0.00008 160 4XY -0.00000 -0.00073 0.00151 0.00184 -0.00064 161 4XZ 0.00046 0.00010 -0.00011 -0.00026 -0.00059 162 4YZ 0.00026 0.00018 -0.00019 0.00017 0.00015 163 17 O 1S -0.00005 -0.00127 0.00245 0.00852 0.00193 164 2S 0.00002 0.00343 -0.00692 -0.02010 -0.00278 165 2PX 0.00066 -0.00719 0.01932 0.04562 0.01131 166 2PY 0.00074 0.00940 -0.01687 -0.03833 -0.00090 167 2PZ 0.00331 0.00210 -0.00245 -0.00599 -0.00288 168 3S -0.00004 0.00351 -0.00627 -0.04021 -0.01891 169 3PX 0.00055 -0.00398 0.01136 0.03481 0.01477 170 3PY 0.00049 0.00489 -0.01033 -0.02307 0.00128 171 3PZ 0.00288 0.00083 -0.00090 -0.00286 -0.00385 172 4XX 0.00001 0.00025 -0.00058 -0.00009 0.00066 173 4YY -0.00001 -0.00023 0.00055 0.00251 0.00105 174 4ZZ 0.00003 0.00027 -0.00058 -0.00043 0.00073 175 4XY -0.00003 0.00062 -0.00128 -0.00300 -0.00024 176 4XZ -0.00001 0.00006 -0.00009 -0.00031 0.00003 177 4YZ -0.00005 -0.00022 0.00027 0.00098 0.00011 178 18 H 1S 0.00017 0.00142 -0.00255 -0.00747 -0.00459 179 2S 0.00050 0.00358 -0.00655 -0.02061 -0.00982 180 19 H 1S 0.00032 -0.00818 0.01616 0.00188 -0.03824 181 2S -0.00021 -0.01242 0.02383 0.00319 -0.08323 182 20 H 1S 0.00052 0.00452 -0.00896 0.00940 0.01172 183 2S 0.00233 0.00220 -0.00507 -0.00036 0.01694 184 21 H 1S -0.00164 -0.00743 0.01568 -0.01233 -0.03028 185 2S -0.00117 -0.01075 0.02248 -0.02985 -0.06062 186 22 H 1S 0.00004 0.00061 0.00034 -0.00063 0.00056 187 2S 0.00103 0.00053 0.00007 -0.00282 0.00505 188 23 H 1S -0.00053 0.00176 -0.00448 0.00778 -0.00540 189 2S -0.00078 -0.00216 0.00355 -0.01455 -0.00701 190 24 H 1S -0.00003 0.00128 -0.00288 0.00436 0.00140 191 2S 0.00004 0.00099 -0.00238 0.00479 -0.00427 192 25 H 1S -0.00000 -0.00012 0.00015 -0.00036 0.00013 193 2S -0.00002 0.00014 -0.00022 0.00051 0.00030 194 26 H 1S 0.00003 0.00002 0.00010 -0.00013 -0.00024 195 2S 0.00006 0.00001 0.00014 -0.00041 -0.00069 196 27 H 1S -0.00003 0.00016 -0.00026 0.00046 0.00026 197 2S -0.00006 0.00023 -0.00048 0.00086 0.00042 116 117 118 119 120 116 2PZ 0.39858 117 3S -0.00125 0.32294 118 3PX 0.00337 0.01674 0.12029 119 3PY -0.00240 -0.01735 0.01360 0.10426 120 3PZ 0.18320 0.00608 0.00812 0.00098 0.08669 121 4XX 0.00349 0.00173 0.00963 0.00565 0.00204 122 4YY 0.00185 -0.00285 -0.00198 -0.00764 0.00070 123 4ZZ -0.00559 -0.00016 -0.00724 0.00539 -0.00287 124 4XY -0.00146 0.00052 0.00627 -0.00220 -0.00029 125 4XZ -0.01808 0.00052 0.00171 -0.00032 -0.00809 126 4YZ 0.01353 -0.00026 -0.00059 0.00033 0.00604 127 12 H 1S 0.01319 0.10365 0.13350 0.04214 0.01245 128 2S 0.01367 0.00215 0.07756 0.02333 0.00604 129 13 H 1S -0.22578 0.08723 -0.05274 0.04517 -0.10491 130 2S -0.19088 0.01138 -0.04321 0.03580 -0.08845 131 14 H 1S 0.19724 0.08048 -0.06910 0.04977 0.08737 132 2S 0.17360 -0.00099 -0.06222 0.03799 0.07379 133 15 C 1S -0.00046 0.00807 -0.00062 -0.01135 -0.00132 134 2S 0.00051 -0.02231 -0.00333 0.02671 0.00211 135 2PX -0.00779 0.03316 0.00304 -0.00416 0.00536 136 2PY 0.00101 -0.08181 0.00251 0.05011 -0.00103 137 2PZ -0.03593 -0.00054 -0.01291 0.00321 -0.01010 138 3S 0.01174 0.00986 0.02263 0.05201 0.01689 139 3PX -0.01278 0.02960 0.00878 -0.01538 0.00139 140 3PY 0.00772 -0.01547 0.00443 0.00871 0.00397 141 3PZ -0.03865 0.00078 -0.00985 0.00528 -0.01371 142 4XX -0.00043 -0.00536 0.00018 0.00456 -0.00014 143 4YY 0.00004 0.00796 0.00011 -0.00761 -0.00004 144 4ZZ 0.00013 0.00050 -0.00015 -0.00016 -0.00004 145 4XY 0.00014 0.00270 0.00003 -0.00024 0.00037 146 4XZ -0.00097 0.00077 -0.00074 -0.00116 -0.00027 147 4YZ 0.00143 -0.00043 0.00017 0.00027 0.00084 148 16 C 1S 0.00015 0.00320 -0.00266 -0.00638 -0.00081 149 2S -0.00020 -0.00201 0.00632 0.01431 0.00277 150 2PX -0.00354 0.03177 0.01025 -0.01983 0.00038 151 2PY -0.00133 0.02442 0.01983 0.00713 0.00484 152 2PZ -0.01879 -0.01792 -0.02244 0.00188 0.00301 153 3S -0.00277 -0.02927 0.00250 0.03628 -0.00134 154 3PX -0.00179 0.02757 0.01642 -0.00159 0.00606 155 3PY -0.00423 0.00220 0.00720 0.00661 0.00026 156 3PZ -0.00882 -0.01149 -0.01482 -0.00095 0.00155 157 4XX 0.00025 0.00127 0.00210 0.00377 0.00136 158 4YY 0.00008 -0.00239 -0.00319 -0.00460 -0.00148 159 4ZZ -0.00050 -0.00017 -0.00031 0.00014 -0.00031 160 4XY 0.00005 0.00681 0.00331 0.00168 0.00176 161 4XZ 0.00155 -0.00131 -0.00072 -0.00113 0.00039 162 4YZ 0.00133 -0.00191 -0.00096 -0.00025 0.00099 163 17 O 1S -0.00058 0.00669 0.00881 0.00662 0.00243 164 2S 0.00094 -0.01334 -0.01617 -0.01107 -0.00407 165 2PX -0.00012 0.05172 0.04015 0.04692 0.02493 166 2PY 0.00364 -0.08719 -0.06563 -0.03460 -0.01944 167 2PZ 0.01212 -0.02266 -0.02004 -0.01023 0.01597 168 3S 0.00403 -0.02769 -0.04205 -0.03110 -0.00880 169 3PX 0.00037 0.03537 0.03243 0.03816 0.01823 170 3PY 0.00098 -0.05169 -0.03748 -0.01997 -0.01242 171 3PZ 0.01265 -0.01465 -0.01257 -0.00840 0.01166 172 4XX -0.00013 -0.00173 -0.00025 -0.00030 -0.00068 173 4YY -0.00003 0.00428 0.00399 0.00269 0.00121 174 4ZZ 0.00011 -0.00087 -0.00035 0.00062 0.00038 175 4XY 0.00028 -0.00115 -0.00110 -0.00080 -0.00041 176 4XZ -0.00028 0.00062 0.00042 0.00031 -0.00041 177 4YZ 0.00024 0.00093 0.00122 0.00023 -0.00068 178 18 H 1S 0.00076 -0.02050 -0.01599 -0.01468 -0.00675 179 2S 0.00130 -0.03575 -0.02974 -0.02754 -0.01224 180 19 H 1S 0.00018 0.05091 -0.00276 -0.03588 0.00065 181 2S 0.00230 0.06223 -0.00230 -0.06171 0.00019 182 20 H 1S -0.01491 -0.02203 0.00899 0.00086 -0.01299 183 2S 0.00109 -0.01816 0.00423 0.00187 -0.00518 184 21 H 1S 0.00566 0.03857 -0.00638 -0.02438 0.00485 185 2S 0.01373 0.05099 -0.01753 -0.04274 0.00879 186 22 H 1S 0.00135 -0.00891 0.00573 -0.00057 0.00250 187 2S 0.00013 -0.01067 0.00572 0.00085 -0.00002 188 23 H 1S 0.00876 -0.00210 -0.00577 -0.01065 0.00783 189 2S 0.00387 0.00713 -0.01530 -0.01162 0.00426 190 24 H 1S 0.00209 -0.00619 -0.00006 -0.00092 0.00193 191 2S 0.00421 -0.00346 -0.00077 -0.00549 0.00348 192 25 H 1S -0.00027 0.00071 0.00050 0.00041 -0.00034 193 2S -0.00009 0.00003 0.00044 0.00028 -0.00006 194 26 H 1S 0.00034 -0.00120 -0.00115 0.00055 0.00002 195 2S 0.00071 -0.00145 -0.00216 0.00025 0.00023 196 27 H 1S 0.00023 -0.00106 0.00096 -0.00027 0.00068 197 2S 0.00054 -0.00122 0.00170 -0.00074 0.00140 121 122 123 124 125 121 4XX 0.00135 122 4YY -0.00051 0.00116 123 4ZZ -0.00018 -0.00028 0.00111 124 4XY 0.00043 0.00011 -0.00061 0.00077 125 4XZ -0.00004 -0.00006 0.00010 0.00018 0.00087 126 4YZ 0.00011 0.00003 -0.00013 -0.00011 -0.00066 127 12 H 1S 0.01415 -0.00671 -0.00638 0.00648 0.00123 128 2S 0.00972 -0.00445 -0.00445 0.00468 0.00033 129 13 H 1S -0.00342 -0.00522 0.00981 -0.00401 0.00916 130 2S -0.00335 -0.00355 0.00789 -0.00350 0.00793 131 14 H 1S -0.00083 -0.00361 0.00565 -0.00701 -0.01060 132 2S -0.00130 -0.00203 0.00445 -0.00643 -0.00950 133 15 C 1S 0.00039 -0.00075 -0.00056 0.00164 0.00002 134 2S -0.00065 0.00134 0.00136 -0.00334 -0.00015 135 2PX 0.00105 -0.00278 -0.00069 0.00431 0.00076 136 2PY -0.00138 0.00423 0.00106 -0.00629 -0.00031 137 2PZ -0.00185 0.00020 0.00186 -0.00292 0.00280 138 3S 0.00025 0.00017 0.00158 -0.00215 -0.00020 139 3PX -0.00089 0.00115 -0.00144 0.00209 0.00122 140 3PY -0.00072 0.00157 -0.00017 -0.00166 -0.00037 141 3PZ -0.00123 -0.00047 0.00172 -0.00194 0.00258 142 4XX 0.00024 -0.00017 0.00013 0.00015 -0.00001 143 4YY -0.00025 0.00029 -0.00035 0.00016 0.00005 144 4ZZ 0.00002 -0.00013 0.00004 0.00007 -0.00001 145 4XY 0.00015 -0.00039 0.00007 0.00015 -0.00000 146 4XZ -0.00005 0.00002 -0.00002 0.00001 0.00004 147 4YZ -0.00001 0.00007 -0.00002 -0.00007 -0.00003 148 16 C 1S -0.00041 0.00030 -0.00021 0.00002 0.00004 149 2S 0.00071 -0.00086 0.00022 0.00033 -0.00007 150 2PX -0.00106 0.00169 -0.00063 -0.00065 0.00071 151 2PY 0.00006 -0.00051 -0.00036 -0.00056 0.00016 152 2PZ -0.00033 -0.00008 0.00078 -0.00044 0.00121 153 3S 0.00226 -0.00251 0.00145 0.00012 -0.00014 154 3PX -0.00049 0.00136 -0.00078 0.00043 0.00068 155 3PY 0.00003 0.00017 -0.00000 -0.00078 0.00033 156 3PZ -0.00019 -0.00013 0.00048 -0.00033 0.00051 157 4XX 0.00003 0.00008 0.00004 0.00003 0.00004 158 4YY -0.00009 0.00004 -0.00003 -0.00015 -0.00008 159 4ZZ -0.00005 0.00002 0.00004 -0.00001 0.00004 160 4XY 0.00005 -0.00011 -0.00005 0.00031 0.00008 161 4XZ 0.00006 0.00001 -0.00008 0.00009 -0.00013 162 4YZ 0.00006 0.00004 -0.00005 0.00002 -0.00008 163 17 O 1S 0.00046 -0.00024 -0.00013 0.00033 0.00017 164 2S -0.00102 0.00050 0.00039 -0.00103 -0.00036 165 2PX 0.00040 0.00111 0.00008 0.00306 0.00150 166 2PY -0.00079 0.00037 0.00079 -0.00196 -0.00143 167 2PZ 0.00084 0.00019 -0.00072 0.00045 -0.00083 168 3S -0.00178 0.00067 0.00052 -0.00052 -0.00087 169 3PX 0.00060 0.00049 0.00008 0.00206 0.00103 170 3PY -0.00052 0.00032 0.00051 -0.00157 -0.00082 171 3PZ 0.00065 0.00018 -0.00066 0.00047 -0.00084 172 4XX 0.00006 -0.00006 -0.00002 -0.00009 -0.00003 173 4YY 0.00005 0.00000 -0.00002 0.00005 0.00008 174 4ZZ -0.00002 0.00003 0.00004 -0.00005 0.00000 175 4XY -0.00007 -0.00004 0.00004 -0.00010 -0.00007 176 4XZ -0.00005 0.00002 0.00003 -0.00001 0.00001 177 4YZ 0.00001 -0.00002 -0.00001 -0.00000 -0.00001 178 18 H 1S -0.00047 0.00076 0.00014 -0.00099 -0.00028 179 2S -0.00114 0.00120 0.00025 -0.00241 -0.00062 180 19 H 1S -0.00030 -0.00082 -0.00081 0.00185 0.00019 181 2S -0.00115 0.00043 -0.00230 0.00243 0.00019 182 20 H 1S 0.00068 -0.00045 0.00037 -0.00058 -0.00021 183 2S 0.00032 -0.00043 0.00069 -0.00150 -0.00101 184 21 H 1S -0.00185 0.00032 0.00014 -0.00175 0.00007 185 2S -0.00322 0.00136 -0.00035 -0.00188 -0.00027 186 22 H 1S -0.00021 0.00009 0.00052 -0.00046 -0.00017 187 2S -0.00023 0.00005 0.00065 -0.00060 -0.00042 188 23 H 1S 0.00088 -0.00026 -0.00072 0.00010 0.00020 189 2S -0.00038 -0.00010 0.00015 -0.00078 0.00016 190 24 H 1S 0.00057 -0.00018 -0.00029 0.00024 0.00010 191 2S 0.00053 -0.00011 -0.00049 0.00016 0.00012 192 25 H 1S -0.00006 -0.00001 -0.00000 -0.00002 -0.00001 193 2S 0.00005 -0.00005 -0.00005 0.00001 0.00003 194 26 H 1S 0.00005 -0.00002 0.00000 -0.00011 0.00001 195 2S 0.00004 -0.00003 -0.00001 -0.00029 0.00003 196 27 H 1S 0.00005 -0.00001 0.00002 0.00009 0.00001 197 2S 0.00008 -0.00003 0.00002 0.00013 0.00001 126 127 128 129 130 126 4YZ 0.00086 127 12 H 1S 0.00001 0.20669 128 2S 0.00048 0.12576 0.10782 129 13 H 1S -0.00784 -0.01861 -0.03190 0.21030 130 2S -0.00772 -0.03639 -0.03105 0.15750 0.13330 131 14 H 1S 0.00834 -0.02384 -0.02760 -0.01909 -0.04141 132 2S 0.00835 -0.04413 -0.02374 -0.04303 -0.04651 133 15 C 1S -0.00033 0.00555 0.00998 -0.00250 -0.00446 134 2S 0.00066 -0.01316 -0.01915 0.00744 0.01066 135 2PX -0.00315 0.00675 -0.00740 0.00313 0.00277 136 2PY 0.00116 -0.02022 -0.02367 0.00728 0.01873 137 2PZ -0.01191 -0.01561 -0.01563 0.04994 0.07471 138 3S 0.00086 -0.00661 -0.05430 0.00351 0.00540 139 3PX -0.00233 -0.00226 -0.01925 -0.00100 0.00072 140 3PY 0.00049 -0.00929 -0.01747 -0.00474 -0.00022 141 3PZ -0.00934 -0.01111 -0.01199 0.04548 0.06209 142 4XX 0.00004 0.00085 0.00188 0.00061 0.00074 143 4YY -0.00003 0.00008 -0.00068 -0.00162 -0.00231 144 4ZZ -0.00009 0.00003 0.00017 0.00026 0.00032 145 4XY -0.00007 0.00080 0.00018 0.00027 0.00008 146 4XZ 0.00020 -0.00028 0.00035 0.00003 -0.00068 147 4YZ -0.00021 0.00005 -0.00014 -0.00032 0.00055 148 16 C 1S -0.00002 0.00011 0.00441 -0.00080 -0.00141 149 2S -0.00003 -0.00129 -0.01366 0.00168 0.00274 150 2PX -0.00011 0.00229 -0.00813 -0.00019 -0.00082 151 2PY -0.00004 -0.00344 -0.04129 0.00170 0.00264 152 2PZ -0.00208 -0.00574 0.01475 0.01695 0.02141 153 3S 0.00001 0.01091 0.01301 0.01055 0.01103 154 3PX -0.00007 0.00281 -0.02059 -0.00357 -0.00418 155 3PY 0.00003 0.00151 -0.00930 0.00263 0.00321 156 3PZ -0.00076 -0.00387 0.01083 0.00845 0.01024 157 4XX 0.00019 0.00031 -0.00323 -0.00023 -0.00065 158 4YY 0.00004 -0.00047 0.00492 -0.00026 -0.00019 159 4ZZ -0.00021 -0.00028 -0.00003 0.00075 0.00108 160 4XY 0.00001 0.00051 -0.00554 -0.00027 -0.00086 161 4XZ 0.00054 0.00052 0.00245 -0.00219 -0.00317 162 4YZ 0.00036 0.00055 0.00244 -0.00155 -0.00196 163 17 O 1S 0.00003 0.00380 -0.00936 -0.00024 -0.00064 164 2S 0.00002 -0.01008 0.01209 0.00103 0.00266 165 2PX 0.00066 0.01090 -0.05179 -0.00281 -0.00863 166 2PY 0.00049 -0.00844 0.09708 -0.00112 0.00166 167 2PZ 0.00547 0.00577 0.03569 -0.01871 -0.02588 168 3S -0.00019 -0.01706 0.04046 -0.00062 0.00002 169 3PX 0.00059 0.00937 -0.03987 -0.00210 -0.00578 170 3PY 0.00039 -0.00526 0.05538 0.00055 0.00226 171 3PZ 0.00431 0.00507 0.02564 -0.01684 -0.02274 172 4XX -0.00000 0.00036 0.00123 0.00008 0.00026 173 4YY -0.00000 0.00042 -0.00574 0.00002 -0.00000 174 4ZZ 0.00005 -0.00053 -0.00036 -0.00002 0.00009 175 4XY -0.00002 -0.00174 -0.00115 0.00011 0.00041 176 4XZ -0.00006 -0.00058 -0.00140 0.00033 0.00034 177 4YZ -0.00016 0.00038 -0.00076 0.00012 0.00032 178 18 H 1S 0.00026 -0.00202 0.02772 -0.00056 0.00045 179 2S 0.00049 -0.00795 0.04122 -0.00015 0.00205 180 19 H 1S -0.00038 0.00423 0.00309 -0.00489 -0.01024 181 2S -0.00036 0.00254 0.00321 -0.01477 -0.01976 182 20 H 1S -0.00027 0.00308 0.00329 0.00470 0.00659 183 2S 0.00157 -0.00042 0.00097 -0.00139 -0.00121 184 21 H 1S 0.00070 -0.01046 -0.01840 -0.00059 -0.00324 185 2S 0.00090 -0.02287 -0.02660 -0.00551 -0.00796 186 22 H 1S -0.00028 -0.00170 -0.00541 0.00103 0.00870 187 2S 0.00068 -0.00195 -0.00453 0.00070 0.00459 188 23 H 1S 0.00050 0.00367 0.00945 -0.00702 0.00119 189 2S 0.00042 -0.00819 -0.00216 0.00323 0.00634 190 24 H 1S 0.00018 0.00288 0.00563 -0.00222 0.00102 191 2S 0.00050 0.00242 0.00523 -0.00461 -0.00097 192 25 H 1S -0.00002 -0.00017 -0.00048 0.00025 -0.00050 193 2S 0.00001 0.00040 0.00038 0.00002 -0.00035 194 26 H 1S 0.00010 -0.00022 -0.00007 -0.00027 -0.00099 195 2S 0.00015 -0.00065 -0.00027 -0.00042 -0.00133 196 27 H 1S -0.00002 0.00035 0.00024 -0.00002 0.00151 197 2S -0.00003 0.00061 0.00034 -0.00011 0.00265 131 132 133 134 135 131 14 H 1S 0.21196 132 2S 0.16513 0.14789 133 15 C 1S -0.00533 -0.00690 2.05351 134 2S 0.01346 0.01651 -0.06309 0.32424 135 2PX -0.02141 -0.04287 0.00166 -0.00041 0.40895 136 2PY 0.01741 0.03454 0.00039 0.00322 -0.00654 137 2PZ -0.03165 -0.05577 -0.00018 0.00004 -0.01161 138 3S 0.01797 0.00822 -0.18492 0.29635 0.05090 139 3PX -0.02688 -0.03797 -0.00995 0.01945 0.16014 140 3PY 0.00503 0.00904 0.00504 -0.02356 0.00976 141 3PZ -0.02811 -0.04627 0.00177 -0.00345 0.01792 142 4XX 0.00055 0.00077 -0.01711 -0.00307 0.00981 143 4YY -0.00217 -0.00267 -0.02013 0.00179 -0.01014 144 4ZZ 0.00001 -0.00029 -0.01181 -0.01504 0.00142 145 4XY 0.00002 -0.00093 -0.00077 0.00077 0.01049 146 4XZ -0.00008 0.00024 0.00121 -0.00264 -0.00285 147 4YZ 0.00012 -0.00048 0.00019 -0.00027 -0.00018 148 16 C 1S -0.00079 -0.00033 0.01485 -0.02865 -0.07239 149 2S 0.00145 -0.00067 -0.03060 0.05544 0.15571 150 2PX -0.00569 -0.00516 0.07168 -0.14503 -0.28662 151 2PY -0.00033 -0.00534 0.00466 -0.01201 -0.03151 152 2PZ -0.00874 -0.01883 -0.01242 0.02655 0.07065 153 3S 0.00967 0.01004 0.00574 0.01000 0.11966 154 3PX -0.00875 -0.01431 0.00038 -0.01103 -0.04796 155 3PY -0.00161 -0.00169 -0.00280 0.01233 -0.01905 156 3PZ -0.00223 -0.00645 0.00016 0.00202 0.01880 157 4XX 0.00045 -0.00042 -0.00810 0.01432 0.00948 158 4YY 0.00041 0.00211 0.00449 -0.00993 -0.01803 159 4ZZ -0.00056 -0.00095 0.00097 -0.00236 -0.00243 160 4XY -0.00076 -0.00308 -0.00379 0.00655 0.00852 161 4XZ 0.00156 0.00290 0.00205 -0.00374 -0.00559 162 4YZ 0.00120 0.00177 0.00041 -0.00056 -0.00151 163 17 O 1S -0.00166 -0.00347 -0.00148 0.00347 0.00547 164 2S 0.00410 0.00763 0.00415 -0.00868 -0.01936 165 2PX -0.00876 -0.03498 -0.03252 0.06770 0.10734 166 2PY 0.01175 0.03475 0.00284 0.00097 -0.00273 167 2PZ 0.01543 0.02081 0.00534 -0.00995 -0.02958 168 3S 0.00634 0.01230 -0.00203 -0.00381 0.00888 169 3PX -0.00542 -0.02371 -0.02444 0.05277 0.08463 170 3PY 0.00777 0.02266 0.00679 -0.00902 -0.02305 171 3PZ 0.01284 0.01802 0.00361 -0.00735 -0.02414 172 4XX 0.00013 0.00092 0.00038 0.00003 -0.00026 173 4YY -0.00042 -0.00150 0.00097 -0.00115 -0.00276 174 4ZZ 0.00031 0.00030 0.00011 0.00028 -0.00176 175 4XY 0.00061 0.00113 -0.00004 -0.00029 0.00225 176 4XZ -0.00016 -0.00014 -0.00007 0.00008 -0.00063 177 4YZ -0.00033 -0.00022 -0.00004 0.00003 -0.00034 178 18 H 1S 0.00322 0.01308 0.01956 -0.04009 -0.06860 179 2S 0.00732 0.02460 0.02932 -0.05636 -0.14031 180 19 H 1S -0.00833 -0.01539 -0.05920 0.11221 -0.06232 181 2S -0.01777 -0.02269 -0.00974 0.02073 -0.06287 182 20 H 1S -0.00530 0.01190 -0.00594 0.01264 -0.02278 183 2S 0.01126 0.02766 -0.00975 0.02009 -0.05083 184 21 H 1S 0.00527 0.00009 0.00845 -0.01873 0.02369 185 2S 0.00833 0.00093 0.00583 -0.01342 0.02153 186 22 H 1S 0.00181 0.00386 -0.00086 0.00058 -0.00215 187 2S 0.00563 0.01161 -0.00290 0.00528 -0.02070 188 23 H 1S -0.00137 -0.00049 0.00043 -0.00087 0.00012 189 2S 0.00621 0.00469 0.00145 -0.00263 0.00200 190 24 H 1S -0.00108 0.00033 -0.00024 0.00024 -0.00033 191 2S -0.00106 0.00072 0.00090 -0.00197 0.00228 192 25 H 1S 0.00007 -0.00033 0.00005 -0.00020 0.00002 193 2S -0.00018 -0.00053 -0.00005 0.00006 -0.00020 194 26 H 1S 0.00048 0.00072 -0.00044 0.00110 -0.00096 195 2S 0.00089 0.00124 -0.00094 0.00229 -0.00262 196 27 H 1S -0.00021 -0.00013 0.00027 -0.00077 0.00093 197 2S -0.00029 -0.00044 0.00047 -0.00135 0.00166 136 137 138 139 140 136 2PY 0.41440 137 2PZ -0.00018 0.35655 138 3S 0.00918 -0.01661 0.39726 139 3PX 0.00659 0.01862 0.07438 0.09879 140 3PY 0.12622 -0.00408 -0.00721 0.00204 0.04898 141 3PZ 0.00035 0.25897 -0.01708 0.01856 -0.00073 142 4XX 0.00866 -0.00368 -0.00348 0.00072 0.00296 143 4YY -0.01873 0.00207 0.00154 -0.00251 -0.00545 144 4ZZ 0.00119 0.00156 -0.01161 0.00015 0.00148 145 4XY -0.01251 -0.00022 0.00288 0.00255 -0.00273 146 4XZ -0.00147 -0.00420 -0.00246 -0.00087 -0.00063 147 4YZ 0.00292 0.00806 -0.00044 0.00077 0.00072 148 16 C 1S -0.01865 0.01350 -0.00407 0.00081 -0.01984 149 2S 0.04221 -0.02922 0.02156 0.01645 0.03528 150 2PX -0.06483 0.07260 -0.15416 -0.10858 -0.00673 151 2PY 0.00018 0.01015 0.07201 -0.03729 0.04523 152 2PZ 0.01506 0.09974 0.00755 0.03346 -0.00863 153 3S 0.07102 -0.02346 -0.05162 -0.00566 0.02962 154 3PX -0.00304 0.01521 0.03830 0.01398 0.00073 155 3PY 0.03043 0.00598 0.04143 0.00339 0.01057 156 3PZ 0.00036 0.05120 -0.01717 0.00341 -0.00520 157 4XX 0.00651 -0.00659 0.02419 0.01033 0.00002 158 4YY -0.00768 0.00335 -0.02221 -0.01225 -0.00199 159 4ZZ 0.00009 0.00531 -0.00016 0.00211 -0.00154 160 4XY -0.01049 -0.00281 0.02370 0.00736 -0.00039 161 4XZ -0.00135 -0.01275 -0.00649 -0.00426 -0.00072 162 4YZ 0.00203 -0.00557 -0.00336 -0.00135 -0.00051 163 17 O 1S 0.00767 -0.00203 -0.00175 -0.00567 0.00225 164 2S -0.01340 0.00606 0.01769 0.00468 0.00647 165 2PX 0.03458 -0.03716 0.27093 0.17117 -0.01070 166 2PY 0.01562 -0.00005 -0.15514 -0.00365 -0.05404 167 2PZ -0.00871 -0.06244 -0.05364 -0.04180 -0.00702 168 3S -0.06081 0.00375 -0.01235 0.02562 -0.02844 169 3PX 0.03540 -0.03145 0.20181 0.11731 0.00144 170 3PY 0.01886 0.00222 -0.10472 -0.01667 -0.02419 171 3PZ -0.00893 -0.06117 -0.03763 -0.03010 -0.00633 172 4XX 0.00288 -0.00029 -0.00477 -0.00360 0.00127 173 4YY 0.00197 0.00024 0.00647 -0.00080 0.00362 174 4ZZ 0.00188 0.00063 0.00104 0.00028 -0.00005 175 4XY -0.00002 -0.00023 -0.00378 -0.00417 0.00233 176 4XZ -0.00017 -0.00080 0.00209 0.00107 -0.00005 177 4YZ -0.00004 0.00017 0.00123 0.00100 -0.00002 178 18 H 1S 0.00603 0.01319 -0.14207 -0.04758 -0.01003 179 2S 0.00685 0.02701 -0.18722 -0.08085 -0.01594 180 19 H 1S -0.25807 0.01529 0.09294 -0.02050 -0.08590 181 2S -0.23482 0.01257 -0.00322 -0.02869 -0.06805 182 20 H 1S 0.00643 -0.03500 0.03085 -0.00353 0.00529 183 2S 0.00933 -0.06041 0.03159 -0.01591 0.00314 184 21 H 1S 0.00074 -0.01010 -0.03019 -0.00369 0.01043 185 2S -0.01955 -0.00730 -0.02651 0.00272 0.00223 186 22 H 1S 0.00096 0.00432 0.00899 0.00198 0.00164 187 2S 0.00081 -0.02830 0.01306 -0.00730 0.00132 188 23 H 1S 0.00318 -0.00219 -0.01077 -0.00384 0.00004 189 2S 0.00613 -0.00329 -0.01306 -0.00489 0.00229 190 24 H 1S 0.00041 -0.00058 0.00164 0.00117 -0.00008 191 2S 0.00071 -0.00515 -0.00207 0.00144 0.00072 192 25 H 1S -0.00016 -0.00087 0.00104 -0.00072 0.00088 193 2S 0.00010 -0.00053 0.00126 -0.00065 0.00070 194 26 H 1S 0.00109 0.00336 0.00234 -0.00112 0.00015 195 2S 0.00215 0.00683 0.00443 -0.00181 0.00078 196 27 H 1S -0.00054 -0.00094 -0.00101 0.00149 -0.00032 197 2S -0.00088 -0.00203 -0.00170 0.00255 -0.00028 141 142 143 144 145 141 3PZ 0.19354 142 4XX -0.00164 0.00138 143 4YY 0.00051 -0.00096 0.00182 144 4ZZ 0.00149 0.00026 -0.00007 0.00087 145 4XY 0.00066 -0.00008 0.00034 -0.00003 0.00091 146 4XZ -0.00387 -0.00013 0.00019 0.00003 -0.00001 147 4YZ 0.00567 -0.00001 -0.00010 0.00005 -0.00014 148 16 C 1S 0.00024 -0.00733 0.00285 0.00141 -0.00129 149 2S -0.00365 0.01291 -0.00714 -0.00315 0.00307 150 2PX 0.03073 -0.00522 0.00946 0.00479 -0.00720 151 2PY 0.01027 -0.00343 0.00439 0.00027 0.00816 152 2PZ 0.05650 0.00272 -0.00186 -0.00243 0.00182 153 3S -0.00037 0.01350 -0.01042 -0.00100 0.00011 154 3PX 0.00085 -0.00263 0.00212 0.00054 -0.00251 155 3PY 0.00115 -0.00280 0.00034 -0.00026 0.00020 156 3PZ 0.02752 0.00159 -0.00034 -0.00108 0.00100 157 4XX -0.00554 -0.00001 -0.00049 -0.00051 -0.00020 158 4YY 0.00189 -0.00019 0.00081 0.00025 -0.00014 159 4ZZ 0.00364 -0.00055 0.00007 0.00024 -0.00020 160 4XY -0.00242 -0.00034 0.00049 -0.00025 0.00095 161 4XZ -0.01024 0.00007 0.00011 -0.00000 -0.00008 162 4YZ -0.00566 0.00022 -0.00011 -0.00015 -0.00014 163 17 O 1S 0.00068 -0.00026 -0.00085 -0.00023 -0.00083 164 2S 0.00020 0.00056 0.00180 0.00031 0.00124 165 2PX -0.04729 -0.00102 -0.00573 -0.00116 -0.00483 166 2PY -0.00430 -0.00132 -0.00200 0.00002 -0.00505 167 2PZ -0.07597 0.00386 0.00128 -0.00348 0.00184 168 3S -0.00246 -0.00059 0.00288 0.00029 0.00115 169 3PX -0.03494 -0.00003 -0.00463 -0.00105 -0.00244 170 3PY -0.00111 -0.00041 -0.00102 0.00025 -0.00333 171 3PZ -0.06463 0.00243 0.00100 -0.00231 0.00100 172 4XX 0.00066 0.00002 -0.00006 -0.00001 0.00015 173 4YY 0.00026 0.00020 -0.00005 0.00004 -0.00003 174 4ZZ -0.00028 -0.00007 -0.00006 -0.00003 -0.00012 175 4XY 0.00121 0.00026 0.00004 -0.00002 0.00046 176 4XZ 0.00005 -0.00014 -0.00001 0.00010 -0.00012 177 4YZ 0.00165 -0.00025 -0.00001 0.00018 -0.00014 178 18 H 1S 0.00772 0.00425 -0.00087 0.00080 -0.00635 179 2S 0.01388 0.00033 0.00186 0.00139 -0.00722 180 19 H 1S 0.00502 -0.00915 0.01584 -0.00607 0.00684 181 2S 0.00455 -0.00885 0.01548 -0.00228 0.00616 182 20 H 1S -0.03475 -0.00252 0.00114 -0.00007 -0.00029 183 2S -0.05594 -0.00315 0.00171 -0.00068 -0.00091 184 21 H 1S -0.00305 0.00045 0.00025 0.00022 0.00092 185 2S -0.00273 -0.00165 0.00256 -0.00001 0.00137 186 22 H 1S -0.00121 -0.00083 0.00025 0.00015 -0.00003 187 2S -0.02725 -0.00104 0.00058 -0.00025 -0.00039 188 23 H 1S 0.00018 -0.00011 -0.00010 0.00000 0.00015 189 2S 0.00000 -0.00002 -0.00014 0.00005 0.00013 190 24 H 1S -0.00046 0.00005 -0.00010 -0.00005 0.00004 191 2S -0.00337 -0.00010 0.00007 -0.00002 0.00016 192 25 H 1S -0.00047 0.00005 -0.00001 -0.00001 -0.00003 193 2S -0.00026 0.00004 -0.00001 -0.00003 -0.00002 194 26 H 1S 0.00344 -0.00015 0.00021 -0.00003 -0.00001 195 2S 0.00661 -0.00038 0.00044 -0.00007 -0.00005 196 27 H 1S -0.00148 0.00008 -0.00016 0.00003 0.00005 197 2S -0.00277 0.00011 -0.00025 0.00005 0.00008 146 147 148 149 150 146 4XZ 0.00037 147 4YZ -0.00011 0.00023 148 16 C 1S 0.00189 0.00020 2.05356 149 2S -0.00347 -0.00045 -0.07295 0.35775 150 2PX 0.00335 0.00169 0.00118 -0.00443 0.42569 151 2PY 0.00048 -0.00128 0.00766 -0.00418 -0.00582 152 2PZ 0.00499 0.00268 -0.00068 0.00090 -0.02730 153 3S -0.00293 0.00008 -0.14412 0.26098 -0.01771 154 3PX 0.00133 0.00077 0.01471 -0.01832 0.10115 155 3PY 0.00074 0.00010 0.04008 -0.06479 -0.02881 156 3PZ 0.00319 0.00128 -0.00464 0.00647 0.01002 157 4XX 0.00005 -0.00003 -0.01565 -0.00546 -0.01355 158 4YY 0.00017 -0.00002 -0.01801 -0.00059 0.01842 159 4ZZ -0.00003 0.00014 -0.01037 -0.01882 -0.00473 160 4XY 0.00008 -0.00017 0.00126 0.00020 -0.00346 161 4XZ 0.00047 -0.00029 0.00102 -0.00279 0.00281 162 4YZ 0.00056 -0.00007 0.00029 -0.00127 0.00163 163 17 O 1S 0.00004 0.00020 0.01158 -0.01307 -0.01973 164 2S -0.00014 -0.00027 -0.02228 0.02630 0.05012 165 2PX 0.00231 0.00128 0.04622 -0.08937 -0.00773 166 2PY 0.00157 0.00052 0.08918 -0.20673 -0.17624 167 2PZ 0.01109 -0.00117 -0.01292 0.02671 0.06770 168 3S 0.00015 -0.00038 0.00194 -0.05025 -0.01870 169 3PX 0.00130 0.00067 0.02526 -0.04337 -0.01773 170 3PY 0.00092 0.00032 0.04581 -0.10012 -0.07177 171 3PZ 0.00740 -0.00121 -0.00705 0.01325 0.04218 172 4XX -0.00010 -0.00005 0.00058 0.00018 -0.00670 173 4YY -0.00010 0.00003 -0.00697 0.01495 0.01597 174 4ZZ 0.00018 0.00005 0.00286 -0.00372 0.00099 175 4XY -0.00021 -0.00010 -0.00573 0.01100 -0.00265 176 4XZ -0.00025 -0.00002 0.00085 -0.00151 -0.00026 177 4YZ -0.00054 -0.00001 0.00166 -0.00318 -0.00388 178 18 H 1S -0.00029 0.00099 -0.05952 0.11451 0.15366 179 2S 0.00072 0.00101 -0.00872 0.01726 0.14999 180 19 H 1S 0.00051 -0.00168 0.01377 -0.03390 0.03733 181 2S 0.00128 -0.00158 0.01467 -0.03656 0.07557 182 20 H 1S 0.00009 -0.00044 0.00269 -0.00580 0.01021 183 2S 0.00092 -0.00098 0.00488 -0.01093 0.02320 184 21 H 1S -0.00020 -0.00026 -0.00232 0.00417 -0.01012 185 2S 0.00016 -0.00031 0.00119 -0.00209 -0.00495 186 22 H 1S -0.00012 0.00034 0.00083 -0.00139 0.00306 187 2S 0.00036 -0.00037 0.00198 -0.00421 0.00924 188 23 H 1S -0.00034 0.00004 -0.00018 0.00005 -0.00076 189 2S -0.00036 -0.00004 -0.00089 0.00150 -0.00247 190 24 H 1S -0.00001 -0.00004 -0.00004 0.00014 -0.00002 191 2S 0.00017 -0.00017 -0.00033 0.00058 -0.00094 192 25 H 1S -0.00003 0.00001 -0.00007 0.00010 -0.00024 193 2S -0.00002 -0.00000 0.00002 0.00000 -0.00008 194 26 H 1S 0.00017 -0.00003 0.00034 -0.00072 0.00154 195 2S 0.00027 -0.00001 0.00072 -0.00156 0.00342 196 27 H 1S -0.00006 0.00001 -0.00017 0.00046 -0.00088 197 2S -0.00013 0.00003 -0.00031 0.00079 -0.00157 151 152 153 154 155 151 2PY 0.42833 152 2PZ -0.00810 0.27153 153 3S -0.07837 0.01019 0.24590 154 3PX -0.01742 0.00685 -0.03339 0.06286 155 3PY 0.07013 0.01195 -0.05818 0.00361 0.03276 156 3PZ 0.00734 0.15041 0.01023 0.00238 0.00383 157 4XX -0.00953 0.00396 -0.00436 0.00559 0.00269 158 4YY 0.00230 -0.00173 0.00010 -0.00378 -0.00371 159 4ZZ -0.00557 -0.00148 -0.01112 0.00050 0.00300 160 4XY 0.02613 0.00180 -0.01065 0.00570 0.00450 161 4XZ -0.00043 0.00327 -0.00069 -0.00076 0.00003 162 4YZ -0.00414 0.01449 0.00127 0.00075 0.00030 163 17 O 1S -0.04467 0.00595 0.02562 -0.00246 0.00266 164 2S 0.10830 -0.01412 -0.07386 0.00495 -0.01785 165 2PX -0.18662 0.06612 -0.10397 0.15910 0.01644 166 2PY -0.29292 0.06618 -0.08635 -0.09447 -0.01953 167 2PZ 0.06751 0.31524 0.02677 0.00986 0.01246 168 3S -0.00395 0.00110 -0.12325 -0.01929 -0.03105 169 3PX -0.08642 0.04235 -0.06330 0.10536 0.01674 170 3PY -0.14830 0.03211 -0.03891 -0.05370 -0.01386 171 3PZ 0.03592 0.19494 0.01567 0.00524 0.00689 172 4XX 0.00646 -0.00210 0.00260 -0.00564 0.00145 173 4YY 0.00969 -0.00491 0.00922 0.00729 -0.00036 174 4ZZ -0.00150 0.00531 -0.00185 0.00160 0.00127 175 4XY 0.01511 -0.00414 0.00744 -0.00559 -0.00026 176 4XZ -0.00334 -0.00968 -0.00152 0.00080 -0.00050 177 4YZ -0.00457 -0.01808 -0.00228 -0.00124 -0.00069 178 18 H 1S -0.21352 -0.01395 0.12919 0.00983 -0.07048 179 2S -0.18772 -0.01376 0.06076 -0.01197 -0.05185 180 19 H 1S 0.02198 -0.00821 -0.07050 0.00624 -0.00714 181 2S 0.04091 -0.01769 -0.06651 0.00358 -0.00890 182 20 H 1S 0.00111 -0.01061 -0.02219 0.01065 0.00406 183 2S 0.00192 -0.01482 -0.02603 0.01228 0.00572 184 21 H 1S -0.00193 0.00050 0.01720 -0.00858 -0.00302 185 2S -0.00217 0.00035 0.00154 -0.00491 -0.00230 186 22 H 1S 0.00042 -0.00114 -0.00793 0.00442 0.00046 187 2S 0.00220 -0.00799 -0.01103 0.00539 0.00137 188 23 H 1S -0.00079 -0.00181 0.00644 -0.00293 0.00005 189 2S -0.00041 -0.00245 0.00859 -0.00466 -0.00034 190 24 H 1S 0.00004 -0.00027 -0.00098 0.00075 0.00060 191 2S -0.00028 -0.00026 -0.00052 0.00038 0.00060 192 25 H 1S -0.00004 -0.00018 0.00044 -0.00032 -0.00035 193 2S 0.00003 0.00008 0.00019 -0.00009 -0.00019 194 26 H 1S 0.00024 0.00107 -0.00162 0.00085 0.00008 195 2S 0.00032 0.00167 -0.00350 0.00168 0.00025 196 27 H 1S -0.00005 -0.00032 0.00019 0.00009 0.00013 197 2S -0.00007 -0.00073 0.00039 0.00010 0.00025 156 157 158 159 160 156 3PZ 0.08691 157 4XX -0.00031 0.00296 158 4YY 0.00178 -0.00236 0.00322 159 4ZZ -0.00193 0.00074 -0.00045 0.00145 160 4XY 0.00037 0.00119 -0.00132 -0.00041 0.00410 161 4XZ 0.00277 -0.00021 0.00053 -0.00021 -0.00036 162 4YZ 0.00856 0.00027 0.00010 -0.00019 -0.00038 163 17 O 1S 0.00031 0.00242 -0.00906 0.00391 -0.00890 164 2S 0.00034 -0.00596 0.01630 -0.00866 0.01893 165 2PX 0.00401 0.04007 -0.03286 0.00817 0.02456 166 2PY 0.02935 -0.00195 0.01304 0.01244 -0.02974 167 2PZ 0.19337 -0.00170 0.00721 -0.00941 0.00281 168 3S 0.00378 -0.00444 0.01980 -0.00409 0.01357 169 3PX 0.00150 0.02723 -0.02348 0.00436 0.01955 170 3PY 0.01707 -0.00379 0.01019 0.00535 -0.01731 171 3PZ 0.12040 -0.00087 0.00486 -0.00605 0.00126 172 4XX -0.00079 -0.00078 0.00031 0.00006 -0.00080 173 4YY -0.00222 0.00017 -0.00075 -0.00077 0.00109 174 4ZZ 0.00280 0.00036 -0.00029 0.00019 -0.00004 175 4XY -0.00123 -0.00130 0.00072 -0.00070 0.00001 176 4XZ -0.00588 0.00021 -0.00026 0.00026 -0.00000 177 4YZ -0.01087 0.00001 -0.00021 0.00054 -0.00036 178 18 H 1S 0.00255 -0.00808 0.01227 -0.00533 -0.02122 179 2S 0.00595 -0.01277 0.01828 -0.00142 -0.02591 180 19 H 1S -0.00054 -0.00141 0.00472 -0.00059 0.00828 181 2S -0.00109 -0.00710 0.00873 -0.00086 0.00499 182 20 H 1S -0.00651 0.00084 0.00044 -0.00062 -0.00026 183 2S -0.00686 0.00091 0.00154 -0.00115 -0.00071 184 21 H 1S 0.00034 0.00019 -0.00039 -0.00035 0.00021 185 2S 0.00007 -0.00003 0.00021 -0.00020 0.00058 186 22 H 1S -0.00093 -0.00007 0.00020 0.00014 -0.00014 187 2S -0.00350 0.00024 0.00075 -0.00048 -0.00009 188 23 H 1S -0.00178 0.00021 -0.00008 -0.00009 -0.00014 189 2S -0.00189 0.00008 -0.00003 -0.00015 -0.00033 190 24 H 1S -0.00031 0.00004 -0.00008 0.00001 -0.00001 191 2S -0.00022 0.00006 -0.00005 -0.00009 -0.00009 192 25 H 1S -0.00011 -0.00000 -0.00001 -0.00003 0.00003 193 2S 0.00002 0.00001 -0.00002 -0.00002 0.00002 194 26 H 1S 0.00081 -0.00003 0.00005 0.00008 -0.00014 195 2S 0.00122 -0.00010 0.00014 0.00015 -0.00030 196 27 H 1S -0.00031 0.00001 -0.00003 -0.00001 0.00007 197 2S -0.00070 0.00003 -0.00007 -0.00003 0.00013 161 162 163 164 165 161 4XZ 0.00095 162 4YZ 0.00085 0.00135 163 17 O 1S 0.00089 0.00241 2.07835 164 2S -0.00179 -0.00494 -0.18257 0.50925 165 2PX -0.00460 0.00319 -0.01874 0.04563 0.77860 166 2PY 0.00544 0.00649 -0.03799 0.06304 -0.09227 167 2PZ 0.01558 0.02534 0.00588 -0.01175 -0.02985 168 3S -0.00102 -0.00420 -0.23996 0.57983 0.07560 169 3PX -0.00343 0.00165 -0.01598 0.03647 0.51878 170 3PY 0.00338 0.00354 -0.03229 0.05620 -0.08615 171 3PZ 0.01091 0.01667 0.00510 -0.00990 -0.01911 172 4XX 0.00011 -0.00008 -0.01159 -0.01030 -0.02202 173 4YY -0.00031 -0.00030 -0.01104 -0.00935 0.00791 174 4ZZ 0.00017 0.00042 -0.01403 -0.00531 0.00566 175 4XY -0.00005 -0.00038 0.00031 0.00030 -0.02707 176 4XZ -0.00034 -0.00065 -0.00048 0.00086 0.00460 177 4YZ -0.00065 -0.00128 -0.00035 0.00038 -0.00066 178 18 H 1S 0.00175 0.00248 0.00800 -0.02403 -0.06667 179 2S 0.00373 0.00316 0.00426 -0.01821 -0.16371 180 19 H 1S -0.00002 -0.00159 -0.00481 0.01026 -0.03291 181 2S 0.00129 -0.00135 -0.00413 0.01002 -0.09200 182 20 H 1S 0.00191 0.00133 0.00017 0.00004 0.00229 183 2S 0.00342 0.00240 -0.00002 0.00112 -0.00348 184 21 H 1S 0.00024 0.00015 0.00005 -0.00059 0.00441 185 2S 0.00024 0.00007 -0.00078 0.00056 0.00118 186 22 H 1S -0.00011 0.00002 -0.00009 0.00024 -0.00119 187 2S 0.00156 0.00103 -0.00020 0.00088 -0.00254 188 23 H 1S 0.00013 0.00013 0.00022 -0.00037 0.00131 189 2S 0.00015 0.00006 0.00057 -0.00094 -0.00212 190 24 H 1S 0.00002 0.00002 0.00015 -0.00026 0.00076 191 2S 0.00021 0.00017 0.00030 -0.00060 0.00025 192 25 H 1S 0.00005 0.00003 -0.00002 -0.00001 0.00010 193 2S 0.00004 0.00003 0.00000 -0.00005 0.00025 194 26 H 1S -0.00018 -0.00013 -0.00001 -0.00000 -0.00080 195 2S -0.00034 -0.00024 -0.00002 0.00001 -0.00205 196 27 H 1S 0.00005 0.00004 0.00002 -0.00001 0.00048 197 2S 0.00010 0.00009 0.00004 -0.00002 0.00107 166 167 168 169 170 166 2PY 0.65639 167 2PZ 0.00779 0.55744 168 3S 0.29243 -0.03512 0.74991 169 3PX -0.10403 -0.01734 0.04072 0.35115 170 3PY 0.35445 0.01257 0.17639 -0.08047 0.19610 171 3PZ 0.01456 0.36026 -0.02147 -0.01187 0.01316 172 4XX 0.00257 -0.00073 -0.01206 -0.01430 0.00177 173 4YY -0.03948 -0.00143 -0.02379 0.00723 -0.02115 174 4ZZ 0.00072 0.00700 -0.00553 0.00362 0.00004 175 4XY -0.01028 -0.00078 -0.00507 -0.01663 -0.00435 176 4XZ -0.00063 -0.01530 0.00168 0.00289 -0.00064 177 4YZ 0.00306 -0.02920 0.00263 -0.00080 0.00131 178 18 H 1S 0.08108 0.00645 -0.00729 -0.06605 0.05839 179 2S 0.18682 0.01724 0.02515 -0.13640 0.11944 180 19 H 1S -0.02054 0.00852 0.03210 -0.02812 -0.01682 181 2S -0.02450 0.01720 0.02305 -0.06849 -0.01356 182 20 H 1S -0.00006 0.01967 -0.00260 0.00064 0.00117 183 2S 0.00230 0.03824 -0.00400 -0.00354 0.00421 184 21 H 1S 0.00199 0.00197 0.00152 0.00419 0.00090 185 2S 0.00472 0.00252 0.00624 0.00041 0.00191 186 22 H 1S 0.00002 -0.00022 0.00047 -0.00171 0.00049 187 2S -0.00014 0.01683 -0.00053 -0.00242 0.00133 188 23 H 1S 0.00049 0.00079 -0.00206 0.00186 0.00016 189 2S 0.00128 -0.00037 -0.00222 -0.00050 0.00087 190 24 H 1S -0.00055 -0.00002 -0.00104 0.00065 -0.00042 191 2S 0.00047 0.00230 -0.00129 0.00035 0.00017 192 25 H 1S 0.00004 0.00046 0.00030 0.00007 -0.00002 193 2S -0.00003 0.00057 0.00011 0.00018 -0.00005 194 26 H 1S -0.00000 -0.00203 0.00018 -0.00081 -0.00002 195 2S 0.00026 -0.00378 0.00024 -0.00190 0.00019 196 27 H 1S -0.00011 0.00065 -0.00023 0.00040 -0.00003 197 2S -0.00031 0.00128 -0.00045 0.00089 -0.00013 171 172 173 174 175 171 3PZ 0.23441 172 4XX -0.00044 0.00105 173 4YY -0.00141 -0.00012 0.00280 174 4ZZ 0.00448 0.00006 0.00014 0.00037 175 4XY -0.00075 0.00080 0.00041 -0.00032 0.00141 176 4XZ -0.00971 -0.00012 0.00011 -0.00017 -0.00013 177 4YZ -0.01859 0.00011 -0.00013 -0.00038 0.00003 178 18 H 1S 0.00716 -0.00208 0.00183 -0.00086 -0.00164 179 2S 0.01545 0.00122 -0.00574 -0.00046 -0.00112 180 19 H 1S 0.00710 -0.00119 -0.00093 -0.00090 0.00046 181 2S 0.01293 0.00016 -0.00045 -0.00124 0.00227 182 20 H 1S 0.01586 -0.00001 0.00025 0.00020 -0.00028 183 2S 0.02966 0.00006 0.00033 0.00047 -0.00038 184 21 H 1S 0.00188 -0.00008 -0.00039 -0.00010 -0.00004 185 2S 0.00250 -0.00020 -0.00069 -0.00012 -0.00003 186 22 H 1S -0.00001 0.00001 -0.00003 -0.00002 0.00002 187 2S 0.01324 0.00002 0.00007 0.00012 -0.00006 188 23 H 1S 0.00101 0.00010 0.00012 0.00012 -0.00008 189 2S 0.00025 0.00017 0.00003 0.00007 0.00013 190 24 H 1S -0.00002 0.00003 0.00009 0.00003 -0.00002 191 2S 0.00172 0.00007 0.00003 0.00005 -0.00001 192 25 H 1S 0.00040 -0.00002 -0.00002 -0.00002 0.00000 193 2S 0.00044 -0.00002 -0.00001 -0.00001 -0.00001 194 26 H 1S -0.00173 0.00000 0.00000 -0.00003 0.00000 195 2S -0.00316 0.00001 0.00001 -0.00004 0.00001 196 27 H 1S 0.00055 0.00001 0.00000 0.00002 0.00001 197 2S 0.00111 0.00001 0.00001 0.00003 0.00000 176 177 178 179 180 176 4XZ 0.00047 177 4YZ 0.00082 0.00159 178 18 H 1S 0.00036 0.00016 0.22341 179 2S -0.00029 0.00059 0.20183 0.23081 180 19 H 1S -0.00003 -0.00013 -0.01572 -0.00648 0.21724 181 2S -0.00044 -0.00039 -0.00151 0.01647 0.17484 182 20 H 1S -0.00010 -0.00055 0.00338 0.00879 0.00559 183 2S -0.00035 -0.00118 0.00859 0.01793 0.01011 184 21 H 1S -0.00003 -0.00009 -0.00174 -0.00418 -0.00525 185 2S -0.00001 -0.00010 -0.00176 -0.00132 0.01265 186 22 H 1S 0.00002 0.00005 0.00097 0.00180 0.00113 187 2S -0.00014 -0.00048 0.00268 0.00562 0.00458 188 23 H 1S 0.00000 0.00002 0.00041 0.00024 -0.00108 189 2S 0.00005 0.00005 0.00084 0.00108 -0.00326 190 24 H 1S -0.00000 0.00001 -0.00010 -0.00003 -0.00003 191 2S -0.00005 -0.00008 0.00020 0.00049 -0.00044 192 25 H 1S -0.00000 -0.00002 -0.00009 -0.00023 -0.00013 193 2S -0.00001 -0.00002 -0.00009 -0.00016 -0.00006 194 26 H 1S 0.00001 0.00005 0.00050 0.00127 0.00068 195 2S 0.00002 0.00010 0.00127 0.00291 0.00149 196 27 H 1S -0.00001 -0.00001 -0.00034 -0.00082 -0.00041 197 2S -0.00001 -0.00002 -0.00064 -0.00147 -0.00072 181 182 183 184 185 181 2S 0.16759 182 20 H 1S 0.00443 0.21370 183 2S 0.00659 0.16744 0.15687 184 21 H 1S 0.01207 -0.02370 -0.04636 0.21552 185 2S 0.02881 -0.04469 -0.04706 0.16738 0.15229 186 22 H 1S 0.00253 0.02701 0.05287 -0.01404 -0.01625 187 2S 0.00453 0.05200 0.07887 -0.01751 -0.01854 188 23 H 1S 0.00058 -0.01686 -0.02149 0.02777 0.05073 189 2S 0.00012 -0.01892 -0.02220 0.04807 0.06755 190 24 H 1S -0.00137 -0.00030 -0.00129 -0.00196 0.01500 191 2S 0.00058 -0.00227 -0.00325 0.01117 0.02760 192 25 H 1S 0.00016 -0.00027 -0.00118 -0.00005 -0.00082 193 2S -0.00001 -0.00044 -0.00133 -0.00004 0.00162 194 26 H 1S 0.00074 0.00134 -0.00310 0.00088 -0.00075 195 2S 0.00185 0.00259 -0.00594 0.00140 -0.00137 196 27 H 1S -0.00052 -0.00014 0.00745 -0.00064 0.00132 197 2S -0.00072 0.00028 0.01237 -0.00047 0.00316 186 187 188 189 190 186 22 H 1S 0.21384 187 2S 0.16999 0.15837 188 23 H 1S -0.02374 -0.04779 0.21651 189 2S -0.04598 -0.04985 0.16557 0.14943 190 24 H 1S -0.01482 -0.01372 0.02709 0.05200 0.21772 191 2S -0.01179 -0.00951 0.04704 0.07150 0.17987 192 25 H 1S -0.00112 -0.00242 -0.00122 -0.00034 -0.00481 193 2S -0.00324 -0.00405 0.00482 0.00703 0.01506 194 26 H 1S -0.00549 -0.00742 -0.00141 -0.00052 0.00507 195 2S -0.01027 -0.01389 -0.00113 0.00018 0.00930 196 27 H 1S 0.00904 0.01680 -0.00015 -0.00151 0.00493 197 2S 0.01790 0.02852 0.00160 -0.00028 0.00905 191 192 193 194 195 191 2S 0.17495 192 25 H 1S 0.01370 0.21236 193 2S 0.03266 0.15992 0.13643 194 26 H 1S 0.00411 -0.02182 -0.03784 0.21141 195 2S 0.00606 -0.04052 -0.03775 0.16675 0.15165 196 27 H 1S 0.00450 -0.02175 -0.03793 -0.02097 -0.04698 197 2S 0.00696 -0.04035 -0.03794 -0.04689 -0.05763 196 197 196 27 H 1S 0.21137 197 2S 0.16645 0.15130 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05082 2 2S -0.01164 0.30001 3 2PX 0.00000 0.00000 0.39464 4 2PY 0.00000 0.00000 -0.00000 0.40025 5 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.39996 6 3S -0.03428 0.23649 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.11303 0.00000 0.00000 8 3PY 0.00000 0.00000 -0.00000 0.10935 -0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.10553 10 4XX -0.00136 -0.00220 0.00000 0.00000 0.00000 11 4YY -0.00144 -0.00045 0.00000 0.00000 0.00000 12 4ZZ -0.00146 -0.00016 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 -0.00020 -0.00105 -0.00038 -0.00004 17 2S -0.00020 0.00535 0.02116 0.00748 0.00075 18 2PX -0.00100 0.01855 0.03831 0.01994 0.00222 19 2PY -0.00038 0.00692 0.02100 0.00125 0.00074 20 2PZ -0.00004 0.00065 0.00222 0.00070 0.00170 21 3S 0.00017 0.00109 0.01552 0.00885 0.00054 22 3PX -0.00080 0.01090 0.00755 0.00415 0.00080 23 3PY 0.00017 0.00047 -0.00166 -0.00156 -0.00004 24 3PZ -0.00003 0.00040 0.00083 0.00014 0.00024 25 4XX -0.00006 0.00128 -0.00061 0.00148 0.00017 26 4YY 0.00000 -0.00017 -0.00005 -0.00031 -0.00000 27 4ZZ 0.00000 -0.00016 -0.00037 -0.00012 0.00002 28 4XY -0.00008 0.00135 0.00191 -0.00001 0.00012 29 4XZ -0.00001 0.00009 0.00013 0.00010 0.00084 30 4YZ -0.00000 0.00005 0.00012 -0.00000 0.00018 31 3 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00004 -0.00004 -0.00016 -0.00000 33 2PX 0.00000 -0.00004 -0.00000 -0.00007 -0.00000 34 2PY 0.00000 -0.00016 -0.00022 -0.00040 -0.00001 35 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 36 3S 0.00010 -0.00169 -0.00144 -0.00403 -0.00005 37 3PX 0.00003 -0.00036 0.00003 0.00041 -0.00002 38 3PY 0.00017 -0.00243 -0.00317 -0.00340 -0.00010 39 3PZ 0.00000 -0.00001 -0.00002 0.00001 -0.00062 40 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 41 4YY -0.00000 0.00000 0.00001 0.00003 0.00000 42 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 43 4XY -0.00000 0.00001 0.00002 0.00005 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 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 47 2S -0.00000 0.00010 0.00013 0.00026 0.00000 48 5 H 1S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 49 2S 0.00000 -0.00009 -0.00006 -0.00015 0.00000 50 6 H 1S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 51 2S 0.00000 -0.00010 -0.00010 -0.00016 0.00004 52 7 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 53 2S 0.00000 -0.00007 -0.00029 0.00000 -0.00001 54 2PX 0.00000 -0.00023 -0.00074 -0.00001 -0.00005 55 2PY 0.00000 -0.00000 0.00000 -0.00003 0.00000 56 2PZ 0.00000 -0.00001 -0.00005 -0.00000 -0.00003 57 3S 0.00005 -0.00106 -0.00322 0.00002 -0.00010 58 3PX -0.00003 0.00053 0.00410 -0.00013 -0.00007 59 3PY 0.00000 -0.00002 0.00018 -0.00081 0.00001 60 3PZ -0.00000 0.00001 -0.00007 -0.00000 -0.00086 61 4XX -0.00000 0.00003 0.00016 0.00000 0.00001 62 4YY 0.00000 -0.00000 -0.00001 0.00000 -0.00000 63 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 64 4XY -0.00000 0.00000 0.00001 -0.00000 0.00000 65 4XZ -0.00000 0.00000 0.00001 0.00000 0.00000 66 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 67 8 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 68 2S -0.00000 0.00000 0.00000 0.00000 0.00000 69 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 70 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 71 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 72 3S -0.00000 0.00002 0.00010 0.00000 0.00000 73 3PX -0.00000 0.00006 0.00023 0.00000 0.00000 74 3PY -0.00000 0.00001 0.00003 0.00000 0.00000 75 3PZ -0.00000 0.00000 0.00001 -0.00000 -0.00000 76 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 77 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 78 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 79 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 81 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 82 9 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 83 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 84 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 85 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 86 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 87 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 88 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 89 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 90 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 91 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 92 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 93 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 94 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 97 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 99 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 100 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 101 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 102 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 103 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 104 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 105 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 106 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 107 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 108 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 109 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 110 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 111 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 112 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 113 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 114 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 115 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 116 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 118 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 120 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 121 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 122 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 129 13 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 130 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 131 14 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 132 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 139 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 140 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 141 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 182 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 183 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 184 21 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 185 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 22 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 187 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 188 23 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 190 24 H 1S 0.00000 -0.00001 -0.00005 -0.00000 -0.00000 191 2S 0.00003 -0.00060 -0.00189 0.00041 -0.00007 192 25 H 1S -0.00171 0.02815 0.00242 0.09497 0.00011 193 2S -0.00064 0.01159 0.00109 0.05861 0.00005 194 26 H 1S -0.00165 0.02692 0.01429 0.00519 0.07640 195 2S -0.00060 0.01091 0.00875 0.00320 0.04917 196 27 H 1S -0.00165 0.02693 0.04510 0.00543 0.04537 197 2S -0.00061 0.01092 0.02823 0.00333 0.02942 6 7 8 9 10 6 3S 0.32038 7 3PX 0.00000 0.10298 8 3PY 0.00000 0.00000 0.09393 9 3PZ 0.00000 0.00000 0.00000 0.08763 10 4XX -0.00065 0.00000 0.00000 0.00000 0.00096 11 4YY -0.00069 0.00000 0.00000 0.00000 -0.00019 12 4ZZ -0.00003 0.00000 0.00000 0.00000 0.00002 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 -0.00016 -0.00146 -0.00041 -0.00005 -0.00007 17 2S 0.00409 0.01792 0.00418 0.00063 0.00138 18 2PX 0.03021 0.01220 0.01339 0.00163 -0.00042 19 2PY 0.01430 0.01641 -0.00279 0.00057 0.00171 20 2PZ 0.00102 0.00163 0.00043 0.00567 0.00017 21 3S -0.00883 0.01135 0.00635 0.00043 0.00155 22 3PX 0.01603 -0.00027 0.00319 0.00084 -0.00012 23 3PY 0.00099 -0.00065 -0.00284 -0.00002 0.00039 24 3PZ 0.00053 0.00090 0.00006 0.00650 0.00021 25 4XX 0.00263 -0.00014 0.00114 0.00010 0.00007 26 4YY -0.00094 -0.00031 -0.00071 -0.00001 -0.00011 27 4ZZ -0.00030 -0.00047 -0.00006 -0.00006 -0.00003 28 4XY 0.00097 0.00027 0.00001 0.00004 -0.00004 29 4XZ 0.00006 0.00001 0.00002 0.00043 -0.00001 30 4YZ 0.00003 0.00004 0.00000 0.00017 -0.00000 31 3 C 1S 0.00010 0.00005 0.00014 0.00000 0.00000 32 2S -0.00153 -0.00063 -0.00181 -0.00002 -0.00000 33 2PX -0.00082 0.00000 -0.00009 -0.00003 -0.00000 34 2PY -0.00466 -0.00323 -0.00263 -0.00011 -0.00002 35 2PZ -0.00002 -0.00003 0.00001 -0.00063 0.00000 36 3S -0.01102 -0.00487 -0.00998 -0.00016 -0.00015 37 3PX -0.00135 -0.00017 0.00135 -0.00004 0.00000 38 3PY -0.01442 -0.00828 -0.00477 -0.00028 -0.00032 39 3PZ -0.00005 -0.00004 0.00005 -0.00224 0.00001 40 4XX 0.00011 0.00003 0.00008 -0.00000 0.00000 41 4YY -0.00004 0.00001 0.00010 0.00000 0.00000 42 4ZZ -0.00001 0.00002 -0.00002 0.00000 0.00000 43 4XY 0.00016 0.00002 0.00019 0.00001 0.00000 44 4XZ 0.00000 -0.00000 0.00000 -0.00001 -0.00000 45 4YZ 0.00001 0.00001 0.00001 0.00005 0.00000 46 4 H 1S 0.00008 0.00009 0.00007 0.00000 0.00000 47 2S 0.00166 0.00118 0.00160 0.00004 0.00001 48 5 H 1S -0.00015 0.00003 -0.00023 -0.00024 0.00000 49 2S -0.00035 -0.00000 -0.00025 -0.00072 0.00002 50 6 H 1S -0.00016 -0.00002 -0.00019 -0.00020 0.00000 51 2S -0.00031 -0.00021 -0.00005 -0.00051 -0.00000 52 7 C 1S 0.00009 0.00019 -0.00000 0.00001 -0.00000 53 2S -0.00127 -0.00272 0.00003 -0.00010 0.00002 54 2PX -0.00490 -0.00539 -0.00020 -0.00021 0.00011 55 2PY -0.00009 -0.00001 -0.00068 -0.00000 -0.00000 56 2PZ -0.00019 -0.00020 -0.00001 0.00017 0.00002 57 3S -0.00442 -0.00756 0.00006 -0.00031 0.00024 58 3PX -0.00023 0.00508 -0.00036 0.00024 0.00038 59 3PY -0.00003 0.00032 -0.00263 0.00001 0.00000 60 3PZ -0.00010 0.00023 -0.00002 0.00003 0.00016 61 4XX 0.00046 0.00096 0.00001 0.00006 0.00000 62 4YY -0.00018 -0.00036 -0.00000 -0.00001 -0.00000 63 4ZZ 0.00004 0.00007 0.00000 -0.00000 -0.00000 64 4XY 0.00002 0.00003 -0.00005 0.00000 -0.00000 65 4XZ 0.00001 0.00004 0.00000 0.00003 0.00000 66 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 67 8 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 68 2S 0.00002 0.00004 0.00000 0.00000 -0.00000 69 2PX 0.00010 0.00020 0.00002 0.00001 -0.00000 70 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 71 2PZ 0.00000 0.00001 0.00000 -0.00000 -0.00000 72 3S 0.00053 0.00131 0.00002 0.00005 -0.00000 73 3PX 0.00142 0.00226 0.00012 0.00007 -0.00001 74 3PY 0.00009 0.00019 0.00002 0.00001 -0.00000 75 3PZ 0.00004 0.00006 0.00000 -0.00003 -0.00000 76 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 77 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 78 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 79 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 80 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 82 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 84 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 85 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 86 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 87 3S -0.00000 -0.00002 -0.00000 0.00000 -0.00000 88 3PX -0.00002 -0.00002 -0.00000 -0.00000 -0.00000 89 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 90 3PZ -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 91 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 92 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 93 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 94 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 95 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 96 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 97 10 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 99 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 100 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 101 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 102 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 103 3PX 0.00000 0.00000 0.00000 -0.00000 0.00000 104 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 105 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 106 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 107 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 109 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 110 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 111 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 112 11 C 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 113 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 114 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 115 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 116 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 118 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 119 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 121 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 122 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 123 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 124 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 125 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 126 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 127 12 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 129 13 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 130 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 131 14 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 132 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 134 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 135 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 136 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 137 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 138 3S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 139 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 140 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 141 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 143 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 144 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 145 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 147 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 148 16 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 151 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 152 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 155 3PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 156 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 157 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 158 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 159 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 160 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 161 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 162 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 163 17 O 1S -0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 165 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 166 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 168 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 169 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 170 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 172 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 173 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 174 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 176 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 178 18 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 179 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 180 19 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 181 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 183 2S -0.00001 -0.00003 -0.00000 0.00000 0.00000 184 21 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 185 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 186 22 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 187 2S -0.00005 -0.00011 -0.00001 -0.00001 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 189 2S -0.00002 0.00003 0.00004 -0.00000 -0.00000 190 24 H 1S -0.00101 -0.00139 -0.00025 -0.00005 -0.00000 191 2S -0.00615 -0.00662 0.00046 -0.00025 -0.00012 192 25 H 1S 0.03219 0.00132 0.06405 0.00006 -0.00097 193 2S 0.00201 0.00067 0.06125 0.00003 -0.00245 194 26 H 1S 0.03203 0.01028 0.00368 0.04941 -0.00068 195 2S 0.00679 0.00997 0.00351 0.04778 -0.00122 196 27 H 1S 0.03206 0.03090 0.00383 0.02868 0.00110 197 2S 0.00670 0.02983 0.00359 0.02764 0.00186 11 12 13 14 15 11 4YY 0.00177 12 4ZZ -0.00021 0.00119 13 4XY -0.00000 -0.00000 0.00064 14 4XZ 0.00000 0.00000 0.00000 0.00150 15 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00029 16 2 C 1S -0.00000 0.00000 -0.00007 -0.00001 -0.00000 17 2S -0.00006 -0.00030 0.00119 0.00012 0.00004 18 2PX 0.00019 -0.00051 0.00165 0.00016 0.00011 19 2PY -0.00028 -0.00016 0.00001 0.00012 0.00000 20 2PZ 0.00001 0.00002 0.00011 0.00078 0.00020 21 3S -0.00035 -0.00058 0.00050 0.00005 0.00002 22 3PX 0.00040 -0.00077 0.00013 0.00003 0.00002 23 3PY -0.00036 0.00016 0.00004 0.00000 0.00000 24 3PZ 0.00001 -0.00011 0.00002 0.00082 0.00015 25 4XX -0.00014 0.00002 -0.00003 -0.00002 0.00000 26 4YY 0.00003 -0.00001 -0.00000 -0.00000 -0.00000 27 4ZZ -0.00000 0.00001 -0.00002 -0.00000 0.00000 28 4XY 0.00001 -0.00003 0.00002 0.00000 0.00000 29 4XZ -0.00001 -0.00001 0.00001 -0.00011 0.00001 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 0.00002 -0.00000 0.00000 -0.00000 0.00000 33 2PX 0.00001 -0.00000 -0.00000 0.00000 0.00000 34 2PY 0.00008 -0.00000 0.00003 -0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.00039 -0.00001 -0.00002 -0.00000 -0.00000 37 3PX 0.00005 -0.00001 0.00000 0.00000 0.00000 38 3PY 0.00064 0.00002 0.00005 -0.00001 0.00000 39 3PZ 0.00000 -0.00000 0.00000 0.00002 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 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 47 2S -0.00002 0.00000 0.00000 0.00000 0.00000 48 5 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 49 2S -0.00002 -0.00001 -0.00001 -0.00000 0.00000 50 6 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 51 2S -0.00002 0.00002 -0.00001 -0.00001 0.00000 52 7 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 53 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 54 2PX -0.00001 0.00000 -0.00000 0.00002 0.00000 55 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 56 2PZ -0.00000 0.00000 -0.00000 0.00001 0.00000 57 3S -0.00010 0.00006 -0.00001 -0.00000 -0.00000 58 3PX -0.00011 -0.00006 -0.00000 0.00010 0.00000 59 3PY -0.00000 -0.00000 -0.00002 0.00000 -0.00000 60 3PZ -0.00001 -0.00004 0.00000 0.00026 0.00000 61 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 63 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 64 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 65 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 67 8 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 68 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 69 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 70 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 71 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 73 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 74 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 75 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 76 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 77 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 78 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 79 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 80 4XZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 81 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 82 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 84 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 85 2PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 86 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 87 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 88 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 89 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 90 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 91 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 92 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 93 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 94 4XY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 95 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 96 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 97 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 99 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 100 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 101 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 102 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 103 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 104 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 105 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 106 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 107 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 113 2S 0.00000 0.00000 0.00000 0.00000 0.00000 114 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 115 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 -0.00000 0.00000 0.00000 -0.00000 118 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 119 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 120 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 121 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 122 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 131 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 140 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 141 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 154 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 155 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 156 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 182 20 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 183 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 184 21 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 185 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 186 22 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 187 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 188 23 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 189 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 190 24 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 191 2S 0.00007 0.00001 0.00002 -0.00001 0.00000 192 25 H 1S 0.00706 -0.00080 0.00032 -0.00000 0.00001 193 2S 0.00606 -0.00205 0.00005 -0.00000 0.00000 194 26 H 1S -0.00083 0.00433 0.00017 0.00206 0.00065 195 2S -0.00199 0.00419 0.00003 0.00053 0.00013 196 27 H 1S -0.00082 0.00090 0.00048 0.00368 0.00037 197 2S -0.00197 0.00073 0.00009 0.00088 0.00007 16 17 18 19 20 16 2 C 1S 2.05253 17 2S -0.01431 0.33473 18 2PX 0.00000 0.00000 0.41582 19 2PY 0.00000 0.00000 -0.00000 0.40268 20 2PZ 0.00000 0.00000 0.00000 -0.00000 0.33694 21 3S -0.02839 0.19699 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.05682 -0.00000 -0.00000 23 3PY 0.00000 0.00000 -0.00000 0.03029 -0.00000 24 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.12021 25 4XX -0.00131 -0.00261 0.00000 0.00000 0.00000 26 4YY -0.00129 -0.00328 0.00000 0.00000 0.00000 27 4ZZ -0.00090 -0.01075 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 -0.00020 -0.00001 -0.00141 -0.00000 32 2S -0.00020 0.00532 0.00023 0.02574 0.00001 33 2PX -0.00002 0.00041 0.00063 0.00151 0.00000 34 2PY -0.00147 0.02868 0.00104 0.08239 0.00005 35 2PZ -0.00000 0.00002 0.00000 0.00007 0.00263 36 3S -0.00016 0.00413 -0.00024 0.04697 -0.00001 37 3PX -0.00005 0.00075 0.00324 0.00122 0.00000 38 3PY -0.00178 0.02070 0.00040 0.03822 0.00004 39 3PZ -0.00000 0.00003 0.00000 0.00005 0.00606 40 4XX 0.00000 -0.00028 0.00001 -0.00079 0.00000 41 4YY -0.00015 0.00286 0.00012 0.00254 0.00001 42 4ZZ 0.00000 -0.00030 -0.00001 -0.00070 0.00000 43 4XY -0.00000 0.00007 0.00120 0.00018 0.00000 44 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00003 45 4YZ -0.00000 0.00000 0.00000 0.00001 0.00125 46 4 H 1S 0.00000 -0.00012 -0.00007 -0.00040 -0.00000 47 2S 0.00014 -0.00251 -0.00161 -0.00599 -0.00006 48 5 H 1S 0.00000 -0.00014 -0.00008 -0.00037 -0.00003 49 2S 0.00015 -0.00237 -0.00153 -0.00467 -0.00159 50 6 H 1S 0.00000 -0.00014 -0.00004 -0.00036 -0.00007 51 2S 0.00015 -0.00245 -0.00049 -0.00467 -0.00260 52 7 C 1S 0.00000 -0.00081 -0.00285 -0.00083 -0.00011 53 2S -0.00080 0.01438 0.03622 0.01098 0.00149 54 2PX -0.00269 0.03527 0.04498 0.02480 0.00660 55 2PY -0.00095 0.01238 0.02816 -0.00062 0.00106 56 2PZ -0.00010 0.00134 0.00656 0.00097 0.03130 57 3S -0.00084 0.01679 0.03137 0.00923 0.00051 58 3PX -0.00166 0.01915 0.00249 0.01506 0.00336 59 3PY -0.00058 0.00733 0.00996 0.00246 0.00009 60 3PZ -0.00007 0.00081 0.00320 0.00061 0.05140 61 4XX -0.00014 0.00165 -0.00150 0.00215 0.00024 62 4YY 0.00002 -0.00066 -0.00063 -0.00025 -0.00002 63 4ZZ 0.00001 -0.00044 -0.00074 -0.00020 0.00005 64 4XY -0.00017 0.00154 0.00213 -0.00002 0.00018 65 4XZ -0.00002 0.00016 0.00022 0.00016 0.00174 66 4YZ -0.00001 0.00006 0.00018 -0.00000 0.00040 67 8 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 68 2S 0.00000 -0.00004 -0.00016 -0.00000 -0.00001 69 2PX 0.00000 -0.00019 -0.00061 -0.00000 -0.00003 70 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 71 2PZ 0.00000 -0.00001 -0.00004 -0.00000 -0.00002 72 3S 0.00002 -0.00055 -0.00294 0.00008 -0.00014 73 3PX 0.00011 -0.00224 -0.00536 0.00007 0.00035 74 3PY 0.00000 -0.00001 0.00010 0.00009 -0.00000 75 3PZ 0.00000 -0.00004 -0.00016 0.00000 -0.00029 76 4XX -0.00000 0.00001 0.00006 0.00000 0.00001 77 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 78 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 79 4XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 80 4XZ -0.00000 0.00000 0.00001 0.00000 0.00001 81 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 82 9 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 83 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 84 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 85 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 86 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 87 3S -0.00000 0.00002 -0.00001 0.00000 -0.00008 88 3PX -0.00000 0.00000 -0.00010 0.00000 -0.00003 89 3PY 0.00000 -0.00000 -0.00002 0.00000 -0.00001 90 3PZ -0.00000 0.00001 0.00003 -0.00000 0.00002 91 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 92 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 93 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 94 4XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 95 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 96 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 97 10 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 98 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 99 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 100 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 101 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 102 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 103 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 104 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 105 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 106 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 107 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 108 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 109 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 110 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 111 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 112 11 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 113 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 114 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 115 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 116 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 117 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 118 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 119 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 120 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 121 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 122 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 123 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 124 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 125 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 128 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 130 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 131 14 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 132 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 135 2PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 137 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 138 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 139 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 140 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 141 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 142 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 145 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 146 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 147 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 154 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 155 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 156 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00000 0.00000 -0.00000 0.00000 170 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 171 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S -0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 181 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 182 20 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 183 2S -0.00000 0.00001 0.00008 0.00000 0.00006 184 21 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 185 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 186 22 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 187 2S -0.00000 0.00012 0.00045 0.00001 -0.00026 188 23 H 1S 0.00000 -0.00000 -0.00002 0.00000 -0.00000 189 2S 0.00002 -0.00034 -0.00100 0.00025 -0.00004 190 24 H 1S 0.00000 -0.00030 -0.00029 -0.00057 -0.00001 191 2S 0.00029 -0.00447 -0.00261 -0.00927 -0.00012 192 25 H 1S 0.00000 -0.00013 -0.00011 -0.00037 -0.00000 193 2S 0.00014 -0.00250 -0.00144 -0.00651 -0.00005 194 26 H 1S 0.00000 -0.00014 -0.00033 -0.00003 -0.00012 195 2S 0.00014 -0.00237 -0.00395 -0.00026 -0.00375 196 27 H 1S 0.00000 -0.00013 -0.00044 -0.00002 -0.00001 197 2S 0.00014 -0.00233 -0.00673 -0.00024 -0.00104 21 22 23 24 25 21 3S 0.19529 22 3PX 0.00000 0.03054 23 3PY 0.00000 -0.00000 0.01266 24 3PZ 0.00000 -0.00000 0.00000 0.13703 25 4XX -0.00130 0.00000 0.00000 0.00000 0.00119 26 4YY -0.00238 0.00000 0.00000 0.00000 -0.00023 27 4ZZ -0.00613 0.00000 0.00000 0.00000 0.00007 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 -0.00005 -0.00005 -0.00027 -0.00000 0.00000 32 2S 0.00354 0.00032 0.01014 0.00001 -0.00035 33 2PX 0.00037 -0.00257 0.00036 0.00000 0.00001 34 2PY 0.02947 0.00093 0.01011 0.00004 -0.00100 35 2PZ 0.00001 0.00001 0.00002 0.00114 0.00000 36 3S -0.00248 0.00014 0.01418 0.00000 -0.00199 37 3PX 0.00071 -0.00236 0.00033 0.00001 -0.00004 38 3PY 0.02313 0.00047 0.00396 0.00004 -0.00224 39 3PZ 0.00002 0.00001 0.00002 0.00607 -0.00000 40 4XX -0.00093 -0.00002 -0.00053 0.00001 0.00001 41 4YY 0.00303 0.00011 0.00064 0.00001 -0.00003 42 4ZZ -0.00095 -0.00005 -0.00055 -0.00001 0.00000 43 4XY 0.00004 0.00042 0.00000 0.00000 0.00000 44 4XZ 0.00000 -0.00000 0.00000 0.00004 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00107 -0.00000 46 4 H 1S -0.00189 -0.00057 -0.00049 -0.00001 -0.00000 47 2S -0.00703 -0.00177 -0.00244 -0.00008 0.00015 48 5 H 1S -0.00188 -0.00085 -0.00085 -0.00084 0.00001 49 2S -0.00602 -0.00313 -0.00324 -0.00536 0.00026 50 6 H 1S -0.00167 -0.00042 -0.00080 -0.00147 -0.00000 51 2S -0.00514 -0.00079 -0.00296 -0.00811 0.00005 52 7 C 1S -0.00059 -0.00121 -0.00039 -0.00007 -0.00014 53 2S 0.01338 0.01870 0.00334 0.00092 0.00163 54 2PX 0.02227 0.00136 0.00603 0.00270 -0.00130 55 2PY 0.01063 0.00632 0.00256 0.00022 0.00187 56 2PZ 0.00063 0.00241 0.00032 0.04685 0.00031 57 3S 0.01092 0.01939 0.00404 -0.00034 0.00170 58 3PX 0.01225 0.00016 0.00355 0.00292 -0.00044 59 3PY 0.00820 0.00339 0.00376 -0.00017 0.00031 60 3PZ 0.00015 0.00244 0.00025 0.08388 0.00031 61 4XX 0.00179 -0.00070 -0.00002 0.00021 0.00009 62 4YY -0.00140 -0.00031 -0.00001 0.00000 -0.00017 63 4ZZ -0.00064 -0.00038 -0.00010 -0.00015 -0.00002 64 4XY 0.00053 0.00003 -0.00001 0.00002 -0.00009 65 4XZ 0.00004 0.00001 0.00000 0.00113 0.00002 66 4YZ 0.00002 0.00002 -0.00000 0.00026 0.00000 67 8 C 1S 0.00002 0.00002 0.00000 0.00000 -0.00000 68 2S -0.00035 0.00003 0.00001 -0.00002 0.00001 69 2PX -0.00205 0.00096 -0.00012 -0.00008 0.00009 70 2PY -0.00005 0.00002 -0.00015 0.00000 -0.00000 71 2PZ -0.00009 -0.00015 -0.00000 -0.00067 0.00001 72 3S -0.00112 -0.00129 0.00002 -0.00016 0.00028 73 3PX -0.00528 -0.00082 -0.00020 0.00121 0.00066 74 3PY -0.00013 0.00012 -0.00049 -0.00000 -0.00000 75 3PZ -0.00017 -0.00021 -0.00001 -0.00179 0.00004 76 4XX 0.00011 0.00017 -0.00000 0.00010 0.00000 77 4YY -0.00009 -0.00004 0.00000 -0.00000 -0.00000 78 4ZZ 0.00007 -0.00001 0.00000 -0.00003 -0.00000 79 4XY 0.00000 0.00000 -0.00002 -0.00000 -0.00000 80 4XZ 0.00000 0.00006 -0.00000 0.00019 0.00000 81 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 82 9 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 83 2S 0.00002 -0.00003 0.00000 -0.00003 -0.00000 84 2PX 0.00009 -0.00011 0.00002 -0.00011 -0.00000 85 2PY -0.00000 -0.00002 0.00000 -0.00000 -0.00000 86 2PZ 0.00001 -0.00001 0.00000 0.00002 -0.00000 87 3S 0.00021 -0.00059 0.00000 -0.00078 -0.00001 88 3PX 0.00044 -0.00062 0.00007 -0.00026 -0.00001 89 3PY -0.00004 -0.00016 0.00003 -0.00004 -0.00000 90 3PZ 0.00007 -0.00006 0.00001 0.00032 -0.00000 91 4XX -0.00001 0.00000 -0.00000 0.00001 0.00000 92 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 93 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 94 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 97 10 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 98 2S -0.00000 0.00000 0.00000 0.00000 0.00000 99 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 100 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 101 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 102 3S -0.00000 0.00001 0.00000 0.00001 0.00000 103 3PX -0.00002 0.00001 0.00000 0.00002 0.00000 104 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 105 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 106 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 108 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 109 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 110 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 111 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 112 11 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 113 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 114 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 115 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 116 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 117 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 118 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 119 3PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 120 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 121 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 122 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 123 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 124 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 125 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 126 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 127 12 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 128 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 129 13 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 130 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 131 14 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 132 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 133 15 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 135 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 136 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 137 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 138 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 139 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 140 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 141 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 142 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 143 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 144 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 146 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 147 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 148 16 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 149 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 150 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 151 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 153 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 154 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 155 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 156 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 157 4XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 158 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 160 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 162 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 163 17 O 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 164 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 165 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 166 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 167 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 169 3PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 170 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 171 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 172 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 173 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 174 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 175 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 176 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 177 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 180 19 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 181 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 182 20 H 1S 0.00000 -0.00002 0.00000 0.00000 -0.00000 183 2S 0.00011 0.00011 0.00000 0.00072 -0.00000 184 21 H 1S 0.00000 0.00001 0.00000 -0.00000 -0.00000 185 2S -0.00002 0.00017 0.00005 0.00001 -0.00000 186 22 H 1S 0.00009 0.00006 0.00002 -0.00023 -0.00000 187 2S 0.00106 0.00084 0.00010 -0.00220 -0.00001 188 23 H 1S -0.00059 0.00003 -0.00010 -0.00002 -0.00000 189 2S -0.00330 -0.00091 -0.00025 0.00005 -0.00007 190 24 H 1S -0.00346 -0.00073 0.00228 -0.00000 -0.00003 191 2S -0.01194 -0.00274 0.00155 -0.00012 -0.00063 192 25 H 1S -0.00264 0.00038 -0.00240 0.00002 -0.00002 193 2S -0.00820 0.00003 -0.00579 -0.00001 -0.00045 194 26 H 1S -0.00110 -0.00188 0.00035 -0.00207 0.00002 195 2S -0.00314 -0.00408 0.00082 -0.01103 0.00001 196 27 H 1S -0.00117 -0.00327 0.00039 -0.00060 0.00009 197 2S -0.00374 -0.01071 0.00096 -0.00389 0.00062 26 27 28 29 30 26 4YY 0.00147 27 4ZZ 0.00008 0.00090 28 4XY -0.00000 0.00000 0.00131 29 4XZ -0.00000 0.00000 0.00000 0.00086 30 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00055 31 3 C 1S -0.00015 0.00000 -0.00000 0.00000 -0.00000 32 2S 0.00286 -0.00018 0.00007 -0.00000 0.00000 33 2PX 0.00013 -0.00001 0.00125 -0.00000 -0.00000 34 2PY 0.00225 -0.00055 0.00019 -0.00000 0.00001 35 2PZ 0.00001 0.00000 -0.00000 0.00004 0.00130 36 3S 0.00482 -0.00045 0.00007 -0.00000 0.00000 37 3PX 0.00010 -0.00003 0.00073 0.00000 -0.00000 38 3PY 0.00198 -0.00072 0.00005 -0.00000 0.00000 39 3PZ 0.00000 -0.00000 -0.00000 0.00001 0.00072 40 4XX -0.00001 0.00000 0.00000 0.00000 -0.00000 41 4YY -0.00002 -0.00005 -0.00001 0.00000 -0.00000 42 4ZZ -0.00001 0.00001 0.00001 -0.00000 -0.00000 43 4XY -0.00001 -0.00000 -0.00017 0.00000 0.00000 44 4XZ 0.00000 -0.00000 0.00000 0.00001 -0.00002 45 4YZ -0.00000 -0.00000 0.00000 -0.00001 -0.00013 46 4 H 1S 0.00004 0.00000 0.00005 -0.00000 0.00000 47 2S 0.00001 0.00004 0.00025 0.00000 0.00001 48 5 H 1S 0.00002 -0.00000 0.00004 0.00001 0.00004 49 2S -0.00014 -0.00004 0.00017 0.00006 0.00018 50 6 H 1S 0.00002 0.00001 0.00002 0.00001 0.00007 51 2S -0.00015 0.00020 0.00006 0.00006 0.00030 52 7 C 1S 0.00002 0.00001 -0.00018 -0.00002 -0.00001 53 2S -0.00068 -0.00042 0.00163 0.00015 0.00006 54 2PX -0.00075 -0.00062 0.00198 0.00022 0.00020 55 2PY -0.00028 -0.00023 -0.00003 0.00015 -0.00000 56 2PZ -0.00003 0.00006 0.00019 0.00191 0.00059 57 3S -0.00115 -0.00083 0.00064 0.00003 0.00002 58 3PX -0.00072 -0.00028 0.00002 0.00002 0.00003 59 3PY -0.00045 -0.00022 0.00009 0.00000 0.00001 60 3PZ -0.00003 -0.00017 0.00003 0.00136 0.00044 61 4XX -0.00016 -0.00002 -0.00017 0.00002 -0.00000 62 4YY 0.00005 0.00001 0.00001 -0.00001 0.00000 63 4ZZ 0.00001 0.00001 -0.00004 0.00001 0.00000 64 4XY -0.00000 -0.00004 0.00002 0.00000 0.00000 65 4XZ -0.00001 0.00001 0.00000 0.00007 0.00004 66 4YZ -0.00000 0.00000 0.00000 0.00003 0.00000 67 8 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 68 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 69 2PX -0.00000 0.00000 -0.00000 0.00001 -0.00000 70 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 71 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 72 3S -0.00010 0.00002 -0.00001 0.00001 -0.00000 73 3PX -0.00022 0.00006 -0.00001 0.00006 -0.00000 74 3PY 0.00000 -0.00000 -0.00007 -0.00000 -0.00000 75 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 76 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 78 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 79 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 80 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 82 9 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 83 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 84 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 85 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 86 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 87 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 88 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 89 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 90 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 92 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 93 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 94 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 95 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 96 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 97 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 99 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 100 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 101 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 102 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 103 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 104 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 105 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 106 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 107 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 108 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 109 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 110 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 111 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 112 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 113 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 114 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 115 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 116 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 117 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 118 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 119 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 120 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 121 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 122 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 123 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 124 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 125 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 126 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 129 13 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 130 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 131 14 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 135 2PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 136 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 137 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 138 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 139 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 140 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 141 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 154 3PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 155 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 169 3PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 170 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 171 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 181 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 182 20 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 183 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 184 21 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 185 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 186 22 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 187 2S 0.00000 -0.00000 0.00000 -0.00001 -0.00000 188 23 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 189 2S 0.00006 0.00000 -0.00001 -0.00000 -0.00000 190 24 H 1S 0.00012 0.00000 0.00009 -0.00000 0.00000 191 2S 0.00124 0.00006 0.00022 -0.00001 0.00001 192 25 H 1S 0.00008 -0.00000 0.00005 -0.00000 0.00000 193 2S 0.00086 0.00003 0.00005 -0.00001 0.00000 194 26 H 1S -0.00001 0.00002 -0.00000 0.00008 0.00000 195 2S -0.00014 0.00030 -0.00006 0.00037 -0.00001 196 27 H 1S -0.00001 -0.00000 -0.00000 0.00003 0.00000 197 2S -0.00014 -0.00012 -0.00007 0.00017 0.00000 31 32 33 34 35 31 3 C 1S 2.05071 32 2S -0.01150 0.29852 33 2PX 0.00000 0.00000 0.40630 34 2PY 0.00000 0.00000 0.00000 0.38964 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.40079 36 3S -0.03450 0.23503 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.11197 -0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.11360 0.00000 39 3PZ 0.00000 0.00000 0.00000 -0.00000 0.10608 40 4XX -0.00148 0.00024 0.00000 0.00000 0.00000 41 4YY -0.00131 -0.00300 0.00000 0.00000 0.00000 42 4ZZ -0.00146 -0.00007 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 H 1S -0.00173 0.02827 0.07274 0.02316 0.00229 47 2S -0.00055 0.01139 0.04311 0.01471 0.00133 48 5 H 1S -0.00165 0.02703 0.04114 0.00804 0.04669 49 2S -0.00062 0.01126 0.02544 0.00490 0.02998 50 6 H 1S -0.00165 0.02701 0.01322 0.00765 0.07505 51 2S -0.00061 0.01114 0.00803 0.00469 0.04793 52 7 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 -0.00005 -0.00007 -0.00018 -0.00000 54 2PX 0.00000 -0.00006 -0.00003 -0.00022 -0.00001 55 2PY 0.00000 -0.00013 -0.00011 -0.00035 -0.00000 56 2PZ 0.00000 -0.00000 -0.00001 -0.00001 -0.00003 57 3S 0.00004 -0.00089 -0.00094 -0.00192 -0.00001 58 3PX 0.00005 -0.00056 -0.00008 -0.00412 -0.00008 59 3PY 0.00000 -0.00046 0.00027 0.00139 0.00006 60 3PZ 0.00000 -0.00003 -0.00009 -0.00016 -0.00099 61 4XX 0.00000 -0.00000 -0.00000 -0.00002 0.00000 62 4YY -0.00000 0.00001 0.00001 0.00008 0.00000 63 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 64 4XY -0.00000 0.00001 0.00001 0.00004 0.00000 65 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 66 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 67 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 69 2PX 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 70 2PY 0.00000 -0.00000 -0.00001 0.00000 -0.00000 71 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 72 3S 0.00001 -0.00017 -0.00046 -0.00039 -0.00003 73 3PX 0.00001 -0.00017 0.00003 -0.00073 -0.00001 74 3PY 0.00001 -0.00014 -0.00065 0.00009 -0.00003 75 3PZ -0.00000 0.00000 0.00005 -0.00003 0.00003 76 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 77 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 78 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 79 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 80 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 81 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 82 9 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 83 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 84 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 86 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 87 3S -0.00000 -0.00000 0.00000 -0.00000 0.00000 88 3PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 89 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 90 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 91 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 92 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 93 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 94 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 95 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 96 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 97 10 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 98 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 99 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 100 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 101 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 102 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 103 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 104 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 105 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 106 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 107 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 108 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 109 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 110 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 111 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 112 11 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 113 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 114 2PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 115 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 116 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 118 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 119 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 120 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 121 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 122 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 123 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 125 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 126 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 127 12 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 128 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 129 13 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 131 14 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 132 2S -0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 136 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 137 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 138 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 139 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 141 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 154 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 155 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 171 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 182 20 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 183 2S -0.00000 0.00000 0.00001 0.00000 -0.00000 184 21 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 185 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 186 22 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 187 2S -0.00000 0.00000 0.00002 -0.00000 0.00000 188 23 H 1S 0.00000 -0.00000 -0.00001 0.00000 -0.00000 189 2S -0.00001 0.00015 0.00047 0.00013 0.00004 190 24 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 191 2S -0.00000 0.00010 0.00005 0.00046 0.00000 192 25 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 193 2S -0.00000 0.00010 0.00003 0.00036 0.00000 194 26 H 1S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 195 2S 0.00000 -0.00009 0.00006 -0.00025 0.00003 196 27 H 1S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 197 2S 0.00000 -0.00009 0.00011 -0.00025 0.00001 36 37 38 39 40 36 3S 0.32084 37 3PX 0.00000 0.09630 38 3PY 0.00000 -0.00000 0.10838 39 3PZ 0.00000 0.00000 -0.00000 0.08771 40 4XX -0.00027 0.00000 0.00000 0.00000 0.00089 41 4YY -0.00112 0.00000 0.00000 0.00000 -0.00007 42 4ZZ -0.00011 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 H 1S 0.03113 0.04766 0.01674 0.00147 0.00345 47 2S 0.00032 0.04308 0.01666 0.00129 0.00317 48 5 H 1S 0.03216 0.02814 0.00571 0.02997 0.00087 49 2S 0.00795 0.02681 0.00537 0.02904 0.00111 50 6 H 1S 0.03182 0.00945 0.00543 0.04889 -0.00058 51 2S 0.00716 0.00902 0.00521 0.04732 -0.00129 52 7 C 1S 0.00005 0.00003 0.00012 0.00000 -0.00000 53 2S -0.00129 -0.00084 -0.00227 -0.00003 0.00000 54 2PX -0.00059 0.00009 -0.00191 0.00001 0.00000 55 2PY -0.00381 -0.00052 -0.00446 -0.00001 0.00000 56 2PZ -0.00002 0.00001 -0.00004 0.00003 0.00000 57 3S -0.00379 -0.00241 -0.00516 -0.00005 0.00004 58 3PX -0.00306 -0.00000 -0.00827 -0.00003 0.00005 59 3PY -0.00296 0.00106 0.00007 0.00010 -0.00001 60 3PZ -0.00013 -0.00005 -0.00024 -0.00073 0.00002 61 4XX -0.00021 -0.00002 -0.00046 0.00000 0.00000 62 4YY 0.00046 0.00011 0.00084 0.00000 -0.00000 63 4ZZ 0.00001 -0.00000 0.00000 -0.00000 0.00000 64 4XY 0.00008 0.00004 0.00011 0.00000 -0.00000 65 4XZ -0.00000 0.00000 -0.00001 0.00001 0.00000 66 4YZ 0.00000 0.00001 0.00000 0.00002 -0.00000 67 8 C 1S 0.00001 0.00001 0.00000 0.00000 -0.00000 68 2S -0.00013 -0.00033 -0.00000 -0.00001 -0.00000 69 2PX -0.00057 -0.00064 -0.00034 -0.00002 0.00000 70 2PY -0.00006 -0.00045 0.00021 -0.00001 -0.00000 71 2PZ -0.00002 -0.00002 -0.00001 0.00001 0.00000 72 3S -0.00227 -0.00263 -0.00207 -0.00014 0.00001 73 3PX -0.00323 -0.00098 -0.00280 -0.00001 0.00004 74 3PY -0.00037 -0.00210 0.00042 -0.00009 -0.00001 75 3PZ -0.00005 0.00010 -0.00010 0.00021 0.00000 76 4XX -0.00002 -0.00000 -0.00005 0.00000 0.00000 77 4YY 0.00001 -0.00003 0.00003 -0.00000 -0.00000 78 4ZZ 0.00001 0.00002 -0.00001 0.00000 -0.00000 79 4XY 0.00000 0.00002 -0.00000 0.00000 0.00000 80 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 81 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 82 9 C 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 83 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 84 2PX 0.00000 0.00001 -0.00000 0.00000 -0.00000 85 2PY 0.00000 0.00001 -0.00000 0.00000 -0.00000 86 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 87 3S -0.00001 0.00003 -0.00002 -0.00001 -0.00000 88 3PX 0.00007 0.00006 0.00001 -0.00000 -0.00000 89 3PY 0.00004 0.00007 0.00001 -0.00000 -0.00000 90 3PZ 0.00002 0.00004 -0.00000 0.00000 -0.00000 91 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 92 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 93 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 94 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 95 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 96 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 97 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 99 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 100 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 101 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 102 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 103 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 104 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 105 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 106 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 107 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 108 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 109 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 110 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 111 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 112 11 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 113 2S 0.00000 0.00000 0.00000 0.00000 0.00000 114 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 115 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 116 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 118 3PX -0.00000 -0.00001 -0.00000 0.00000 -0.00000 119 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 122 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 123 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 124 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 125 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 126 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 127 12 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 128 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 131 14 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 132 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 133 15 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 134 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 135 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 136 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 137 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 139 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 140 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 141 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 142 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 143 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 144 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 145 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 147 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 149 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 150 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 154 3PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 157 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 160 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 161 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 162 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 163 17 O 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 164 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 166 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 167 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 168 3S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 169 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 170 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 171 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 173 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 174 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 175 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 178 18 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 180 19 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 182 20 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 183 2S 0.00002 0.00018 -0.00001 0.00002 0.00000 184 21 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 185 2S 0.00000 -0.00002 0.00002 0.00000 -0.00000 186 22 H 1S 0.00000 0.00001 -0.00000 0.00000 0.00000 187 2S 0.00012 0.00032 -0.00007 0.00002 0.00000 188 23 H 1S -0.00011 -0.00072 0.00021 -0.00002 0.00000 189 2S 0.00131 0.00043 0.00101 0.00013 0.00001 190 24 H 1S 0.00010 0.00001 0.00029 0.00000 -0.00000 191 2S 0.00211 0.00035 0.00437 0.00001 -0.00000 192 25 H 1S 0.00008 -0.00001 0.00015 -0.00000 -0.00000 193 2S 0.00168 0.00005 0.00274 0.00000 -0.00001 194 26 H 1S -0.00012 -0.00003 -0.00000 -0.00030 0.00000 195 2S -0.00002 0.00033 0.00002 -0.00071 0.00000 196 27 H 1S -0.00012 -0.00019 0.00003 -0.00012 0.00000 197 2S -0.00005 0.00004 0.00018 -0.00035 0.00003 41 42 43 44 45 41 4YY 0.00107 42 4ZZ -0.00016 0.00114 43 4XY 0.00000 -0.00000 0.00112 44 4XZ 0.00000 0.00000 0.00000 0.00109 45 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00075 46 4 H 1S -0.00042 -0.00080 0.00306 0.00025 0.00009 47 2S -0.00043 -0.00194 0.00066 0.00005 0.00002 48 5 H 1S -0.00088 0.00108 0.00065 0.00326 0.00073 49 2S -0.00158 0.00106 0.00016 0.00073 0.00020 50 6 H 1S -0.00089 0.00413 0.00020 0.00174 0.00112 51 2S -0.00165 0.00387 0.00004 0.00040 0.00029 52 7 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 53 2S -0.00000 0.00000 0.00001 0.00000 0.00000 54 2PX 0.00001 0.00000 0.00002 0.00000 0.00000 55 2PY 0.00001 0.00000 0.00004 0.00000 0.00000 56 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 57 3S -0.00005 0.00005 0.00011 -0.00000 0.00000 58 3PX -0.00009 0.00008 0.00001 0.00000 0.00002 59 3PY 0.00013 -0.00005 0.00013 -0.00000 0.00000 60 3PZ -0.00000 -0.00001 0.00002 0.00008 0.00023 61 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 62 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 63 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 64 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 68 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 69 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 70 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 71 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 72 3S -0.00001 0.00001 -0.00000 -0.00000 -0.00000 73 3PX -0.00003 0.00001 -0.00003 0.00000 0.00000 74 3PY -0.00001 0.00001 0.00002 -0.00000 0.00000 75 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 78 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 79 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 80 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 82 9 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 84 2PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 85 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 86 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 87 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 88 3PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 89 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 90 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 91 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 92 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 93 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 94 4XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 95 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 96 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 97 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 99 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 100 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 101 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 102 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 103 3PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 104 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 105 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 106 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 107 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 108 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 109 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 110 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 111 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 112 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 113 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 114 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 115 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 116 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 117 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 118 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 119 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 121 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 122 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 123 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 124 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 125 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 126 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 129 13 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 130 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 131 14 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 139 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 140 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 141 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 154 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 155 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 156 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 171 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 182 20 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 183 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 184 21 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 185 2S -0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 187 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 188 23 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 189 2S -0.00000 -0.00002 -0.00001 0.00000 -0.00000 190 24 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 191 2S 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 192 25 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 193 2S -0.00000 0.00000 -0.00001 -0.00000 -0.00000 194 26 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 195 2S -0.00002 0.00002 -0.00001 0.00001 -0.00002 196 27 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 197 2S -0.00002 -0.00000 -0.00003 0.00001 -0.00001 46 47 48 49 50 46 4 H 1S 0.21339 47 2S 0.10464 0.13529 48 5 H 1S -0.00042 -0.00588 0.21106 49 2S -0.00610 -0.01557 0.10827 0.14709 50 6 H 1S -0.00042 -0.00584 -0.00040 -0.00700 0.21119 51 2S -0.00616 -0.01576 -0.00700 -0.02244 0.10869 52 7 C 1S 0.00000 0.00002 -0.00000 -0.00000 -0.00000 53 2S -0.00001 -0.00034 0.00000 0.00012 0.00000 54 2PX -0.00000 -0.00016 0.00000 0.00003 0.00000 55 2PY -0.00002 -0.00072 0.00000 0.00020 0.00000 56 2PZ -0.00000 -0.00001 -0.00000 -0.00016 -0.00000 57 3S -0.00035 -0.00184 0.00008 0.00114 0.00005 58 3PX 0.00008 0.00013 0.00003 -0.00008 0.00017 59 3PY -0.00055 -0.00277 -0.00001 0.00038 -0.00007 60 3PZ 0.00000 0.00001 -0.00011 -0.00122 -0.00024 61 4XX 0.00000 0.00003 0.00000 -0.00000 0.00000 62 4YY 0.00000 -0.00002 -0.00000 -0.00002 -0.00000 63 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 64 4XY -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 65 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 66 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 67 8 C 1S 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 68 2S -0.00000 0.00012 0.00000 0.00000 0.00000 69 2PX -0.00000 0.00044 0.00000 0.00001 0.00000 70 2PY -0.00001 0.00006 0.00000 0.00001 0.00000 71 2PZ 0.00000 0.00002 0.00000 0.00000 0.00000 72 3S -0.00013 0.00086 0.00001 0.00016 0.00001 73 3PX 0.00044 0.00288 0.00000 -0.00007 0.00001 74 3PY -0.00092 -0.00175 0.00001 0.00015 0.00001 75 3PZ 0.00004 0.00017 0.00000 0.00002 0.00000 76 4XX -0.00000 -0.00001 -0.00000 -0.00000 0.00000 77 4YY -0.00000 0.00002 -0.00000 -0.00000 -0.00000 78 4ZZ 0.00000 -0.00002 0.00000 0.00000 -0.00000 79 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 80 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 81 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 82 9 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 83 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 84 2PX 0.00000 -0.00001 -0.00000 -0.00000 0.00000 85 2PY 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 86 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 87 3S 0.00000 -0.00003 -0.00000 -0.00001 0.00000 88 3PX -0.00000 -0.00009 0.00000 -0.00000 -0.00000 89 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 90 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 91 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 92 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 93 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 94 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 95 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 96 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 97 10 C 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 99 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 100 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 101 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 102 3S 0.00000 0.00001 0.00000 0.00000 -0.00000 103 3PX 0.00000 0.00001 0.00000 0.00000 -0.00000 104 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 105 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 106 4XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 107 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 108 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 109 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 110 4XZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 111 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 112 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 113 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 114 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 115 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 116 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 117 3S -0.00000 -0.00001 0.00000 0.00000 0.00000 118 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 119 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 120 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 121 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 122 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 123 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 124 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 125 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 126 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 127 12 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 128 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 129 13 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 130 2S -0.00000 -0.00002 0.00000 0.00000 -0.00000 131 14 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00003 -0.00000 -0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 135 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 136 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 137 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 139 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 140 3PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 141 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 146 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 147 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 148 16 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 152 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 153 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 154 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 155 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 156 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 159 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 163 17 O 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 168 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 169 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 170 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 171 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 177 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 179 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 180 19 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 181 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 182 20 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 183 2S 0.00001 0.00001 0.00000 0.00000 -0.00000 184 21 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 185 2S -0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00000 187 2S 0.00001 -0.00015 0.00000 0.00004 -0.00000 188 23 H 1S -0.00002 0.00107 0.00000 0.00001 0.00000 189 2S 0.00117 0.00607 -0.00001 -0.00020 -0.00002 190 24 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 191 2S 0.00000 -0.00004 -0.00000 -0.00017 -0.00000 192 25 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 193 2S -0.00000 -0.00018 0.00000 -0.00004 0.00000 194 26 H 1S 0.00000 0.00000 0.00000 -0.00003 -0.00000 195 2S -0.00000 -0.00005 -0.00003 -0.00081 0.00032 196 27 H 1S 0.00000 0.00000 -0.00000 0.00032 0.00000 197 2S -0.00000 -0.00004 0.00032 0.00409 -0.00003 51 52 53 54 55 51 2S 0.14792 52 7 C 1S -0.00000 2.05340 53 2S 0.00014 -0.01384 0.32500 54 2PX 0.00022 0.00000 0.00000 0.40631 55 2PY 0.00021 0.00000 0.00000 -0.00000 0.40728 56 2PZ -0.00034 0.00000 0.00000 0.00000 -0.00000 57 3S 0.00068 -0.03049 0.21024 0.00000 0.00000 58 3PX 0.00154 0.00000 0.00000 0.07640 -0.00000 59 3PY -0.00014 0.00000 0.00000 -0.00000 0.07350 60 3PZ -0.00264 0.00000 0.00000 -0.00000 -0.00000 61 4XX 0.00001 -0.00131 -0.00254 0.00000 0.00000 62 4YY -0.00002 -0.00156 0.00104 0.00000 0.00000 63 4ZZ -0.00000 -0.00089 -0.01118 0.00000 0.00000 64 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 65 4XZ -0.00001 -0.00000 0.00000 0.00000 0.00000 66 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 67 8 C 1S -0.00000 0.00000 -0.00022 -0.00113 -0.00024 68 2S 0.00000 -0.00020 0.00566 0.02173 0.00458 69 2PX 0.00001 -0.00128 0.02505 0.05251 0.01482 70 2PY 0.00001 -0.00022 0.00438 0.01299 -0.00083 71 2PZ 0.00000 -0.00005 0.00106 0.00314 0.00050 72 3S 0.00021 -0.00038 0.00785 0.02470 0.00830 73 3PX 0.00022 -0.00177 0.02296 0.01694 0.01102 74 3PY 0.00015 -0.00027 0.00233 0.00750 -0.00142 75 3PZ 0.00007 -0.00013 0.00124 0.00150 0.00035 76 4XX 0.00000 -0.00010 0.00209 0.00062 0.00129 77 4YY -0.00000 0.00000 -0.00025 -0.00034 -0.00005 78 4ZZ -0.00000 0.00000 -0.00035 -0.00064 -0.00008 79 4XY -0.00000 -0.00005 0.00082 0.00133 0.00008 80 4XZ -0.00000 -0.00001 0.00014 0.00030 0.00010 81 4YZ 0.00000 -0.00000 0.00003 0.00006 0.00000 82 9 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 83 2S 0.00000 0.00000 -0.00003 -0.00014 -0.00000 84 2PX 0.00000 0.00000 -0.00014 -0.00041 -0.00001 85 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00002 86 2PZ -0.00000 0.00000 -0.00001 -0.00009 -0.00000 87 3S 0.00004 0.00004 -0.00087 -0.00250 0.00009 88 3PX 0.00000 0.00019 -0.00211 -0.00100 -0.00016 89 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00053 90 3PZ -0.00000 0.00001 -0.00007 -0.00086 0.00003 91 4XX -0.00000 -0.00000 0.00002 0.00010 0.00000 92 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 93 4ZZ -0.00000 0.00000 -0.00000 -0.00001 -0.00000 94 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 95 4XZ -0.00000 -0.00000 0.00000 0.00002 0.00000 96 4YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 97 10 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 98 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 99 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 100 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 101 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 102 3S -0.00000 -0.00000 0.00001 0.00007 0.00000 103 3PX -0.00000 -0.00000 0.00005 0.00016 0.00001 104 3PY 0.00000 0.00000 -0.00000 0.00001 0.00000 105 3PZ -0.00000 -0.00000 -0.00000 -0.00001 0.00000 106 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 107 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 108 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 110 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 111 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 112 11 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 113 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 114 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 115 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 116 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 118 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 119 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 120 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 121 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 122 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 124 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 125 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 126 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 127 12 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 128 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 129 13 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 130 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 131 14 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 132 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 133 15 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 134 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 135 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 136 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 137 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 138 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 139 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 140 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 141 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 142 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 143 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 144 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 147 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 154 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 155 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 156 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 157 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 163 17 O 1S -0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 170 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 171 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 172 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 180 19 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 181 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 182 20 H 1S 0.00000 0.00000 -0.00000 -0.00001 -0.00000 183 2S -0.00005 0.00000 -0.00014 -0.00036 -0.00002 184 21 H 1S 0.00000 0.00000 -0.00000 -0.00002 -0.00000 185 2S 0.00000 0.00001 -0.00029 -0.00053 0.00025 186 22 H 1S -0.00000 0.00000 -0.00017 -0.00038 -0.00000 187 2S -0.00002 0.00016 -0.00269 -0.00454 -0.00001 188 23 H 1S 0.00001 0.00000 -0.00014 -0.00018 -0.00031 189 2S -0.00020 0.00015 -0.00297 -0.00217 -0.00590 190 24 H 1S -0.00000 -0.00190 0.03031 0.00005 0.09744 191 2S -0.00018 -0.00095 0.01100 0.00008 0.06533 192 25 H 1S -0.00000 0.00000 -0.00001 -0.00004 -0.00001 193 2S -0.00003 0.00002 -0.00052 -0.00101 0.00039 194 26 H 1S 0.00032 -0.00000 0.00000 0.00000 0.00000 195 2S 0.00408 -0.00000 0.00015 0.00055 0.00000 196 27 H 1S -0.00003 -0.00000 0.00000 0.00000 0.00000 197 2S -0.00081 -0.00000 0.00014 0.00020 0.00000 56 57 58 59 60 56 2PZ 0.34911 57 3S 0.00000 0.22699 58 3PX -0.00000 0.00000 0.05917 59 3PY -0.00000 0.00000 -0.00000 0.04782 60 3PZ 0.14098 0.00000 -0.00000 -0.00000 0.18026 61 4XX 0.00000 -0.00224 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00165 0.00000 0.00000 0.00000 63 4ZZ 0.00000 -0.00711 0.00000 0.00000 0.00000 64 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 67 8 C 1S -0.00003 0.00031 -0.00059 -0.00008 -0.00000 68 2S 0.00064 -0.00016 0.01331 0.00192 0.00034 69 2PX 0.00287 0.02103 0.01133 0.00275 0.00106 70 2PY 0.00044 0.00408 0.00591 -0.00197 0.00025 71 2PZ 0.00179 0.00085 0.00113 0.00003 -0.00014 72 3S 0.00062 -0.00954 0.00668 0.00278 -0.00008 73 3PX 0.00304 0.01715 0.00165 0.00290 0.00242 74 3PY 0.00046 0.00153 0.00357 -0.00143 0.00041 75 3PZ 0.00228 0.00098 0.00059 0.00002 -0.00051 76 4XX 0.00028 0.00262 0.00036 0.00046 0.00031 77 4YY -0.00002 -0.00072 -0.00028 -0.00031 -0.00005 78 4ZZ 0.00002 -0.00087 -0.00080 0.00002 -0.00011 79 4XY 0.00009 0.00037 0.00013 0.00019 0.00002 80 4XZ 0.00096 0.00007 0.00005 0.00002 0.00111 81 4YZ 0.00011 0.00001 0.00002 0.00001 0.00008 82 9 C 1S 0.00000 0.00005 0.00007 -0.00000 0.00006 83 2S -0.00002 -0.00076 -0.00154 0.00002 -0.00075 84 2PX -0.00002 -0.00231 -0.00264 -0.00006 -0.00089 85 2PY 0.00000 -0.00014 0.00011 -0.00018 0.00006 86 2PZ 0.00000 -0.00011 0.00003 0.00004 0.00009 87 3S -0.00188 -0.00308 -0.00706 0.00019 -0.00806 88 3PX 0.00059 -0.00582 -0.00186 -0.00016 0.00029 89 3PY 0.00010 -0.00024 0.00023 -0.00106 0.00029 90 3PZ 0.00007 0.00004 -0.00036 0.00010 0.00117 91 4XX 0.00001 0.00024 0.00047 0.00000 0.00014 92 4YY -0.00000 -0.00006 -0.00004 -0.00000 -0.00000 93 4ZZ -0.00000 -0.00004 -0.00017 -0.00000 -0.00000 94 4XY 0.00000 0.00001 0.00002 -0.00001 0.00000 95 4XZ 0.00000 -0.00003 0.00003 -0.00000 -0.00000 96 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 97 10 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 98 2S -0.00000 0.00001 0.00003 -0.00000 0.00000 99 2PX -0.00000 0.00007 0.00013 0.00001 0.00000 100 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 101 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 102 3S 0.00001 0.00023 0.00067 0.00000 0.00017 103 3PX 0.00002 0.00067 0.00100 0.00007 0.00023 104 3PY 0.00000 -0.00001 0.00007 0.00002 0.00004 105 3PZ 0.00000 0.00007 0.00001 0.00002 0.00007 106 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 108 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 109 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 110 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 111 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 112 11 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 113 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 114 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 115 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 116 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 -0.00001 0.00002 0.00001 0.00000 118 3PX -0.00000 0.00001 0.00004 0.00001 -0.00001 119 3PY 0.00000 -0.00003 -0.00000 0.00000 0.00001 120 3PZ 0.00000 0.00001 0.00002 0.00000 0.00001 121 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 122 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 123 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 124 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 125 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 126 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 127 12 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 128 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00000 0.00002 0.00002 -0.00000 -0.00000 131 14 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 132 2S -0.00000 -0.00001 -0.00002 -0.00001 -0.00000 133 15 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 134 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 135 2PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 136 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 137 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 138 3S -0.00000 -0.00000 -0.00004 0.00000 -0.00000 139 3PX -0.00000 0.00001 0.00000 -0.00000 -0.00001 140 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 141 3PZ -0.00000 0.00001 0.00001 -0.00000 -0.00000 142 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 143 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 144 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 145 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 146 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 152 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 153 3S -0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 156 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 158 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 159 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 160 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 162 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 163 17 O 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 164 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 167 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 168 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 171 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 174 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 177 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 178 18 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 179 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 180 19 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 181 2S 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 182 20 H 1S -0.00001 -0.00008 -0.00054 -0.00007 -0.00022 183 2S 0.00043 0.00026 -0.00121 -0.00008 0.00242 184 21 H 1S -0.00000 -0.00051 -0.00010 -0.00005 -0.00000 185 2S 0.00012 -0.00256 0.00019 0.00034 0.00074 186 22 H 1S -0.00012 -0.00174 -0.00126 0.00009 -0.00227 187 2S -0.00272 -0.00364 -0.00349 0.00029 -0.00922 188 23 H 1S -0.00001 -0.00221 -0.00139 -0.00195 -0.00021 189 2S -0.00007 -0.00798 -0.00276 -0.00757 -0.00024 190 24 H 1S 0.00000 0.03600 -0.00023 0.04602 -0.00001 191 2S 0.00001 0.01536 -0.00025 0.04218 -0.00000 192 25 H 1S -0.00000 -0.00052 0.00052 -0.00051 0.00001 193 2S -0.00004 -0.00205 -0.00051 -0.00077 -0.00005 194 26 H 1S -0.00000 0.00007 0.00002 0.00000 -0.00033 195 2S -0.00045 0.00085 0.00130 0.00000 -0.00355 196 27 H 1S -0.00000 0.00009 -0.00029 0.00000 -0.00006 197 2S -0.00010 0.00128 -0.00190 0.00002 -0.00071 61 62 63 64 65 61 4XX 0.00140 62 4YY -0.00036 0.00205 63 4ZZ 0.00009 -0.00003 0.00098 64 4XY 0.00000 0.00000 0.00000 0.00084 65 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00079 66 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 67 8 C 1S -0.00009 0.00001 0.00000 -0.00005 -0.00001 68 2S 0.00184 -0.00031 -0.00015 0.00079 0.00012 69 2PX 0.00008 -0.00055 -0.00044 0.00151 0.00016 70 2PY 0.00121 -0.00006 -0.00004 0.00009 0.00009 71 2PZ 0.00020 -0.00001 0.00002 0.00009 0.00089 72 3S 0.00336 -0.00176 -0.00031 0.00048 0.00007 73 3PX 0.00061 -0.00146 -0.00063 0.00022 0.00001 74 3PY 0.00087 -0.00048 -0.00001 0.00017 0.00002 75 3PZ 0.00013 -0.00003 -0.00008 0.00002 0.00053 76 4XX 0.00005 -0.00008 -0.00005 -0.00004 -0.00001 77 4YY -0.00011 0.00003 0.00000 -0.00000 -0.00000 78 4ZZ 0.00001 -0.00001 0.00001 -0.00003 -0.00001 79 4XY -0.00005 -0.00000 -0.00002 -0.00000 -0.00000 80 4XZ -0.00001 -0.00001 -0.00000 0.00000 -0.00012 81 4YZ -0.00001 -0.00000 0.00000 -0.00000 0.00002 82 9 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 83 2S 0.00001 -0.00000 -0.00000 -0.00000 0.00001 84 2PX 0.00006 -0.00000 -0.00000 -0.00000 0.00004 85 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 86 2PZ 0.00002 -0.00000 -0.00000 -0.00000 0.00000 87 3S 0.00017 -0.00004 -0.00003 -0.00001 0.00013 88 3PX 0.00029 -0.00007 0.00001 -0.00001 0.00013 89 3PY -0.00000 -0.00000 0.00000 0.00001 -0.00001 90 3PZ 0.00015 -0.00002 -0.00003 -0.00001 -0.00002 91 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 92 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 93 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 94 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 95 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 96 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 97 10 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 98 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 99 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 100 2PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 101 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 102 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 103 3PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 104 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 105 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 106 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 107 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 108 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 109 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 110 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 111 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 112 11 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 113 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 114 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 115 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 116 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 117 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 118 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 121 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 122 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 123 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 124 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 125 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 126 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 127 12 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 128 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 129 13 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 130 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 131 14 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 132 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 135 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 137 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 138 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 139 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 140 3PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 141 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 142 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 143 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 144 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 145 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 146 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 147 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 150 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 151 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 152 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 153 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 154 3PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 155 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 156 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 169 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 170 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 171 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 180 19 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 181 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 183 2S -0.00003 -0.00001 0.00005 -0.00001 -0.00005 184 21 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00008 0.00006 0.00001 -0.00001 0.00000 186 22 H 1S 0.00004 -0.00001 0.00002 -0.00000 0.00009 187 2S 0.00006 -0.00020 0.00031 -0.00003 0.00035 188 23 H 1S -0.00002 0.00006 -0.00000 0.00007 -0.00000 189 2S -0.00049 0.00093 0.00001 0.00019 -0.00001 190 24 H 1S -0.00130 0.00801 -0.00075 0.00002 -0.00000 191 2S -0.00391 0.00758 -0.00087 0.00000 -0.00000 192 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2S -0.00009 0.00010 -0.00000 0.00000 -0.00000 194 26 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 195 2S -0.00002 0.00001 -0.00001 0.00000 -0.00002 196 27 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 197 2S -0.00004 0.00000 0.00000 0.00000 -0.00000 66 67 68 69 70 66 4YZ 0.00015 67 8 C 1S -0.00000 2.05105 68 2S 0.00002 -0.01167 0.30467 69 2PX 0.00008 0.00000 0.00000 0.38685 70 2PY 0.00001 0.00000 0.00000 -0.00000 0.40861 71 2PZ 0.00006 0.00000 0.00000 0.00000 -0.00000 72 3S 0.00001 -0.03538 0.23408 0.00000 0.00000 73 3PX 0.00003 0.00000 0.00000 0.10482 0.00000 74 3PY 0.00001 0.00000 0.00000 -0.00000 0.10511 75 3PZ 0.00004 0.00000 0.00000 0.00000 -0.00000 76 4XX -0.00000 -0.00121 -0.00402 0.00000 0.00000 77 4YY -0.00000 -0.00140 -0.00030 0.00000 0.00000 78 4ZZ 0.00000 -0.00131 -0.00216 0.00000 0.00000 79 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 80 4XZ 0.00001 -0.00000 0.00000 0.00000 0.00000 81 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 82 9 C 1S -0.00000 0.00000 -0.00013 -0.00043 -0.00006 83 2S 0.00000 -0.00012 0.00331 0.00920 0.00132 84 2PX 0.00000 -0.00042 0.00894 0.00784 0.00243 85 2PY 0.00000 -0.00006 0.00133 0.00247 -0.00053 86 2PZ 0.00000 -0.00058 0.01250 0.02137 0.00289 87 3S -0.00000 0.00023 0.00165 0.00998 0.00116 88 3PX 0.00000 -0.00041 0.00639 -0.00060 0.00177 89 3PY 0.00000 -0.00011 0.00138 0.00160 -0.00029 90 3PZ -0.00000 -0.00075 0.01088 0.01265 0.00207 91 4XX 0.00000 -0.00001 0.00028 -0.00057 0.00010 92 4YY 0.00000 0.00000 -0.00022 -0.00020 0.00003 93 4ZZ 0.00000 -0.00002 0.00050 0.00125 0.00024 94 4XY -0.00000 -0.00001 0.00012 0.00008 0.00022 95 4XZ 0.00000 -0.00006 0.00122 0.00043 0.00021 96 4YZ -0.00000 -0.00001 0.00016 0.00018 0.00033 97 10 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 98 2S -0.00000 0.00000 -0.00003 -0.00014 -0.00000 99 2PX 0.00000 0.00000 -0.00012 -0.00041 0.00000 100 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 101 2PZ 0.00000 0.00000 -0.00001 0.00003 0.00000 102 3S 0.00000 0.00003 -0.00047 -0.00194 -0.00006 103 3PX 0.00000 0.00010 -0.00179 -0.00336 -0.00008 104 3PY -0.00000 -0.00000 0.00003 -0.00001 -0.00015 105 3PZ 0.00000 0.00002 -0.00032 0.00003 0.00002 106 4XX 0.00000 -0.00000 0.00001 0.00005 -0.00000 107 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 108 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 109 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 110 4XZ 0.00000 -0.00000 0.00001 0.00003 -0.00000 111 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 112 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 113 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 114 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 115 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 116 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 117 3S -0.00000 0.00000 -0.00001 -0.00008 -0.00005 118 3PX -0.00000 0.00000 -0.00001 -0.00001 0.00009 119 3PY -0.00000 -0.00000 0.00002 0.00003 0.00008 120 3PZ 0.00000 0.00000 -0.00005 -0.00012 -0.00006 121 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 122 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 123 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 124 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 125 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 126 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 -0.00000 0.00000 0.00000 0.00001 129 13 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 130 2S -0.00000 -0.00000 0.00001 0.00010 -0.00004 131 14 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 132 2S -0.00000 0.00000 -0.00000 0.00001 -0.00001 133 15 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 134 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 135 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 136 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 137 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 138 3S -0.00000 -0.00000 0.00001 0.00007 0.00001 139 3PX 0.00000 0.00000 -0.00006 -0.00022 -0.00003 140 3PY -0.00000 -0.00000 -0.00000 0.00002 -0.00000 141 3PZ -0.00000 0.00000 -0.00004 -0.00013 -0.00001 142 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 143 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 144 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 145 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 146 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 150 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 151 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 152 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 153 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 154 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 155 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 156 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 157 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 161 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 163 17 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 168 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 169 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 170 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 171 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 180 19 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 -0.00000 0.00000 0.00002 0.00000 182 20 H 1S 0.00000 0.00000 -0.00013 -0.00001 -0.00000 183 2S 0.00000 0.00014 -0.00226 -0.00018 -0.00008 184 21 H 1S 0.00000 0.00000 -0.00012 -0.00010 -0.00025 185 2S 0.00001 0.00012 -0.00211 -0.00114 -0.00438 186 22 H 1S -0.00000 -0.00165 0.02706 0.01281 0.01383 187 2S -0.00000 -0.00046 0.00938 0.00764 0.00917 188 23 H 1S 0.00000 -0.00172 0.02765 0.00018 0.09794 189 2S 0.00002 -0.00031 0.00823 0.00007 0.06042 190 24 H 1S 0.00000 0.00000 -0.00016 -0.00029 -0.00034 191 2S 0.00000 0.00021 -0.00338 -0.00456 -0.00547 192 25 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 193 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 194 26 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 195 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 196 27 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 197 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 71 72 73 74 75 71 2PZ 0.38770 72 3S 0.00000 0.32589 73 3PX 0.00000 0.00000 0.09584 74 3PY -0.00000 0.00000 0.00000 0.08754 75 3PZ 0.09781 0.00000 0.00000 -0.00000 0.07843 76 4XX 0.00000 -0.00263 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00004 0.00000 0.00000 0.00000 78 4ZZ 0.00000 -0.00141 0.00000 0.00000 0.00000 79 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 82 9 C 1S -0.00059 0.00031 -0.00038 -0.00007 -0.00078 83 2S 0.01251 0.00110 0.00634 0.00123 0.01050 84 2PX 0.02119 0.00892 -0.00064 0.00152 0.01241 85 2PY 0.00306 0.00193 0.00146 -0.00122 0.00235 86 2PZ 0.01739 0.01447 0.01454 0.00158 0.00309 87 3S 0.01737 -0.00861 0.00307 0.00099 0.01496 88 3PX 0.01439 0.00366 -0.00439 0.00135 0.01021 89 3PY 0.00239 0.00200 0.00117 -0.00162 0.00212 90 3PZ 0.00333 0.00943 0.01004 0.00130 -0.00450 91 4XX 0.00072 0.00104 -0.00070 0.00008 0.00094 92 4YY -0.00025 -0.00095 -0.00032 -0.00019 -0.00067 93 4ZZ -0.00075 0.00060 0.00108 0.00019 -0.00071 94 4XY 0.00023 0.00007 -0.00000 0.00019 0.00007 95 4XZ 0.00087 0.00086 -0.00000 0.00007 0.00008 96 4YZ 0.00018 0.00008 0.00007 0.00028 0.00001 97 10 C 1S 0.00000 0.00003 0.00019 0.00000 0.00001 98 2S -0.00001 -0.00055 -0.00234 0.00000 -0.00006 99 2PX -0.00007 -0.00182 -0.00203 0.00002 -0.00081 100 2PY 0.00000 0.00002 -0.00009 -0.00024 0.00003 101 2PZ 0.00001 -0.00129 0.00018 0.00005 -0.00001 102 3S -0.00007 -0.00121 -0.00477 -0.00012 -0.00011 103 3PX -0.00052 -0.00497 -0.00448 -0.00007 -0.00115 104 3PY 0.00003 0.00009 -0.00000 -0.00051 0.00007 105 3PZ 0.00000 -0.00460 -0.00017 0.00012 0.00035 106 4XX 0.00002 0.00011 0.00025 -0.00000 0.00012 107 4YY -0.00000 -0.00002 -0.00003 -0.00000 -0.00000 108 4ZZ -0.00000 -0.00002 -0.00001 0.00000 -0.00003 109 4XY -0.00000 -0.00000 -0.00001 -0.00002 -0.00000 110 4XZ 0.00000 0.00009 0.00016 -0.00000 -0.00002 111 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 112 11 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 113 2S -0.00000 -0.00008 -0.00001 -0.00011 -0.00002 114 2PX -0.00000 -0.00028 0.00017 -0.00036 -0.00000 115 2PY -0.00000 -0.00004 0.00004 -0.00000 -0.00008 116 2PZ -0.00000 -0.00004 0.00015 -0.00000 0.00000 117 3S 0.00005 -0.00013 0.00003 -0.00042 0.00012 118 3PX 0.00007 -0.00108 0.00088 -0.00040 0.00018 119 3PY -0.00002 -0.00020 0.00054 0.00009 -0.00028 120 3PZ -0.00000 -0.00027 0.00019 -0.00010 0.00000 121 4XX 0.00000 0.00001 -0.00001 0.00003 0.00000 122 4YY -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 123 4ZZ -0.00000 -0.00000 0.00001 -0.00001 0.00000 124 4XY -0.00000 -0.00000 -0.00001 0.00001 -0.00000 125 4XZ 0.00000 0.00000 0.00001 0.00000 -0.00000 126 4YZ 0.00000 -0.00001 -0.00000 0.00000 0.00000 127 12 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 128 2S 0.00000 0.00003 -0.00005 0.00010 0.00000 129 13 H 1S 0.00000 -0.00006 0.00027 -0.00016 -0.00000 130 2S 0.00001 0.00055 0.00175 -0.00039 0.00001 131 14 H 1S 0.00000 -0.00003 -0.00004 -0.00005 0.00002 132 2S -0.00001 -0.00056 -0.00040 -0.00015 0.00005 133 15 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 134 2S 0.00000 0.00002 -0.00001 -0.00000 0.00002 135 2PX 0.00000 -0.00002 -0.00013 -0.00003 0.00005 136 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 137 2PZ 0.00000 -0.00008 -0.00009 -0.00002 0.00002 138 3S 0.00000 0.00018 0.00010 0.00005 0.00009 139 3PX -0.00003 -0.00087 -0.00150 -0.00025 0.00001 140 3PY -0.00000 -0.00002 0.00001 -0.00000 -0.00001 141 3PZ 0.00003 -0.00083 -0.00068 -0.00013 0.00033 142 4XX -0.00000 -0.00001 -0.00002 -0.00000 -0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 145 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 146 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 147 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 149 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 150 2PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 153 3S -0.00000 -0.00001 -0.00003 -0.00000 -0.00000 154 3PX -0.00000 -0.00002 -0.00004 -0.00000 -0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 157 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 158 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 159 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 161 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 162 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 163 17 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 165 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 166 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 167 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 168 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 169 3PX 0.00000 0.00000 0.00000 -0.00000 0.00000 170 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 171 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 172 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 173 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 174 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 176 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 177 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 181 2S 0.00000 0.00001 0.00020 0.00002 0.00001 182 20 H 1S -0.00044 -0.00219 -0.00066 -0.00002 -0.00352 183 2S -0.00759 -0.00928 -0.00087 -0.00009 -0.01360 184 21 H 1S -0.00014 -0.00228 -0.00100 -0.00173 -0.00198 185 2S -0.00188 -0.00782 -0.00157 -0.00762 -0.00510 186 22 H 1S 0.07016 0.03468 0.00960 0.00883 0.04377 187 2S 0.04556 0.00554 0.00888 0.00868 0.04414 188 23 H 1S 0.00085 0.03595 0.00002 0.06198 0.00061 189 2S 0.00047 0.00506 -0.00004 0.05817 0.00057 190 24 H 1S -0.00001 -0.00411 -0.00400 -0.00229 -0.00008 191 2S -0.00017 -0.01797 -0.01271 -0.00947 -0.00043 192 25 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 193 2S 0.00000 0.00001 -0.00000 -0.00001 0.00000 194 26 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 195 2S 0.00000 -0.00005 -0.00006 -0.00000 0.00000 196 27 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 197 2S 0.00000 -0.00005 -0.00016 -0.00001 0.00000 76 77 78 79 80 76 4XX 0.00135 77 4YY -0.00022 0.00187 78 4ZZ -0.00007 -0.00019 0.00144 79 4XY 0.00000 -0.00000 -0.00000 0.00057 80 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00122 81 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 82 9 C 1S -0.00001 0.00000 -0.00002 -0.00001 -0.00007 83 2S 0.00030 -0.00023 0.00049 0.00013 0.00129 84 2PX -0.00049 -0.00023 0.00118 0.00008 0.00055 85 2PY 0.00010 0.00003 0.00023 0.00024 0.00022 86 2PZ 0.00075 -0.00027 -0.00076 0.00025 0.00100 87 3S 0.00116 -0.00088 0.00033 0.00007 0.00105 88 3PX -0.00060 -0.00043 0.00101 -0.00000 -0.00000 89 3PY 0.00007 -0.00016 0.00015 0.00021 0.00009 90 3PZ 0.00101 -0.00065 -0.00080 0.00006 0.00010 91 4XX 0.00003 -0.00001 -0.00011 -0.00001 -0.00002 92 4YY -0.00002 0.00002 -0.00002 -0.00000 -0.00001 93 4ZZ -0.00009 -0.00003 0.00009 0.00000 -0.00004 94 4XY -0.00001 -0.00000 0.00001 -0.00000 0.00001 95 4XZ -0.00001 -0.00001 -0.00003 0.00001 0.00002 96 4YZ -0.00001 -0.00001 -0.00003 -0.00001 0.00001 97 10 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 98 2S 0.00002 -0.00000 -0.00000 0.00000 0.00000 99 2PX 0.00008 -0.00000 -0.00001 0.00000 0.00001 100 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 101 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 102 3S 0.00020 -0.00005 -0.00004 0.00001 -0.00004 103 3PX 0.00043 -0.00010 -0.00011 0.00001 -0.00003 104 3PY -0.00000 0.00000 -0.00000 -0.00001 -0.00000 105 3PZ 0.00005 0.00001 -0.00000 -0.00000 -0.00000 106 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 107 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 108 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 109 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 110 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 111 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 11 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 113 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 114 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 115 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 116 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 117 3S -0.00001 0.00001 -0.00000 -0.00000 -0.00000 118 3PX -0.00001 0.00002 -0.00001 0.00001 0.00000 119 3PY -0.00004 0.00002 0.00000 -0.00000 -0.00000 120 3PZ 0.00001 -0.00001 0.00000 0.00001 -0.00000 121 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 122 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 123 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 124 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 125 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 126 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 127 12 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 128 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 129 13 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 130 2S -0.00001 -0.00000 0.00001 0.00000 0.00000 131 14 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 132 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 133 15 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 134 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 135 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 136 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 137 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 138 3S -0.00000 -0.00000 0.00000 -0.00000 0.00000 139 3PX 0.00001 0.00000 -0.00000 -0.00000 -0.00000 140 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 141 3PZ 0.00001 0.00000 0.00000 -0.00000 0.00000 142 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 143 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 144 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 145 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 146 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 150 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 151 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 153 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 154 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 155 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 156 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 159 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 160 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 161 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 162 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 163 17 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 165 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 169 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 170 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 171 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 172 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 173 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 175 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 176 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 177 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 178 18 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 179 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 180 19 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 181 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 182 20 H 1S -0.00001 -0.00000 0.00012 0.00000 0.00000 183 2S -0.00024 -0.00018 0.00105 0.00000 -0.00010 184 21 H 1S -0.00001 0.00004 -0.00001 0.00003 0.00001 185 2S -0.00024 0.00071 -0.00022 0.00009 -0.00003 186 22 H 1S -0.00092 -0.00078 0.00402 0.00031 0.00169 187 2S -0.00153 -0.00187 0.00466 0.00006 0.00039 188 23 H 1S -0.00105 0.00765 -0.00096 0.00002 -0.00000 189 2S -0.00262 0.00673 -0.00236 0.00000 0.00000 190 24 H 1S -0.00001 0.00005 -0.00000 0.00005 -0.00000 191 2S -0.00044 0.00082 -0.00004 0.00012 -0.00001 192 25 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 193 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 194 26 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 195 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 196 27 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 197 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 81 82 83 84 85 81 4YZ 0.00060 82 9 C 1S -0.00001 2.05175 83 2S 0.00015 -0.01187 0.30587 84 2PX 0.00016 0.00000 0.00000 0.38640 85 2PY 0.00032 0.00000 0.00000 -0.00000 0.40783 86 2PZ 0.00016 0.00000 0.00000 0.00000 -0.00000 87 3S 0.00008 -0.03652 0.24544 0.00000 0.00000 88 3PX 0.00006 0.00000 0.00000 0.10107 -0.00000 89 3PY 0.00024 0.00000 0.00000 -0.00000 0.10486 90 3PZ 0.00002 0.00000 0.00000 -0.00000 -0.00000 91 4XX -0.00000 -0.00121 -0.00426 0.00000 0.00000 92 4YY -0.00001 -0.00142 -0.00013 0.00000 0.00000 93 4ZZ -0.00003 -0.00133 -0.00197 0.00000 0.00000 94 4XY -0.00001 0.00000 -0.00000 0.00000 0.00000 95 4XZ 0.00001 -0.00000 0.00000 0.00000 0.00000 96 4YZ -0.00002 0.00000 -0.00000 0.00000 0.00000 97 10 C 1S -0.00000 0.00000 -0.00019 -0.00127 -0.00015 98 2S 0.00000 -0.00020 0.00520 0.02545 0.00293 99 2PX 0.00000 -0.00121 0.02287 0.06244 0.00941 100 2PY -0.00000 -0.00014 0.00251 0.00956 -0.00085 101 2PZ -0.00000 -0.00004 0.00071 0.00347 0.00034 102 3S 0.00000 0.00044 -0.00158 0.02339 0.00436 103 3PX 0.00000 -0.00056 0.01192 0.01520 0.00356 104 3PY 0.00000 0.00020 -0.00083 -0.00050 -0.00097 105 3PZ 0.00000 -0.00000 0.00030 0.00138 0.00017 106 4XX -0.00000 -0.00010 0.00218 0.00067 0.00084 107 4YY 0.00000 0.00001 -0.00035 -0.00078 0.00001 108 4ZZ 0.00000 0.00000 -0.00016 -0.00045 -0.00004 109 4XY 0.00000 -0.00004 0.00065 0.00137 0.00034 110 4XZ -0.00000 -0.00001 0.00013 0.00025 0.00006 111 4YZ -0.00000 -0.00000 0.00002 0.00007 0.00001 112 11 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 113 2S -0.00000 0.00000 -0.00003 -0.00006 -0.00010 114 2PX -0.00000 0.00000 -0.00008 -0.00009 -0.00012 115 2PY -0.00000 0.00000 -0.00010 -0.00027 -0.00019 116 2PZ 0.00000 0.00000 -0.00001 -0.00000 -0.00001 117 3S -0.00000 0.00007 -0.00113 -0.00184 -0.00241 118 3PX -0.00000 0.00008 -0.00118 -0.00066 -0.00087 119 3PY -0.00000 0.00013 -0.00192 -0.00367 -0.00197 120 3PZ -0.00000 0.00000 -0.00007 0.00000 -0.00014 121 4XX 0.00000 -0.00000 0.00000 0.00001 0.00001 122 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 123 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 124 4XY 0.00000 -0.00000 0.00001 0.00004 0.00003 125 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 126 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 -0.00000 0.00007 0.00017 0.00012 129 13 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 130 2S -0.00000 -0.00000 0.00000 0.00001 0.00002 131 14 H 1S 0.00000 0.00000 -0.00001 -0.00001 -0.00002 132 2S 0.00000 0.00001 -0.00028 -0.00037 -0.00021 133 15 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 134 2S -0.00000 0.00000 -0.00007 -0.00028 -0.00002 135 2PX -0.00000 0.00000 -0.00025 -0.00072 -0.00002 136 2PY 0.00000 0.00000 -0.00000 -0.00006 -0.00002 137 2PZ -0.00000 0.00000 -0.00001 -0.00005 -0.00000 138 3S -0.00000 0.00003 -0.00053 -0.00274 -0.00039 139 3PX -0.00000 0.00002 -0.00038 0.00224 0.00038 140 3PY -0.00000 -0.00001 0.00017 -0.00034 -0.00040 141 3PZ 0.00000 0.00000 0.00003 -0.00013 0.00002 142 4XX -0.00000 -0.00000 0.00003 0.00017 -0.00000 143 4YY 0.00000 0.00000 -0.00000 -0.00002 -0.00000 144 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 145 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 146 4XZ 0.00000 -0.00000 0.00000 0.00001 0.00000 147 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 149 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 150 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 152 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 153 3S 0.00000 -0.00000 0.00002 0.00011 0.00000 154 3PX 0.00000 -0.00000 0.00003 0.00020 0.00000 155 3PY -0.00000 0.00000 -0.00000 -0.00001 -0.00000 156 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 158 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 159 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 160 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 161 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 162 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 163 17 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 164 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 165 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 166 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 168 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 169 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 170 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 171 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 172 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 173 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 174 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 175 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 177 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 179 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 180 19 H 1S -0.00000 0.00000 -0.00001 -0.00004 -0.00001 181 2S 0.00000 0.00002 -0.00051 -0.00158 0.00028 182 20 H 1S 0.00000 -0.00166 0.02714 0.01103 0.01745 183 2S 0.00002 -0.00039 0.00826 0.00674 0.01107 184 21 H 1S 0.00005 -0.00169 0.02769 0.00000 0.09674 185 2S 0.00019 -0.00042 0.00882 0.00002 0.06088 186 22 H 1S 0.00164 0.00000 -0.00013 -0.00002 -0.00000 187 2S 0.00035 0.00015 -0.00250 -0.00025 -0.00002 188 23 H 1S 0.00022 0.00000 -0.00012 -0.00013 -0.00024 189 2S 0.00006 0.00013 -0.00221 -0.00133 -0.00411 190 24 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 191 2S 0.00001 0.00000 -0.00004 -0.00012 0.00008 192 25 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 193 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 194 26 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 195 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 196 27 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 197 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 86 87 88 89 90 86 2PZ 0.39112 87 3S 0.00000 0.35517 88 3PX 0.00000 0.00000 0.08840 89 3PY -0.00000 0.00000 -0.00000 0.08675 90 3PZ 0.10306 0.00000 0.00000 -0.00000 0.08828 91 4XX 0.00000 -0.00317 0.00000 0.00000 0.00000 92 4YY 0.00000 0.00023 0.00000 0.00000 0.00000 93 4ZZ 0.00000 -0.00163 0.00000 0.00000 0.00000 94 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 97 10 C 1S -0.00005 -0.00007 -0.00146 -0.00015 -0.00012 98 2S 0.00111 0.00215 0.01846 0.00123 0.00106 99 2PX 0.00379 0.03210 0.02227 0.00538 0.00210 100 2PY 0.00035 0.00553 0.00834 0.00067 0.00036 101 2PZ 0.00214 0.00065 0.00322 0.00036 0.00640 102 3S 0.00112 -0.02196 0.01354 0.00276 0.00080 103 3PX 0.00083 0.01077 0.00366 0.00177 0.00059 104 3PY 0.00009 -0.00103 0.00015 -0.00055 0.00008 105 3PZ 0.00195 -0.00031 0.00212 0.00027 0.00811 106 4XX 0.00028 0.00379 0.00090 0.00050 0.00016 107 4YY -0.00002 -0.00148 -0.00136 -0.00028 -0.00002 108 4ZZ 0.00002 -0.00032 -0.00052 -0.00001 -0.00008 109 4XY 0.00007 0.00040 0.00020 0.00034 0.00001 110 4XZ 0.00091 0.00007 0.00002 0.00001 0.00051 111 4YZ 0.00004 0.00001 0.00002 0.00001 0.00008 112 11 C 1S 0.00000 0.00007 0.00008 0.00007 0.00000 113 2S -0.00000 -0.00103 -0.00099 -0.00098 -0.00000 114 2PX -0.00000 -0.00186 -0.00091 -0.00023 -0.00003 115 2PY -0.00001 -0.00301 -0.00410 -0.00057 -0.00018 116 2PZ -0.00001 -0.00003 0.00004 0.00002 -0.00066 117 3S 0.00003 -0.00666 -0.00560 -0.00527 0.00003 118 3PX 0.00007 -0.00475 -0.00108 0.00015 0.00009 119 3PY -0.00023 -0.00974 -0.00974 -0.00136 -0.00052 120 3PZ -0.00038 -0.00012 0.00013 -0.00010 -0.00199 121 4XX 0.00000 0.00020 0.00017 0.00011 0.00001 122 4YY 0.00000 -0.00015 -0.00017 -0.00002 -0.00000 123 4ZZ 0.00000 -0.00000 0.00002 -0.00003 -0.00000 124 4XY 0.00000 0.00009 0.00011 0.00010 0.00001 125 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00001 126 4YZ 0.00000 0.00000 0.00001 0.00001 0.00004 127 12 H 1S 0.00000 0.00008 0.00015 0.00002 0.00000 128 2S 0.00000 0.00125 0.00150 0.00069 0.00005 129 13 H 1S -0.00000 -0.00004 0.00001 -0.00012 -0.00026 130 2S -0.00016 -0.00026 0.00034 -0.00026 -0.00143 131 14 H 1S -0.00000 -0.00020 -0.00004 -0.00022 -0.00019 132 2S 0.00006 -0.00051 -0.00064 -0.00006 -0.00041 133 15 C 1S 0.00000 0.00008 0.00015 0.00000 0.00000 134 2S -0.00001 -0.00123 -0.00219 -0.00013 0.00002 135 2PX -0.00005 -0.00386 -0.00431 0.00030 0.00009 136 2PY -0.00000 0.00012 -0.00039 -0.00063 -0.00002 137 2PZ -0.00003 -0.00017 0.00029 -0.00004 0.00019 138 3S -0.00021 -0.00311 -0.00538 -0.00059 -0.00035 139 3PX -0.00022 0.00018 0.00349 0.00091 0.00038 140 3PY -0.00004 0.00046 -0.00061 -0.00166 -0.00007 141 3PZ -0.00086 -0.00008 0.00121 -0.00007 0.00019 142 4XX 0.00001 0.00047 0.00095 0.00000 0.00006 143 4YY -0.00000 -0.00020 -0.00043 -0.00000 -0.00001 144 4ZZ 0.00000 0.00003 0.00006 -0.00000 -0.00001 145 4XY -0.00000 -0.00002 -0.00002 -0.00002 0.00000 146 4XZ 0.00000 0.00001 0.00005 -0.00000 0.00003 147 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 148 16 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 149 2S 0.00000 0.00002 0.00005 0.00000 0.00000 150 2PX 0.00000 0.00009 0.00019 -0.00000 0.00000 151 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 152 2PZ -0.00000 0.00000 0.00001 -0.00000 -0.00000 153 3S 0.00000 0.00048 0.00120 0.00001 0.00003 154 3PX 0.00001 0.00083 0.00171 -0.00000 0.00006 155 3PY -0.00000 -0.00001 -0.00004 -0.00002 -0.00000 156 3PZ -0.00000 0.00006 0.00006 -0.00000 -0.00005 157 4XX -0.00000 -0.00000 -0.00001 0.00000 -0.00000 158 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 159 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 160 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 161 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 162 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 163 17 O 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 164 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 167 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 168 3S 0.00000 0.00000 0.00001 0.00000 0.00000 169 3PX 0.00000 0.00001 0.00002 0.00001 0.00000 170 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 171 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 174 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 177 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 178 18 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 179 2S -0.00000 -0.00004 -0.00013 -0.00000 -0.00000 180 19 H 1S -0.00000 -0.00082 -0.00085 -0.00052 -0.00000 181 2S -0.00006 -0.00434 -0.00456 -0.00052 -0.00011 182 20 H 1S 0.06842 0.03357 0.00723 0.01125 0.04338 183 2S 0.04380 -0.00065 0.00724 0.01029 0.04222 184 21 H 1S 0.00145 0.03637 0.00001 0.06077 0.00092 185 2S 0.00093 0.00399 0.00004 0.05816 0.00104 186 22 H 1S -0.00047 -0.00322 -0.00057 0.00002 -0.00456 187 2S -0.00792 -0.01287 -0.00067 0.00002 -0.01554 188 23 H 1S -0.00013 -0.00170 -0.00143 -0.00117 -0.00169 189 2S -0.00190 -0.00607 -0.00274 -0.00604 -0.00450 190 24 H 1S -0.00000 -0.00025 -0.00005 -0.00024 -0.00007 191 2S -0.00002 -0.00114 0.00027 -0.00043 -0.00022 192 25 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 193 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 26 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 195 2S -0.00000 0.00001 0.00001 -0.00000 -0.00000 196 27 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 197 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 91 92 93 94 95 91 4XX 0.00151 92 4YY -0.00023 0.00184 93 4ZZ -0.00011 -0.00015 0.00140 94 4XY 0.00000 0.00000 -0.00000 0.00056 95 4XZ -0.00000 0.00000 0.00000 0.00000 0.00096 96 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 97 10 C 1S -0.00011 0.00000 0.00000 -0.00003 -0.00001 98 2S 0.00241 -0.00027 -0.00033 0.00058 0.00016 99 2PX 0.00140 -0.00059 -0.00076 0.00119 0.00032 100 2PY 0.00112 0.00001 -0.00006 0.00031 0.00008 101 2PZ 0.00029 -0.00002 0.00002 0.00007 0.00069 102 3S 0.00305 -0.00105 -0.00074 0.00029 0.00006 103 3PX 0.00084 -0.00067 -0.00088 0.00014 0.00005 104 3PY 0.00024 -0.00012 0.00002 0.00018 -0.00000 105 3PZ 0.00026 -0.00004 -0.00007 0.00002 0.00066 106 4XX 0.00002 -0.00007 0.00000 -0.00002 -0.00001 107 4YY -0.00006 0.00002 -0.00000 -0.00000 -0.00001 108 4ZZ -0.00005 0.00000 0.00001 -0.00001 -0.00000 109 4XY -0.00004 -0.00001 -0.00003 -0.00002 0.00000 110 4XZ -0.00001 -0.00000 -0.00000 -0.00000 -0.00011 111 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00001 112 11 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 113 2S -0.00000 0.00001 -0.00000 0.00001 -0.00000 114 2PX -0.00000 0.00002 -0.00000 0.00001 -0.00000 115 2PY -0.00001 0.00003 -0.00000 0.00004 -0.00000 116 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 117 3S -0.00013 0.00026 -0.00003 0.00005 -0.00001 118 3PX -0.00002 0.00019 -0.00004 0.00003 -0.00000 119 3PY -0.00028 0.00038 0.00001 0.00012 -0.00001 120 3PZ -0.00000 0.00001 -0.00000 0.00000 0.00002 121 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 122 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 123 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 124 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 125 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 126 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 128 2S 0.00001 -0.00001 0.00000 -0.00000 0.00000 129 13 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 130 2S 0.00001 -0.00001 0.00001 -0.00001 -0.00000 131 14 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 132 2S -0.00002 0.00000 0.00002 -0.00002 -0.00000 133 15 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 134 2S 0.00002 -0.00000 0.00000 0.00001 0.00000 135 2PX 0.00008 -0.00001 0.00000 0.00002 0.00001 136 2PY 0.00001 0.00000 0.00000 -0.00000 0.00000 137 2PZ 0.00002 -0.00000 0.00000 0.00000 0.00001 138 3S 0.00004 -0.00009 0.00010 0.00003 0.00000 139 3PX 0.00036 -0.00009 -0.00006 0.00005 0.00007 140 3PY -0.00001 0.00001 0.00001 -0.00001 0.00000 141 3PZ 0.00013 -0.00001 -0.00003 -0.00000 0.00023 142 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 143 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 144 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 146 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 149 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 150 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 151 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 152 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 153 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 154 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 155 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 156 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 157 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 159 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 160 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 161 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 162 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 163 17 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 165 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 166 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 167 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 168 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 169 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 170 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 171 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 172 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 173 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 174 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 175 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 176 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 177 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 180 19 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 181 2S -0.00011 0.00008 0.00001 -0.00000 -0.00000 182 20 H 1S -0.00099 -0.00068 0.00386 0.00032 0.00127 183 2S -0.00172 -0.00156 0.00449 0.00006 0.00030 184 21 H 1S -0.00103 0.00753 -0.00091 -0.00000 0.00000 185 2S -0.00258 0.00673 -0.00221 0.00000 -0.00000 186 22 H 1S -0.00001 -0.00000 0.00012 0.00000 0.00000 187 2S -0.00026 -0.00015 0.00105 0.00000 -0.00008 188 23 H 1S -0.00000 0.00004 -0.00001 0.00003 0.00000 189 2S -0.00016 0.00067 -0.00027 0.00008 -0.00002 190 24 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 191 2S -0.00006 0.00004 -0.00000 -0.00000 -0.00001 192 25 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 193 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 194 26 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 195 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 196 27 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 197 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 96 97 98 99 100 96 4YZ 0.00074 97 10 C 1S -0.00000 2.05390 98 2S 0.00002 -0.01509 0.34534 99 2PX 0.00005 0.00000 0.00000 0.42480 100 2PY 0.00001 0.00000 0.00000 -0.00000 0.42817 101 2PZ 0.00006 0.00000 0.00000 0.00000 -0.00000 102 3S 0.00000 -0.03078 0.21794 0.00000 0.00000 103 3PX 0.00000 0.00000 0.00000 0.06739 -0.00000 104 3PY 0.00000 0.00000 0.00000 -0.00000 0.04052 105 3PZ 0.00004 0.00000 0.00000 -0.00000 -0.00000 106 4XX -0.00000 -0.00128 -0.00308 0.00000 0.00000 107 4YY -0.00000 -0.00128 -0.00304 0.00000 0.00000 108 4ZZ 0.00000 -0.00088 -0.01099 0.00000 0.00000 109 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 110 4XZ 0.00002 -0.00000 0.00000 0.00000 0.00000 111 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 112 11 C 1S -0.00000 0.00000 -0.00020 -0.00003 -0.00140 113 2S 0.00000 -0.00020 0.00519 0.00051 0.02535 114 2PX 0.00000 -0.00003 0.00062 0.00030 0.00177 115 2PY 0.00000 -0.00151 0.02963 0.00230 0.08241 116 2PZ 0.00000 -0.00000 0.00004 0.00002 0.00013 117 3S 0.00001 0.00007 0.00171 0.00105 0.04274 118 3PX 0.00001 -0.00002 0.00016 0.00051 0.00114 119 3PY 0.00001 -0.00185 0.02241 0.00198 0.03568 120 3PZ -0.00001 0.00000 0.00001 0.00001 0.00011 121 4XX -0.00000 0.00000 -0.00030 0.00002 -0.00080 122 4YY 0.00000 -0.00015 0.00298 0.00028 0.00280 123 4ZZ 0.00000 0.00000 -0.00031 -0.00001 -0.00075 124 4XY 0.00000 -0.00001 0.00013 0.00105 0.00038 125 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 126 4YZ 0.00000 -0.00000 0.00001 -0.00000 0.00001 127 12 H 1S -0.00000 0.00000 -0.00015 -0.00017 -0.00031 128 2S -0.00000 0.00012 -0.00216 -0.00271 -0.00418 129 13 H 1S -0.00000 0.00000 -0.00015 0.00000 -0.00044 130 2S -0.00000 0.00015 -0.00252 -0.00008 -0.00529 131 14 H 1S 0.00000 0.00000 -0.00014 -0.00003 -0.00049 132 2S 0.00001 0.00015 -0.00241 -0.00037 -0.00628 133 15 C 1S -0.00000 0.00000 -0.00073 -0.00193 -0.00154 134 2S 0.00000 -0.00073 0.01359 0.02573 0.02093 135 2PX 0.00000 -0.00179 0.02437 0.01765 0.03545 136 2PY -0.00000 -0.00163 0.02212 0.03840 0.01089 137 2PZ 0.00000 -0.00006 0.00087 0.00356 0.00117 138 3S 0.00000 -0.00039 0.01105 0.01995 0.01518 139 3PX 0.00000 -0.00083 0.01097 -0.00023 0.01956 140 3PY -0.00000 -0.00075 0.01056 0.00960 -0.00079 141 3PZ 0.00000 -0.00005 0.00052 0.00180 0.00066 142 4XX -0.00000 -0.00005 0.00051 -0.00154 0.00178 143 4YY -0.00000 -0.00002 0.00008 0.00120 -0.00114 144 4ZZ -0.00000 0.00000 -0.00042 -0.00053 -0.00039 145 4XY -0.00000 -0.00023 0.00215 0.00130 0.00078 146 4XZ -0.00000 -0.00001 0.00006 -0.00001 0.00013 147 4YZ 0.00000 -0.00001 0.00008 0.00015 0.00003 148 16 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 149 2S -0.00000 0.00000 -0.00004 -0.00018 -0.00001 150 2PX -0.00000 0.00000 -0.00021 -0.00066 -0.00008 151 2PY -0.00000 0.00000 -0.00001 -0.00000 0.00000 152 2PZ -0.00000 0.00000 -0.00001 -0.00000 -0.00000 153 3S -0.00000 0.00002 -0.00047 -0.00325 0.00068 154 3PX -0.00000 0.00010 -0.00170 -0.00493 0.00049 155 3PY -0.00000 -0.00001 0.00013 0.00146 -0.00021 156 3PZ 0.00000 0.00000 -0.00007 -0.00015 0.00001 157 4XX 0.00000 -0.00000 0.00001 0.00005 0.00001 158 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 159 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 160 4XY -0.00000 -0.00000 0.00001 0.00003 -0.00000 161 4XZ -0.00000 -0.00000 0.00000 0.00001 0.00000 162 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 163 17 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 164 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 165 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 166 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 167 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 168 3S 0.00000 0.00000 -0.00002 -0.00015 0.00002 169 3PX -0.00000 0.00000 -0.00001 -0.00006 -0.00001 170 3PY -0.00000 0.00000 -0.00001 -0.00004 -0.00002 171 3PZ -0.00000 0.00000 -0.00000 -0.00008 0.00000 172 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 173 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 174 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 175 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 176 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 177 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 178 18 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 -0.00000 0.00011 0.00034 0.00010 180 19 H 1S 0.00000 0.00000 -0.00026 -0.00012 -0.00071 181 2S -0.00000 0.00026 -0.00395 -0.00093 -0.01084 182 20 H 1S 0.00213 0.00000 -0.00017 -0.00047 0.00000 183 2S 0.00046 0.00016 -0.00280 -0.00543 0.00001 184 21 H 1S 0.00035 0.00000 -0.00015 -0.00024 -0.00031 185 2S 0.00009 0.00016 -0.00268 -0.00334 -0.00539 186 22 H 1S 0.00000 0.00000 -0.00000 -0.00001 -0.00000 187 2S 0.00001 0.00001 -0.00024 -0.00054 0.00002 188 23 H 1S 0.00005 0.00000 -0.00000 -0.00001 -0.00000 189 2S 0.00019 0.00001 -0.00014 -0.00044 0.00006 190 24 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 191 2S -0.00001 0.00000 -0.00000 -0.00000 -0.00000 192 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 194 26 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 195 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 196 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 197 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 2PZ 0.29619 102 3S 0.00000 0.25634 103 3PX -0.00000 0.00000 0.05144 104 3PY -0.00000 0.00000 -0.00000 0.02011 105 3PZ 0.09648 0.00000 -0.00000 -0.00000 0.09951 106 4XX 0.00000 -0.00179 0.00000 0.00000 0.00000 107 4YY 0.00000 -0.00256 0.00000 0.00000 0.00000 108 4ZZ 0.00000 -0.00675 0.00000 0.00000 0.00000 109 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 110 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 11 C 1S -0.00000 -0.00005 0.00005 -0.00039 0.00000 113 2S 0.00002 0.00350 0.00001 0.01141 0.00001 114 2PX 0.00002 0.00042 -0.00159 -0.00014 0.00000 115 2PY 0.00014 0.03170 -0.00041 0.01217 0.00001 116 2PZ 0.00342 -0.00013 0.00000 0.00014 0.00327 117 3S 0.00001 -0.00879 -0.00049 0.01888 -0.00007 118 3PX 0.00001 0.00015 -0.00623 -0.00047 0.00000 119 3PY 0.00014 0.02582 0.00062 0.00435 0.00008 120 3PZ 0.00519 -0.00019 -0.00000 0.00014 0.00514 121 4XX -0.00000 -0.00103 -0.00003 -0.00041 0.00000 122 4YY 0.00002 0.00337 -0.00000 0.00071 0.00000 123 4ZZ 0.00000 -0.00102 0.00004 -0.00081 -0.00000 124 4XY -0.00000 0.00007 0.00052 0.00004 0.00000 125 4XZ 0.00002 -0.00000 -0.00000 0.00000 0.00000 126 4YZ 0.00103 0.00001 0.00000 0.00000 0.00080 127 12 H 1S 0.00000 -0.00177 -0.00074 0.00011 -0.00000 128 2S -0.00000 -0.00361 0.00070 -0.00347 -0.00000 129 13 H 1S 0.00004 -0.00126 -0.00012 -0.00213 -0.00037 130 2S -0.00125 -0.00424 -0.00043 -0.00567 -0.00395 131 14 H 1S 0.00001 -0.00292 -0.00029 -0.00110 -0.00027 132 2S -0.00106 -0.00902 -0.00091 -0.00472 -0.00297 133 15 C 1S -0.00007 -0.00033 -0.00048 -0.00053 -0.00003 134 2S 0.00092 0.01140 0.01105 0.00658 0.00049 135 2PX 0.00361 0.01486 -0.00061 0.00751 0.00161 136 2PY 0.00128 0.01975 0.00966 -0.00062 0.00036 137 2PZ 0.02935 0.00035 0.00200 0.00026 0.03952 138 3S 0.00056 0.00006 -0.00267 0.00154 0.00009 139 3PX 0.00171 -0.00088 -0.00192 0.00489 0.00156 140 3PY 0.00022 0.00807 0.00202 0.00166 0.00003 141 3PZ 0.04880 -0.00026 0.00206 0.00016 0.07191 142 4XX 0.00000 0.00068 -0.00070 0.00010 0.00005 143 4YY 0.00005 -0.00048 0.00017 -0.00031 0.00001 144 4ZZ 0.00002 -0.00062 -0.00031 -0.00017 -0.00005 145 4XY 0.00015 0.00089 -0.00001 -0.00003 0.00002 146 4XZ 0.00076 0.00001 0.00000 -0.00000 0.00043 147 4YZ 0.00075 0.00003 0.00003 -0.00000 0.00042 148 16 C 1S 0.00000 0.00008 0.00017 0.00003 0.00001 149 2S -0.00001 -0.00135 -0.00229 -0.00042 -0.00006 150 2PX -0.00001 -0.00164 -0.00021 -0.00062 0.00004 151 2PY -0.00000 -0.00118 -0.00152 0.00062 -0.00006 152 2PZ 0.00003 0.00004 0.00060 0.00002 0.00044 153 3S -0.00010 -0.00163 -0.00260 0.00016 -0.00005 154 3PX -0.00016 -0.00632 0.00193 -0.00016 -0.00005 155 3PY 0.00005 -0.00026 0.00051 0.00029 0.00003 156 3PZ 0.00037 -0.00007 0.00103 0.00005 0.00072 157 4XX 0.00001 0.00026 -0.00014 0.00003 0.00009 158 4YY 0.00000 -0.00003 0.00024 0.00002 0.00001 159 4ZZ 0.00000 0.00006 0.00011 0.00001 -0.00003 160 4XY -0.00000 0.00010 0.00026 -0.00005 0.00000 161 4XZ 0.00001 -0.00000 0.00002 -0.00000 0.00018 162 4YZ -0.00000 0.00000 0.00001 -0.00000 -0.00003 163 17 O 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 164 2S -0.00000 -0.00006 -0.00008 -0.00001 -0.00001 165 2PX -0.00000 -0.00046 0.00082 0.00004 -0.00007 166 2PY -0.00000 -0.00006 -0.00028 -0.00008 -0.00001 167 2PZ -0.00000 -0.00001 0.00001 -0.00000 -0.00014 168 3S -0.00001 0.00014 0.00096 -0.00018 -0.00006 169 3PX -0.00007 -0.00294 0.00518 0.00010 -0.00039 170 3PY -0.00001 -0.00035 -0.00134 -0.00059 -0.00005 171 3PZ -0.00008 -0.00005 -0.00003 -0.00000 -0.00140 172 4XX -0.00000 -0.00004 0.00007 0.00001 -0.00000 173 4YY -0.00000 -0.00001 -0.00009 0.00000 -0.00000 174 4ZZ 0.00000 0.00001 0.00001 -0.00000 0.00000 175 4XY -0.00000 -0.00002 -0.00001 -0.00001 -0.00000 176 4XZ -0.00000 -0.00000 0.00001 0.00000 -0.00001 177 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 178 18 H 1S 0.00000 0.00009 0.00024 0.00010 0.00001 179 2S 0.00001 0.00139 0.00349 0.00103 0.00010 180 19 H 1S -0.00000 -0.00406 -0.00068 -0.00015 -0.00003 181 2S -0.00002 -0.01434 -0.00134 -0.00493 -0.00004 182 20 H 1S -0.00004 -0.00188 -0.00157 0.00000 -0.00091 183 2S -0.00236 -0.00443 -0.00379 0.00002 -0.00603 184 21 H 1S -0.00001 -0.00337 -0.00144 -0.00142 -0.00018 185 2S -0.00014 -0.01010 -0.00422 -0.00356 -0.00032 186 22 H 1S -0.00001 -0.00005 -0.00018 -0.00005 -0.00021 187 2S 0.00039 0.00020 0.00014 -0.00010 0.00160 188 23 H 1S -0.00000 -0.00032 -0.00062 -0.00009 0.00004 189 2S -0.00000 -0.00204 -0.00231 -0.00019 0.00022 190 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 191 2S 0.00000 -0.00004 -0.00005 0.00001 0.00001 192 25 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 193 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 194 26 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 195 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 196 27 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 197 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 106 107 108 109 110 106 4XX 0.00132 107 4YY -0.00024 0.00142 108 4ZZ 0.00008 0.00007 0.00089 109 4XY 0.00000 0.00000 0.00000 0.00137 110 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00073 111 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 112 11 C 1S 0.00000 -0.00015 0.00000 -0.00001 0.00000 113 2S -0.00033 0.00274 -0.00018 0.00015 -0.00000 114 2PX 0.00003 0.00024 -0.00000 0.00127 0.00000 115 2PY -0.00097 0.00182 -0.00055 0.00032 -0.00000 116 2PZ -0.00000 0.00002 0.00000 0.00000 -0.00000 117 3S -0.00160 0.00445 -0.00043 0.00011 -0.00000 118 3PX -0.00009 0.00018 0.00000 0.00089 0.00000 119 3PY -0.00240 0.00180 -0.00066 0.00004 -0.00000 120 3PZ -0.00000 0.00001 -0.00000 0.00000 0.00001 121 4XX 0.00002 -0.00003 0.00000 -0.00001 -0.00000 122 4YY -0.00004 -0.00001 -0.00005 -0.00001 0.00000 123 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 124 4XY -0.00000 -0.00002 -0.00000 -0.00014 -0.00000 125 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 126 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00001 127 12 H 1S 0.00002 0.00001 -0.00000 0.00009 -0.00000 128 2S 0.00028 -0.00018 0.00003 0.00027 -0.00000 129 13 H 1S -0.00000 0.00004 0.00000 0.00001 0.00000 130 2S 0.00009 -0.00002 0.00005 0.00003 0.00001 131 14 H 1S -0.00000 0.00006 0.00000 0.00002 0.00000 132 2S -0.00007 0.00014 0.00010 0.00008 0.00001 133 15 C 1S -0.00004 -0.00002 0.00000 -0.00024 -0.00001 134 2S 0.00038 0.00002 -0.00040 0.00232 0.00006 135 2PX -0.00141 0.00087 -0.00044 0.00144 0.00005 136 2PY 0.00161 -0.00125 -0.00042 0.00074 0.00014 137 2PZ 0.00009 0.00003 0.00004 0.00022 0.00144 138 3S 0.00114 -0.00032 -0.00058 0.00083 0.00003 139 3PX -0.00083 0.00033 -0.00017 -0.00001 -0.00000 140 3PY 0.00059 -0.00080 -0.00024 -0.00001 0.00001 141 3PZ 0.00015 0.00000 -0.00011 0.00004 0.00103 142 4XX 0.00009 -0.00023 -0.00001 -0.00008 0.00001 143 4YY -0.00028 0.00010 -0.00001 0.00002 -0.00001 144 4ZZ 0.00000 -0.00001 0.00002 -0.00005 0.00000 145 4XY -0.00003 -0.00005 -0.00005 0.00005 0.00001 146 4XZ 0.00001 -0.00001 0.00000 0.00000 0.00001 147 4YZ 0.00001 -0.00000 0.00000 0.00000 0.00004 148 16 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 149 2S 0.00002 -0.00000 0.00000 -0.00000 0.00000 150 2PX 0.00010 -0.00001 0.00000 -0.00000 0.00001 151 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 152 2PZ 0.00001 -0.00000 0.00000 0.00000 0.00000 153 3S 0.00031 -0.00014 0.00001 -0.00004 0.00001 154 3PX 0.00030 -0.00010 0.00003 -0.00003 0.00002 155 3PY 0.00001 -0.00000 -0.00001 -0.00002 -0.00000 156 3PZ 0.00003 -0.00000 -0.00001 0.00000 0.00004 157 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 158 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 159 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 160 4XY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 161 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 162 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 17 O 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 164 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 165 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 166 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 167 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 168 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 169 3PX -0.00005 0.00001 -0.00000 -0.00000 -0.00001 170 3PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 171 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 172 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 173 4YY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 174 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 175 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 176 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 177 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 178 18 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 179 2S -0.00003 0.00000 -0.00000 0.00001 -0.00000 180 19 H 1S -0.00002 0.00016 0.00000 0.00002 -0.00000 181 2S -0.00059 0.00132 0.00006 -0.00003 -0.00000 182 20 H 1S 0.00003 -0.00000 0.00002 -0.00000 0.00008 183 2S -0.00009 -0.00009 0.00030 -0.00000 0.00033 184 21 H 1S -0.00001 0.00005 0.00000 0.00008 0.00000 185 2S -0.00044 0.00071 0.00005 0.00023 -0.00001 186 22 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 187 2S -0.00005 -0.00001 0.00005 -0.00001 -0.00005 188 23 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 189 2S -0.00004 0.00003 0.00001 -0.00001 -0.00000 190 24 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 191 2S 0.00000 0.00000 0.00000 0.00000 0.00000 192 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 194 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 196 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 197 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 111 112 113 114 115 111 4YZ 0.00076 112 11 C 1S -0.00000 2.05079 113 2S 0.00001 -0.01141 0.29768 114 2PX -0.00000 0.00000 0.00000 0.42779 115 2PY 0.00002 0.00000 0.00000 0.00000 0.37906 116 2PZ 0.00141 0.00000 0.00000 0.00000 0.00000 117 3S 0.00001 -0.03477 0.23599 0.00000 0.00000 118 3PX 0.00000 0.00000 0.00000 0.12631 -0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.10793 120 3PZ 0.00077 0.00000 0.00000 -0.00000 0.00000 121 4XX -0.00000 -0.00152 0.00100 0.00000 0.00000 122 4YY -0.00000 -0.00129 -0.00343 0.00000 0.00000 123 4ZZ -0.00000 -0.00147 0.00003 0.00000 0.00000 124 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 125 4XZ 0.00002 -0.00000 0.00000 0.00000 0.00000 126 4YZ -0.00016 0.00000 -0.00000 0.00000 0.00000 127 12 H 1S 0.00000 -0.00182 0.02954 0.09373 0.00553 128 2S 0.00000 -0.00042 0.00977 0.04395 0.00311 129 13 H 1S 0.00008 -0.00164 0.02669 0.01276 0.01259 130 2S 0.00032 -0.00056 0.01045 0.00754 0.00745 131 14 H 1S 0.00005 -0.00166 0.02704 0.02514 0.01834 132 2S 0.00025 -0.00051 0.01015 0.01618 0.01121 133 15 C 1S -0.00001 -0.00000 0.00000 0.00000 0.00000 134 2S 0.00008 0.00000 -0.00004 -0.00002 -0.00022 135 2PX 0.00021 0.00000 -0.00003 -0.00000 -0.00011 136 2PY 0.00003 0.00000 -0.00016 -0.00004 -0.00056 137 2PZ 0.00122 0.00000 -0.00000 -0.00000 -0.00000 138 3S 0.00004 0.00002 -0.00040 0.00014 -0.00294 139 3PX 0.00004 0.00004 -0.00048 0.00015 -0.00255 140 3PY -0.00000 0.00004 -0.00097 -0.00022 0.00001 141 3PZ 0.00091 0.00000 -0.00002 -0.00003 -0.00008 142 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00002 143 4YY 0.00000 -0.00000 0.00002 0.00000 0.00013 144 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 145 4XY 0.00001 0.00000 -0.00000 -0.00000 0.00001 146 4XZ 0.00002 0.00000 -0.00000 0.00000 -0.00000 147 4YZ 0.00002 0.00000 -0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 150 2PX 0.00000 0.00000 -0.00000 -0.00000 -0.00001 151 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 152 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 153 3S -0.00000 0.00001 -0.00012 0.00005 -0.00065 154 3PX 0.00000 0.00001 -0.00028 -0.00040 -0.00057 155 3PY -0.00000 0.00000 -0.00001 0.00019 -0.00011 156 3PZ 0.00001 0.00000 -0.00001 -0.00005 -0.00002 157 4XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 158 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 159 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 160 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 161 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 162 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 163 17 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 164 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 165 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 166 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 167 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 168 3S 0.00000 0.00000 -0.00002 -0.00022 0.00004 169 3PX 0.00000 0.00000 -0.00013 -0.00063 0.00011 170 3PY -0.00000 0.00000 -0.00005 -0.00018 -0.00000 171 3PZ 0.00000 0.00000 -0.00000 -0.00001 0.00001 172 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 173 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 174 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 175 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 176 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 178 18 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 179 2S 0.00000 0.00000 -0.00000 -0.00001 0.00000 180 19 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 181 2S -0.00000 -0.00000 0.00009 0.00000 0.00048 182 20 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 183 2S -0.00000 0.00001 -0.00014 0.00001 -0.00032 184 21 H 1S 0.00001 -0.00000 0.00000 0.00000 0.00000 185 2S 0.00002 -0.00000 0.00009 0.00008 0.00032 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 187 2S 0.00001 0.00000 0.00000 0.00001 -0.00002 188 23 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 189 2S 0.00000 -0.00000 0.00008 0.00039 0.00004 190 24 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 191 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 192 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 194 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2S -0.00000 0.00000 0.00000 0.00000 0.00000 196 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 197 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 116 117 118 119 120 116 2PZ 0.39858 117 3S 0.00000 0.32294 118 3PX -0.00000 0.00000 0.12029 119 3PY 0.00000 0.00000 0.00000 0.10426 120 3PZ 0.10438 0.00000 -0.00000 -0.00000 0.08669 121 4XX 0.00000 0.00109 0.00000 0.00000 0.00000 122 4YY 0.00000 -0.00180 0.00000 0.00000 0.00000 123 4ZZ 0.00000 -0.00010 0.00000 0.00000 0.00000 124 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 126 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00023 0.03913 0.06664 0.00526 0.00030 128 2S 0.00017 0.00152 0.04378 0.00330 0.00016 129 13 H 1S 0.07025 0.03257 0.00985 0.00856 0.04617 130 2S 0.04338 0.00797 0.00916 0.00771 0.04420 131 14 H 1S 0.05317 0.03010 0.01795 0.01140 0.03323 132 2S 0.03409 -0.00069 0.01834 0.00988 0.03185 133 15 C 1S 0.00000 0.00004 -0.00000 0.00018 0.00000 134 2S -0.00000 -0.00101 -0.00014 -0.00340 -0.00001 135 2PX -0.00000 -0.00057 0.00004 -0.00021 0.00001 136 2PY -0.00000 -0.00434 0.00013 -0.00625 0.00001 137 2PZ -0.00004 -0.00000 -0.00004 -0.00003 -0.00028 138 3S -0.00003 0.00144 0.00201 -0.01417 -0.00026 139 3PX -0.00004 -0.00263 0.00081 -0.00254 0.00001 140 3PY -0.00007 -0.00421 0.00073 -0.00314 -0.00011 141 3PZ -0.00108 0.00001 -0.00009 -0.00015 -0.00198 142 4XX 0.00000 -0.00016 0.00000 -0.00042 0.00000 143 4YY -0.00000 0.00046 0.00001 0.00110 0.00000 144 4ZZ 0.00000 0.00001 -0.00000 0.00001 0.00000 145 4XY 0.00000 -0.00005 0.00000 -0.00001 0.00000 146 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 147 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00002 148 16 C 1S -0.00000 0.00000 -0.00001 0.00001 0.00000 149 2S 0.00000 -0.00002 0.00017 -0.00038 -0.00001 150 2PX -0.00000 -0.00035 -0.00023 -0.00056 0.00000 151 2PY 0.00000 0.00026 0.00056 -0.00015 -0.00002 152 2PZ -0.00000 -0.00003 -0.00012 -0.00001 0.00002 153 3S 0.00001 -0.00163 0.00024 -0.00335 0.00002 154 3PX -0.00001 -0.00263 -0.00176 -0.00025 0.00018 155 3PY 0.00002 0.00020 0.00114 -0.00065 -0.00001 156 3PZ -0.00005 -0.00020 -0.00043 0.00003 0.00008 157 4XX -0.00000 0.00001 0.00005 -0.00011 -0.00001 158 4YY -0.00000 -0.00002 -0.00009 0.00010 0.00001 159 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 160 4XY 0.00000 -0.00006 -0.00007 0.00003 0.00001 161 4XZ -0.00000 0.00000 0.00000 -0.00001 -0.00000 162 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 163 17 O 1S 0.00000 0.00000 0.00002 -0.00001 -0.00000 164 2S -0.00000 -0.00008 -0.00036 0.00010 0.00002 165 2PX -0.00000 -0.00034 -0.00086 0.00044 0.00012 166 2PY -0.00000 -0.00022 -0.00062 0.00002 0.00004 167 2PZ 0.00000 -0.00003 -0.00010 0.00002 0.00003 168 3S -0.00000 -0.00096 -0.00382 0.00108 0.00016 169 3PX 0.00000 -0.00254 -0.00502 0.00276 0.00068 170 3PY -0.00000 -0.00142 -0.00271 -0.00012 0.00018 171 3PZ 0.00002 -0.00021 -0.00047 0.00012 0.00030 172 4XX 0.00000 -0.00003 -0.00001 0.00001 0.00001 173 4YY 0.00000 0.00004 0.00013 -0.00002 -0.00001 174 4ZZ -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 175 4XY 0.00000 0.00001 0.00003 -0.00000 -0.00000 176 4XZ 0.00000 -0.00000 -0.00001 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00001 -0.00000 -0.00000 178 18 H 1S -0.00000 -0.00000 -0.00001 0.00001 0.00000 179 2S -0.00000 -0.00020 -0.00036 0.00037 0.00002 180 19 H 1S -0.00000 0.00009 -0.00000 0.00028 -0.00000 181 2S -0.00000 0.00170 -0.00003 0.00441 -0.00000 182 20 H 1S -0.00000 -0.00034 -0.00035 -0.00003 -0.00031 183 2S 0.00002 -0.00185 -0.00065 -0.00022 -0.00050 184 21 H 1S 0.00000 0.00007 0.00002 0.00017 0.00001 185 2S 0.00001 0.00142 0.00060 0.00275 0.00009 186 22 H 1S -0.00000 -0.00002 -0.00003 0.00000 -0.00001 187 2S -0.00000 -0.00031 -0.00028 -0.00004 0.00000 188 23 H 1S -0.00000 -0.00003 0.00024 0.00009 -0.00012 189 2S -0.00004 0.00064 0.00275 0.00040 -0.00027 190 24 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 191 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 192 25 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 193 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 194 26 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 195 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 196 27 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 197 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 121 122 123 124 125 121 4XX 0.00135 122 4YY -0.00017 0.00116 123 4ZZ -0.00006 -0.00009 0.00111 124 4XY 0.00000 0.00000 -0.00000 0.00077 125 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00087 126 4YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 127 12 H 1S 0.00618 -0.00093 -0.00076 0.00089 0.00003 128 2S 0.00415 -0.00158 -0.00157 0.00015 0.00000 129 13 H 1S -0.00054 -0.00084 0.00353 0.00031 0.00165 130 2S -0.00120 -0.00128 0.00322 0.00007 0.00035 131 14 H 1S -0.00017 -0.00065 0.00168 0.00092 0.00230 132 2S -0.00048 -0.00074 0.00175 0.00020 0.00050 133 15 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 134 2S -0.00000 0.00001 0.00000 0.00001 0.00000 135 2PX -0.00000 0.00001 0.00000 0.00000 0.00000 136 2PY -0.00000 0.00005 0.00000 0.00004 0.00000 137 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 138 3S 0.00001 0.00001 0.00004 0.00004 0.00000 139 3PX 0.00002 -0.00007 0.00004 -0.00002 -0.00000 140 3PY -0.00007 0.00023 -0.00001 0.00008 0.00000 141 3PZ -0.00001 -0.00000 0.00000 0.00001 0.00002 142 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 143 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 144 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 145 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 146 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 147 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 148 16 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 149 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 150 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 151 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 152 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 153 3S 0.00002 -0.00003 0.00001 -0.00000 0.00000 154 3PX 0.00001 -0.00004 0.00001 0.00001 0.00000 155 3PY 0.00000 0.00000 -0.00000 0.00002 -0.00000 156 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 158 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 159 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 163 17 O 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 164 2S -0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 166 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 168 3S -0.00001 0.00000 0.00000 0.00000 0.00000 169 3PX -0.00001 -0.00000 -0.00000 0.00002 0.00001 170 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 171 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 172 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 174 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 176 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 177 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 178 18 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 179 2S -0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 182 20 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 183 2S 0.00001 -0.00001 0.00001 -0.00002 0.00001 184 21 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 185 2S -0.00001 0.00001 -0.00000 -0.00001 0.00000 186 22 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 187 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 188 23 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 189 2S -0.00001 -0.00000 0.00000 -0.00000 0.00000 190 24 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 191 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 192 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 194 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 196 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 197 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 4YZ 0.00086 127 12 H 1S 0.00000 0.20669 128 2S 0.00000 0.08279 0.10782 129 13 H 1S 0.00143 -0.00036 -0.00487 0.21030 130 2S 0.00034 -0.00556 -0.01265 0.10368 0.13330 131 14 H 1S 0.00159 -0.00041 -0.00402 -0.00038 -0.00638 132 2S 0.00039 -0.00643 -0.00939 -0.00663 -0.01904 133 15 C 1S -0.00000 0.00000 0.00003 -0.00000 -0.00000 134 2S 0.00000 -0.00001 -0.00066 0.00000 0.00011 135 2PX 0.00000 0.00000 -0.00003 -0.00000 -0.00002 136 2PY 0.00000 -0.00003 -0.00101 0.00000 0.00025 137 2PZ 0.00002 -0.00000 -0.00005 -0.00000 -0.00029 138 3S 0.00000 -0.00014 -0.00652 0.00002 0.00029 139 3PX 0.00001 -0.00002 -0.00048 0.00001 -0.00003 140 3PY 0.00000 -0.00063 -0.00424 -0.00009 -0.00003 141 3PZ 0.00027 -0.00005 -0.00020 -0.00025 -0.00206 142 4XX 0.00000 0.00000 0.00004 0.00000 0.00001 143 4YY -0.00000 0.00000 -0.00003 -0.00000 -0.00003 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 146 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 147 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 148 16 C 1S -0.00000 0.00000 0.00001 -0.00000 -0.00000 149 2S -0.00000 -0.00000 -0.00045 0.00000 0.00001 150 2PX 0.00000 -0.00000 0.00014 0.00000 0.00000 151 2PY -0.00000 -0.00000 -0.00153 0.00000 0.00001 152 2PZ 0.00000 -0.00000 0.00010 -0.00000 -0.00001 153 3S 0.00000 0.00021 0.00152 0.00001 0.00020 154 3PX 0.00000 -0.00008 0.00210 0.00001 0.00015 155 3PY 0.00000 0.00009 -0.00198 0.00001 0.00011 156 3PZ 0.00000 -0.00004 0.00043 -0.00001 -0.00008 157 4XX 0.00000 0.00000 -0.00008 -0.00000 -0.00000 158 4YY 0.00000 -0.00000 0.00020 -0.00000 -0.00000 159 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 160 4XY -0.00000 -0.00000 0.00010 0.00000 0.00000 161 4XZ 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 162 4YZ -0.00000 0.00000 0.00002 0.00000 0.00000 163 17 O 1S 0.00000 0.00000 -0.00007 -0.00000 -0.00000 164 2S 0.00000 -0.00001 0.00063 0.00000 0.00000 165 2PX -0.00000 -0.00002 0.00177 0.00000 0.00001 166 2PY 0.00000 -0.00001 0.00259 -0.00000 0.00000 167 2PZ -0.00000 0.00000 0.00043 0.00000 0.00001 168 3S -0.00000 -0.00044 0.00644 -0.00000 0.00000 169 3PX -0.00000 -0.00057 0.00788 0.00000 0.00016 170 3PY 0.00000 -0.00025 0.00853 0.00000 0.00003 171 3PZ -0.00000 0.00011 0.00179 0.00000 0.00008 172 4XX -0.00000 0.00000 0.00011 0.00000 0.00000 173 4YY -0.00000 0.00000 -0.00044 0.00000 -0.00000 174 4ZZ -0.00000 -0.00000 -0.00002 -0.00000 0.00000 175 4XY 0.00000 0.00001 0.00005 -0.00000 -0.00000 176 4XZ -0.00000 0.00000 0.00003 0.00000 0.00000 177 4YZ 0.00000 0.00000 -0.00001 -0.00000 -0.00000 178 18 H 1S 0.00000 -0.00000 0.00002 -0.00000 0.00000 179 2S 0.00000 -0.00001 0.00064 -0.00000 0.00000 180 19 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 181 2S -0.00000 0.00000 0.00005 -0.00000 -0.00017 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00003 183 2S -0.00001 -0.00000 0.00002 -0.00001 -0.00005 184 21 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 185 2S -0.00000 -0.00000 -0.00013 -0.00000 -0.00009 186 22 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00006 187 2S 0.00000 -0.00000 -0.00002 0.00000 0.00027 188 23 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00005 189 2S 0.00000 -0.00000 -0.00003 0.00013 0.00114 190 24 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 191 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 192 25 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 193 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 194 26 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 195 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 196 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 197 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 131 132 133 134 135 131 14 H 1S 0.21196 132 2S 0.10870 0.14789 133 15 C 1S -0.00000 -0.00000 2.05351 134 2S 0.00000 0.00011 -0.01382 0.32424 135 2PX 0.00000 0.00017 0.00000 0.00000 0.40895 136 2PY 0.00000 0.00029 0.00000 0.00000 -0.00000 137 2PZ -0.00000 -0.00015 0.00000 0.00000 0.00000 138 3S 0.00006 0.00032 -0.03407 0.24072 0.00000 139 3PX 0.00015 0.00150 0.00000 0.00000 0.09124 140 3PY 0.00006 0.00077 0.00000 0.00000 0.00000 141 3PZ -0.00011 -0.00130 0.00000 0.00000 -0.00000 142 4XX 0.00000 0.00000 -0.00135 -0.00218 0.00000 143 4YY -0.00000 -0.00002 -0.00159 0.00127 0.00000 144 4ZZ 0.00000 -0.00000 -0.00093 -0.01068 0.00000 145 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 146 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 147 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 148 16 C 1S -0.00000 -0.00000 0.00000 -0.00030 -0.00176 149 2S 0.00000 -0.00000 -0.00032 0.00815 0.03288 150 2PX 0.00000 0.00000 -0.00175 0.03062 0.07474 151 2PY -0.00000 -0.00000 -0.00002 0.00046 0.00196 152 2PZ -0.00000 -0.00001 -0.00006 0.00102 0.00438 153 3S 0.00000 0.00009 0.00030 0.00306 0.02719 154 3PX 0.00001 0.00027 -0.00004 0.00560 0.00895 155 3PY -0.00000 -0.00003 0.00006 -0.00114 0.00137 156 3PZ -0.00000 -0.00005 0.00000 0.00019 0.00134 157 4XX 0.00000 -0.00000 -0.00020 0.00354 0.00300 158 4YY 0.00000 0.00000 0.00001 -0.00068 -0.00200 159 4ZZ -0.00000 -0.00000 0.00000 -0.00016 -0.00027 160 4XY 0.00000 0.00000 -0.00003 0.00038 0.00078 161 4XZ -0.00000 -0.00000 -0.00002 0.00022 0.00051 162 4YZ 0.00000 0.00000 -0.00000 0.00001 0.00003 163 17 O 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 -0.00001 -0.00003 165 2PX 0.00000 0.00001 0.00000 -0.00009 -0.00029 166 2PY 0.00000 0.00001 -0.00000 -0.00000 0.00001 167 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00002 168 3S 0.00000 0.00005 -0.00000 -0.00009 0.00027 169 3PX 0.00000 0.00023 0.00011 -0.00315 -0.00538 170 3PY 0.00000 0.00010 -0.00002 0.00037 0.00125 171 3PZ 0.00000 0.00007 0.00000 -0.00009 -0.00040 172 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 173 4YY -0.00000 -0.00000 0.00000 -0.00000 -0.00002 174 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 175 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00003 176 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 177 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 -0.00027 -0.00095 179 2S 0.00000 0.00002 0.00039 -0.00580 -0.01424 180 19 H 1S -0.00000 -0.00000 -0.00194 0.03074 0.00534 181 2S -0.00000 -0.00015 -0.00090 0.00987 0.00388 182 20 H 1S -0.00000 0.00043 -0.00000 0.00000 0.00000 183 2S 0.00040 0.00461 -0.00001 0.00017 0.00055 184 21 H 1S 0.00000 0.00000 0.00000 -0.00002 -0.00005 185 2S 0.00001 0.00002 0.00003 -0.00060 -0.00110 186 22 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 187 2S 0.00000 0.00013 -0.00000 0.00002 0.00013 188 23 H 1S -0.00000 -0.00001 0.00000 -0.00000 -0.00000 189 2S 0.00008 0.00041 0.00000 -0.00000 -0.00000 190 24 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 191 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 192 25 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 193 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 194 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 196 27 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 197 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 136 137 138 139 140 136 2PY 0.41440 137 2PZ 0.00000 0.35655 138 3S 0.00000 0.00000 0.39726 139 3PX 0.00000 -0.00000 0.00000 0.09879 140 3PY 0.07191 0.00000 0.00000 0.00000 0.04898 141 3PZ -0.00000 0.14755 0.00000 -0.00000 0.00000 142 4XX 0.00000 0.00000 -0.00219 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00097 0.00000 0.00000 144 4ZZ 0.00000 0.00000 -0.00731 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S -0.00008 -0.00006 -0.00021 0.00009 -0.00040 149 2S 0.00163 0.00112 0.00660 0.00835 0.00327 150 2PX 0.00403 0.00450 0.03503 0.02026 0.00048 151 2PY 0.00001 0.00012 -0.00299 0.00267 0.00870 152 2PZ 0.00017 0.00680 0.00031 0.00239 -0.00011 153 3S 0.00295 0.00097 -0.02689 -0.00326 0.00312 154 3PX 0.00022 0.00109 -0.02206 -0.00162 -0.00009 155 3PY 0.00585 0.00008 -0.00436 -0.00039 0.00528 156 3PZ 0.00000 0.00985 -0.00180 0.00040 -0.00011 157 4XX 0.00055 0.00055 0.00740 0.00407 0.00000 158 4YY 0.00005 -0.00007 -0.00483 -0.00487 -0.00008 159 4ZZ 0.00000 0.00003 -0.00004 0.00084 -0.00011 160 4XY 0.00109 0.00006 0.00069 0.00020 0.00005 161 4XZ 0.00003 0.00133 0.00019 0.00011 0.00001 162 4YZ 0.00004 0.00011 0.00002 0.00001 -0.00001 163 17 O 1S 0.00000 0.00000 -0.00001 -0.00006 0.00002 164 2S -0.00002 -0.00000 0.00054 0.00037 0.00035 165 2PX -0.00007 -0.00002 -0.00655 -0.00824 0.00047 166 2PY -0.00002 -0.00000 0.00256 0.00016 0.00076 167 2PZ -0.00000 -0.00001 -0.00027 -0.00056 -0.00006 168 3S -0.00125 -0.00002 -0.00135 0.00528 -0.00401 169 3PX -0.00192 -0.00052 -0.03291 -0.02342 -0.00030 170 3PY -0.00040 0.00003 0.01167 0.00349 0.00088 171 3PZ -0.00010 -0.00074 -0.00129 -0.00194 -0.00028 172 4XX 0.00003 0.00000 -0.00030 -0.00043 0.00014 173 4YY 0.00001 -0.00000 0.00031 -0.00010 0.00020 174 4ZZ 0.00000 0.00000 0.00004 0.00003 -0.00000 175 4XY -0.00000 0.00000 -0.00012 -0.00026 0.00006 176 4XZ 0.00000 0.00000 -0.00002 -0.00002 0.00000 177 4YZ 0.00000 -0.00000 -0.00001 -0.00002 0.00000 178 18 H 1S -0.00003 -0.00003 -0.00979 -0.00833 0.00058 179 2S -0.00023 -0.00042 -0.04702 -0.03138 0.00203 180 19 H 1S 0.09263 0.00032 0.03506 0.00245 0.04296 181 2S 0.06060 0.00019 -0.00227 0.00388 0.03850 182 20 H 1S 0.00000 -0.00000 0.00014 0.00005 0.00003 183 2S 0.00003 -0.00033 0.00151 0.00159 0.00010 184 21 H 1S -0.00000 -0.00001 -0.00083 0.00030 -0.00023 185 2S 0.00027 -0.00009 -0.00381 -0.00072 -0.00016 186 22 H 1S 0.00000 -0.00000 0.00002 -0.00002 0.00000 187 2S 0.00000 0.00009 0.00040 0.00051 0.00001 188 23 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 -0.00012 0.00011 0.00003 190 24 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 191 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 192 25 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 193 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 194 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2S 0.00000 0.00000 0.00000 0.00000 0.00000 196 27 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 197 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 141 142 143 144 145 141 3PZ 0.19354 142 4XX 0.00000 0.00138 143 4YY 0.00000 -0.00032 0.00182 144 4ZZ 0.00000 0.00009 -0.00002 0.00087 145 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00091 146 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 148 16 C 1S -0.00000 -0.00018 0.00000 0.00000 -0.00001 149 2S 0.00034 0.00319 -0.00049 -0.00021 0.00018 150 2PX 0.00220 0.00165 -0.00105 -0.00053 0.00066 151 2PY 0.00013 0.00029 0.00003 -0.00001 0.00085 152 2PZ 0.01087 0.00023 -0.00004 0.00001 0.00004 153 3S 0.00004 0.00413 -0.00227 -0.00022 0.00000 154 3PX 0.00010 0.00104 -0.00084 -0.00022 0.00007 155 3PY 0.00002 0.00029 -0.00001 0.00002 0.00003 156 3PZ 0.01375 0.00016 -0.00002 -0.00005 0.00001 157 4XX 0.00056 -0.00000 -0.00006 -0.00006 -0.00003 158 4YY -0.00014 -0.00002 0.00003 0.00001 0.00000 159 4ZZ -0.00015 -0.00007 0.00000 0.00001 -0.00001 160 4XY 0.00002 -0.00005 -0.00001 -0.00001 -0.00017 161 4XZ 0.00137 -0.00001 -0.00000 -0.00000 0.00000 162 4YZ 0.00014 -0.00001 -0.00000 -0.00000 -0.00001 163 17 O 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 164 2S -0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX -0.00064 0.00000 0.00001 0.00000 0.00001 166 2PY -0.00004 0.00000 0.00000 -0.00000 0.00001 167 2PZ -0.00099 0.00000 0.00000 0.00000 0.00000 168 3S 0.00011 -0.00002 0.00006 0.00000 0.00003 169 3PX -0.00225 0.00000 0.00026 0.00003 0.00013 170 3PY -0.00005 0.00002 0.00003 -0.00001 0.00009 171 3PZ -0.00602 0.00004 0.00001 -0.00001 0.00001 172 4XX -0.00002 0.00000 -0.00000 -0.00000 0.00000 173 4YY -0.00001 0.00000 -0.00000 0.00000 -0.00000 174 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 175 4XY -0.00002 0.00000 0.00000 -0.00000 0.00000 176 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ -0.00003 0.00000 0.00000 0.00000 0.00000 178 18 H 1S -0.00021 0.00005 -0.00000 0.00000 0.00004 179 2S -0.00082 0.00004 0.00013 0.00009 0.00022 180 19 H 1S 0.00015 -0.00124 0.00693 -0.00072 0.00090 181 2S 0.00015 -0.00315 0.00662 -0.00080 0.00019 182 20 H 1S -0.00027 -0.00000 0.00000 -0.00000 0.00000 183 2S -0.00279 -0.00003 0.00001 -0.00000 0.00000 184 21 H 1S -0.00006 0.00000 0.00000 0.00000 0.00000 185 2S -0.00018 -0.00009 0.00007 -0.00000 0.00002 186 22 H 1S 0.00001 -0.00000 0.00000 0.00000 0.00000 187 2S 0.00104 -0.00001 0.00000 -0.00000 0.00000 188 23 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 189 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 190 24 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 191 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 192 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 194 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 196 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 197 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 146 147 148 149 150 146 4XZ 0.00037 147 4YZ -0.00000 0.00023 148 16 C 1S -0.00001 -0.00000 2.05356 149 2S 0.00020 0.00000 -0.01598 0.35775 150 2PX 0.00031 0.00004 0.00000 0.00000 0.42569 151 2PY 0.00001 0.00002 0.00000 0.00000 -0.00000 152 2PZ 0.00052 0.00005 0.00000 0.00000 0.00000 153 3S 0.00008 -0.00000 -0.02656 0.21199 0.00000 154 3PX 0.00004 0.00001 0.00000 0.00000 0.05763 155 3PY 0.00001 -0.00000 0.00000 0.00000 -0.00000 156 3PZ 0.00043 0.00003 0.00000 0.00000 -0.00000 157 4XX -0.00001 0.00000 -0.00124 -0.00388 0.00000 158 4YY -0.00001 -0.00000 -0.00142 -0.00042 0.00000 159 4ZZ -0.00000 0.00000 -0.00082 -0.01336 0.00000 160 4XY -0.00000 -0.00001 0.00000 0.00000 0.00000 161 4XZ -0.00008 0.00001 -0.00000 0.00000 0.00000 162 4YZ -0.00002 -0.00000 -0.00000 0.00000 0.00000 163 17 O 1S -0.00000 -0.00000 0.00000 -0.00026 -0.00037 164 2S 0.00000 0.00000 -0.00017 0.00440 0.00595 165 2PX 0.00000 0.00000 -0.00038 0.00791 -0.00012 166 2PY 0.00000 0.00000 -0.00145 0.03657 0.02502 167 2PZ 0.00000 -0.00000 -0.00003 0.00067 0.00137 168 3S -0.00000 0.00000 0.00013 -0.01850 -0.00277 169 3PX 0.00002 0.00001 -0.00166 0.01105 -0.00299 170 3PY 0.00001 0.00000 -0.00600 0.05095 0.01570 171 3PZ 0.00010 -0.00001 -0.00013 0.00096 0.00131 172 4XX 0.00000 0.00000 0.00001 0.00003 -0.00003 173 4YY 0.00000 -0.00000 -0.00052 0.00524 0.00443 174 4ZZ 0.00000 0.00000 0.00001 -0.00051 0.00009 175 4XY 0.00000 0.00000 -0.00036 0.00207 0.00014 176 4XZ 0.00000 0.00000 -0.00001 0.00004 -0.00000 177 4YZ 0.00000 0.00000 -0.00003 0.00017 0.00019 178 18 H 1S 0.00000 0.00000 -0.00176 0.02969 0.02997 179 2S -0.00001 0.00000 -0.00078 0.00804 0.02187 180 19 H 1S -0.00000 0.00005 0.00000 -0.00024 -0.00044 181 2S -0.00000 0.00001 0.00020 -0.00382 -0.00642 182 20 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 183 2S -0.00001 -0.00000 0.00000 -0.00000 -0.00000 184 21 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 185 2S -0.00000 0.00000 0.00000 -0.00000 0.00001 186 22 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 187 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 188 23 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 189 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 190 24 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 191 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 192 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 194 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 196 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 197 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 151 152 153 154 155 151 2PY 0.42833 152 2PZ 0.00000 0.27153 153 3S 0.00000 0.00000 0.24590 154 3PX -0.00000 -0.00000 0.00000 0.06286 155 3PY 0.03996 -0.00000 0.00000 0.00000 0.03276 156 3PZ -0.00000 0.08570 0.00000 -0.00000 -0.00000 157 4XX 0.00000 0.00000 -0.00275 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00007 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00700 0.00000 0.00000 160 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 163 17 O 1S -0.00168 -0.00003 0.00127 -0.00010 0.00022 164 2S 0.02566 0.00048 -0.02105 0.00101 -0.00727 165 2PX 0.02649 0.00134 0.00674 0.01696 -0.00156 166 2PY 0.05758 0.00267 0.01119 0.00895 0.00069 167 2PZ 0.00272 0.02561 0.00049 0.00013 0.00034 168 3S -0.00117 -0.00005 -0.06800 -0.00552 -0.01774 169 3PX 0.01890 0.00132 0.01431 0.04421 -0.00392 170 3PY 0.02356 0.00200 0.01757 0.01257 -0.00096 171 3PZ 0.00223 0.05248 0.00101 0.00017 0.00046 172 4XX 0.00171 0.00008 0.00083 -0.00075 0.00064 173 4YY 0.00290 0.00039 0.00345 0.00190 -0.00012 174 4ZZ -0.00026 0.00006 -0.00056 0.00033 0.00053 175 4XY 0.00340 0.00020 0.00048 0.00060 -0.00000 176 4XZ 0.00016 0.00101 0.00001 0.00001 0.00001 177 4YZ 0.00029 0.00376 0.00004 0.00002 0.00000 178 18 H 1S 0.06315 0.00023 0.04751 0.00277 0.03015 179 2S 0.04151 0.00017 0.04217 -0.00386 0.02535 180 19 H 1S -0.00020 -0.00002 -0.00495 -0.00092 0.00082 181 2S -0.00273 -0.00029 -0.01688 -0.00116 0.00226 182 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 183 2S 0.00000 -0.00000 -0.00006 -0.00009 0.00001 184 21 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 185 2S 0.00000 0.00000 0.00001 0.00012 0.00001 186 22 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 187 2S 0.00000 0.00000 -0.00002 -0.00003 0.00000 188 23 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00000 0.00000 0.00000 0.00001 -0.00000 190 24 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 191 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 192 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2S -0.00000 0.00000 0.00000 0.00000 0.00000 194 26 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 195 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 196 27 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 197 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 156 157 158 159 160 156 3PZ 0.08691 157 4XX 0.00000 0.00296 158 4YY 0.00000 -0.00079 0.00322 159 4ZZ 0.00000 0.00025 -0.00015 0.00145 160 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00410 161 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 162 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 163 17 O 1S -0.00000 0.00003 -0.00042 0.00001 -0.00035 164 2S -0.00002 -0.00065 0.00459 -0.00049 0.00378 165 2PX 0.00005 0.00050 0.00673 -0.00029 0.00004 166 2PY 0.00079 0.00029 -0.00305 -0.00088 0.00666 167 2PZ 0.02904 -0.00004 0.00042 0.00014 0.00012 168 3S -0.00031 -0.00121 0.00741 -0.00099 0.00160 169 3PX 0.00005 -0.00242 0.00701 -0.00084 0.00249 170 3PY 0.00114 0.00164 -0.00346 -0.00205 0.00133 171 3PZ 0.06349 -0.00005 0.00041 -0.00011 0.00003 172 4XX 0.00005 -0.00006 0.00010 0.00000 0.00001 173 4YY 0.00016 0.00005 -0.00022 -0.00014 0.00029 174 4ZZ -0.00010 0.00003 -0.00005 0.00002 -0.00000 175 4XY 0.00002 0.00002 0.00020 -0.00009 -0.00000 176 4XZ 0.00044 0.00000 0.00002 0.00000 -0.00000 177 4YZ 0.00161 -0.00000 0.00002 0.00002 0.00002 178 18 H 1S -0.00006 -0.00169 0.00415 -0.00059 0.00553 179 2S -0.00016 -0.00470 0.00731 -0.00049 0.00169 180 19 H 1S -0.00002 -0.00001 0.00003 -0.00000 0.00009 181 2S -0.00007 -0.00073 0.00078 -0.00006 0.00025 182 20 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 183 2S -0.00002 0.00000 0.00000 -0.00000 0.00000 184 21 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 185 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 186 22 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 187 2S 0.00001 0.00000 0.00000 -0.00000 0.00000 188 23 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 189 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 190 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 191 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 192 25 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 193 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 194 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 196 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 197 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 161 162 163 164 165 161 4XZ 0.00095 162 4YZ 0.00000 0.00135 163 17 O 1S -0.00000 -0.00003 2.07835 164 2S 0.00005 0.00028 -0.04266 0.50925 165 2PX 0.00000 0.00014 0.00000 0.00000 0.77860 166 2PY 0.00023 0.00041 0.00000 0.00000 -0.00000 167 2PZ 0.00109 0.00354 0.00000 0.00000 0.00000 168 3S 0.00002 0.00014 -0.04014 0.44278 0.00000 169 3PX 0.00006 0.00004 0.00000 0.00000 0.26018 170 3PY 0.00009 0.00008 0.00000 0.00000 -0.00000 171 3PZ 0.00117 0.00357 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 -0.00039 -0.00564 0.00000 173 4YY 0.00002 0.00002 -0.00037 -0.00511 0.00000 174 4ZZ 0.00000 0.00001 -0.00047 -0.00290 0.00000 175 4XY -0.00000 0.00003 0.00000 0.00000 0.00000 176 4XZ -0.00001 0.00012 0.00000 -0.00000 0.00000 177 4YZ 0.00012 0.00033 0.00000 -0.00000 0.00000 178 18 H 1S -0.00003 0.00005 0.00000 -0.00007 -0.00001 179 2S -0.00001 0.00002 0.00005 -0.00147 -0.00036 180 19 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 181 2S -0.00002 0.00001 -0.00000 0.00003 0.00021 182 20 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 183 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 184 21 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 185 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 186 22 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 188 23 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 189 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 190 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 191 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 192 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 194 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 196 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 197 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 2PY 0.65639 167 2PZ -0.00000 0.55744 168 3S 0.00000 0.00000 0.74991 169 3PX -0.00000 0.00000 0.00000 0.35115 170 3PY 0.17777 -0.00000 0.00000 -0.00000 0.19610 171 3PZ -0.00000 0.18068 0.00000 0.00000 -0.00000 172 4XX 0.00000 0.00000 -0.00843 0.00000 0.00000 173 4YY 0.00000 0.00000 -0.01663 0.00000 0.00000 174 4ZZ 0.00000 0.00000 -0.00386 0.00000 0.00000 175 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 178 18 H 1S -0.00047 0.00000 -0.00035 -0.00031 -0.00793 179 2S -0.01193 0.00006 0.00553 -0.00153 -0.03880 180 19 H 1S 0.00000 0.00000 0.00001 0.00004 0.00002 181 2S 0.00006 0.00001 0.00043 0.00207 0.00044 182 20 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 183 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 184 21 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 185 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 186 22 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 187 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 188 23 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 189 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 190 24 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 191 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 192 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 194 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 196 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 197 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 171 172 173 174 175 171 3PZ 0.23441 172 4XX 0.00000 0.00105 173 4YY 0.00000 -0.00004 0.00280 174 4ZZ 0.00000 0.00002 0.00005 0.00037 175 4XY 0.00000 0.00000 0.00000 -0.00000 0.00141 176 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 177 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 178 18 H 1S 0.00005 -0.00001 0.00005 -0.00000 0.00000 179 2S 0.00026 0.00011 -0.00091 -0.00004 0.00000 180 19 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 181 2S 0.00008 0.00000 -0.00000 -0.00000 0.00001 182 20 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 184 21 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 185 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 22 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 187 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 188 23 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 190 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 191 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 192 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 196 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 197 2S -0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 4XZ 0.00047 177 4YZ 0.00000 0.00159 178 18 H 1S 0.00000 -0.00000 0.22341 179 2S -0.00000 -0.00000 0.13287 0.23081 180 19 H 1S 0.00000 0.00000 -0.00002 -0.00032 0.21724 181 2S 0.00000 0.00000 -0.00007 0.00335 0.11510 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00001 0.00003 184 21 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00001 185 2S 0.00000 0.00000 -0.00000 -0.00000 0.00076 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00000 -0.00000 0.00000 0.00000 0.00001 188 23 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 189 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 190 24 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 191 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 192 25 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 193 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 194 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 196 27 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 197 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 181 182 183 184 185 181 2S 0.16759 182 20 H 1S 0.00001 0.21370 183 2S 0.00022 0.11022 0.15687 184 21 H 1S 0.00073 -0.00047 -0.00710 0.21552 185 2S 0.00663 -0.00685 -0.01921 0.11019 0.15229 186 22 H 1S 0.00000 0.00000 0.00044 -0.00001 -0.00053 187 2S 0.00012 0.00043 0.00532 -0.00058 -0.00293 188 23 H 1S 0.00000 -0.00001 -0.00077 0.00000 0.00040 189 2S 0.00000 -0.00068 -0.00370 0.00038 0.00444 190 24 H 1S -0.00000 -0.00000 -0.00001 -0.00000 0.00042 191 2S 0.00000 -0.00001 -0.00016 0.00031 0.00392 192 25 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 193 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 194 26 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 195 2S 0.00000 0.00000 -0.00001 0.00000 -0.00000 196 27 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 197 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 186 187 188 189 190 186 22 H 1S 0.21384 187 2S 0.11191 0.15837 188 23 H 1S -0.00048 -0.00740 0.21651 189 2S -0.00712 -0.02048 0.10899 0.14943 190 24 H 1S -0.00001 -0.00048 0.00000 0.00039 0.21772 191 2S -0.00041 -0.00156 0.00035 0.00454 0.11841 192 25 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 193 2S -0.00000 -0.00001 0.00000 0.00001 0.00086 194 26 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 195 2S -0.00000 -0.00000 -0.00000 0.00000 0.00003 196 27 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 197 2S 0.00000 0.00002 0.00000 -0.00000 0.00003 191 192 193 194 195 191 2S 0.17495 192 25 H 1S 0.00078 0.21236 193 2S 0.00726 0.10528 0.13643 194 26 H 1S 0.00001 -0.00041 -0.00569 0.21141 195 2S 0.00022 -0.00609 -0.01523 0.10977 0.15165 196 27 H 1S 0.00001 -0.00041 -0.00570 -0.00042 -0.00725 197 2S 0.00025 -0.00607 -0.01531 -0.00723 -0.02362 196 197 196 27 H 1S 0.21137 197 2S 0.10957 0.15130 Gross orbital populations: 1 1 1 C 1S 1.99188 2 2S 0.67789 3 2PX 0.70620 4 2PY 0.71390 5 2PZ 0.71229 6 3S 0.64501 7 3PX 0.32692 8 3PY 0.34531 9 3PZ 0.35825 10 4XX -0.00075 11 4YY 0.00672 12 4ZZ 0.00438 13 4XY 0.00540 14 4XZ 0.01097 15 4YZ 0.00212 16 2 C 1S 1.99192 17 2S 0.71230 18 2PX 0.74623 19 2PY 0.71967 20 2PZ 0.57089 21 3S 0.45480 22 3PX 0.14545 23 3PY 0.08619 24 3PZ 0.37738 25 4XX 0.00123 26 4YY 0.00112 27 4ZZ -0.02245 28 4XY 0.01297 29 4XZ 0.00721 30 4YZ 0.00502 31 3 C 1S 1.99189 32 2S 0.67614 33 2PX 0.72166 34 2PY 0.70111 35 2PZ 0.71364 36 3S 0.64562 37 3PX 0.36837 38 3PY 0.30761 39 3PZ 0.35984 40 4XX 0.00391 41 4YY -0.00135 42 4ZZ 0.00425 43 4XY 0.00834 44 4XZ 0.00769 45 4YZ 0.00571 46 4 H 1S 0.52882 47 2S 0.31749 48 5 H 1S 0.52332 49 2S 0.32103 50 6 H 1S 0.52357 51 2S 0.32227 52 7 C 1S 1.99194 53 2S 0.70478 54 2PX 0.73780 55 2PY 0.72656 56 2PZ 0.59205 57 3S 0.51801 58 3PX 0.20708 59 3PY 0.23340 60 3PZ 0.44348 61 4XX 0.00237 62 4YY 0.01198 63 4ZZ -0.02358 64 4XY 0.00868 65 4XZ 0.00682 66 4YZ 0.00145 67 8 C 1S 1.99216 68 2S 0.67957 69 2PX 0.69343 70 2PY 0.72205 71 2PZ 0.69242 72 3S 0.60692 73 3PX 0.28081 74 3PY 0.31971 75 3PZ 0.29452 76 4XX -0.00280 77 4YY 0.00780 78 4ZZ 0.00133 79 4XY 0.00520 80 4XZ 0.01021 81 4YZ 0.00461 82 9 C 1S 1.99218 83 2S 0.68147 84 2PX 0.69062 85 2PY 0.72028 86 2PZ 0.69728 87 3S 0.61857 88 3PX 0.26041 89 3PY 0.33344 90 3PZ 0.31224 91 4XX -0.00207 92 4YY 0.00780 93 4ZZ 0.00156 94 4XY 0.00503 95 4XZ 0.00835 96 4YZ 0.00546 97 10 C 1S 1.99210 98 2S 0.72562 99 2PX 0.74859 100 2PY 0.75534 101 2PZ 0.50372 102 3S 0.47921 103 3PX 0.15410 104 3PY 0.09683 105 3PZ 0.31800 106 4XX 0.00055 107 4YY 0.00168 108 4ZZ -0.02274 109 4XY 0.01313 110 4XZ 0.00613 111 4YZ 0.00643 112 11 C 1S 1.99189 113 2S 0.67570 114 2PX 0.75175 115 2PY 0.68676 116 2PZ 0.71072 117 3S 0.64837 118 3PX 0.39132 119 3PY 0.29603 120 3PZ 0.35329 121 4XX 0.00756 122 4YY -0.00195 123 4ZZ 0.00451 124 4XY 0.00587 125 4XZ 0.00579 126 4YZ 0.00668 127 12 H 1S 0.51614 128 2S 0.27288 129 13 H 1S 0.52025 130 2S 0.30973 131 14 H 1S 0.52463 132 2S 0.32451 133 15 C 1S 1.99185 134 2S 0.70484 135 2PX 0.73604 136 2PY 0.74079 137 2PZ 0.60825 138 3S 0.54171 139 3PX 0.19451 140 3PY 0.23875 141 3PZ 0.47713 142 4XX 0.00342 143 4YY 0.01185 144 4ZZ -0.02304 145 4XY 0.00908 146 4XZ 0.00346 147 4YZ 0.00203 148 16 C 1S 1.99198 149 2S 0.73050 150 2PX 0.74339 151 2PY 0.74170 152 2PZ 0.47629 153 3S 0.45776 154 3PX 0.17902 155 3PY 0.11060 156 3PZ 0.29455 157 4XX 0.00506 158 4YY 0.02029 159 4ZZ -0.02622 160 4XY 0.03104 161 4XZ 0.00762 162 4YZ 0.01041 163 17 O 1S 1.99254 164 2S 0.91208 165 2PX 1.08923 166 2PY 0.97228 167 2PZ 0.80210 168 3S 1.02429 169 3PX 0.63468 170 3PY 0.46082 171 3PZ 0.53192 172 4XX -0.01116 173 4YY -0.00233 174 4ZZ -0.00720 175 4XY 0.00787 176 4XZ 0.00226 177 4YZ 0.00809 178 18 H 1S 0.53773 179 2S 0.36562 180 19 H 1S 0.53292 181 2S 0.34490 182 20 H 1S 0.52670 183 2S 0.31975 184 21 H 1S 0.53136 185 2S 0.32241 186 22 H 1S 0.52757 187 2S 0.32248 188 23 H 1S 0.53310 189 2S 0.31940 190 24 H 1S 0.53399 191 2S 0.35306 192 25 H 1S 0.52713 193 2S 0.32050 194 26 H 1S 0.52410 195 2S 0.32501 196 27 H 1S 0.52400 197 2S 0.32431 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.176302 0.364090 -0.088331 0.005201 -0.002239 -0.001993 2 C 0.364090 4.587678 0.379609 -0.024351 -0.032179 -0.031415 3 C -0.088331 0.379609 5.188990 0.360231 0.364728 0.364140 4 H 0.005201 -0.024351 0.360231 0.557954 -0.027975 -0.028178 5 H -0.002239 -0.032179 0.364728 -0.027975 0.574702 -0.036849 6 H -0.001993 -0.031415 0.364140 -0.028178 -0.036849 0.576492 7 C -0.025795 0.721719 -0.048874 -0.006509 0.000381 -0.000460 8 C 0.007018 -0.023583 -0.021117 0.002216 0.000302 0.000693 9 C -0.000079 -0.001707 0.000330 -0.000138 -0.000023 0.000046 10 C 0.000002 0.000014 -0.000005 0.000014 0.000001 -0.000002 11 C 0.000000 -0.000002 -0.000011 -0.000008 -0.000000 0.000001 12 H 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 13 H -0.000000 -0.000001 -0.000001 -0.000020 0.000000 -0.000000 14 H -0.000000 -0.000001 0.000001 0.000032 -0.000000 0.000000 15 C -0.000000 -0.000001 -0.000000 -0.000000 -0.000000 0.000000 16 C 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 17 O -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 18 H -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 19 H -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 20 H -0.000049 0.001086 0.000222 0.000011 0.000005 -0.000050 21 H -0.000006 0.000212 0.000007 0.000003 0.000000 0.000000 22 H -0.000186 0.000027 0.000435 -0.000152 0.000044 -0.000023 23 H 0.000049 -0.006237 0.002986 0.008290 -0.000210 -0.000207 24 H -0.017442 -0.031399 0.007863 -0.000037 -0.000173 -0.000186 25 H 0.363487 -0.029018 0.005177 -0.000185 -0.000042 -0.000028 26 H 0.363399 -0.032340 -0.001101 -0.000053 -0.000861 0.004720 27 H 0.363068 -0.032271 -0.000845 -0.000033 0.004734 -0.000861 7 8 9 10 11 12 1 C -0.025795 0.007018 -0.000079 0.000002 0.000000 0.000000 2 C 0.721719 -0.023583 -0.001707 0.000014 -0.000002 -0.000000 3 C -0.048874 -0.021117 0.000330 -0.000005 -0.000011 -0.000000 4 H -0.006509 0.002216 -0.000138 0.000014 -0.000008 0.000000 5 H 0.000381 0.000302 -0.000023 0.000001 -0.000000 0.000000 6 H -0.000460 0.000693 0.000046 -0.000002 0.000001 0.000000 7 C 4.926274 0.361637 -0.042500 0.003929 0.000095 -0.000000 8 C 0.361637 5.093407 0.344577 -0.038393 -0.001615 0.000095 9 C -0.042500 0.344577 5.149932 0.355369 -0.076724 0.004090 10 C 0.003929 -0.038393 0.355369 4.671724 0.375646 -0.017825 11 C 0.000095 -0.001615 -0.076724 0.375646 5.235396 0.350451 12 H -0.000000 0.000095 0.004090 -0.017825 0.350451 0.480089 13 H 0.000033 0.002038 -0.002157 -0.027093 0.362142 -0.023453 14 H -0.000046 -0.001175 -0.003097 -0.032179 0.352489 -0.020251 15 C -0.000026 -0.004171 -0.019657 0.614830 -0.048031 -0.014013 16 C 0.000002 -0.000111 0.005043 -0.020819 -0.012034 0.000747 17 O 0.000000 0.000002 0.000046 -0.002131 -0.014732 0.028537 18 H -0.000000 0.000001 -0.000182 0.006989 -0.000186 0.000659 19 H -0.000023 0.000277 -0.013661 -0.041247 0.007019 0.000060 20 H 0.000325 -0.040108 0.354320 -0.029120 -0.004689 0.000021 21 H -0.002424 -0.038497 0.363688 -0.036017 0.005622 -0.000140 22 H -0.031091 0.365647 -0.047875 0.000910 -0.000686 -0.000019 23 H -0.035134 0.363785 -0.034762 -0.005838 0.004152 -0.000025 24 H 0.349228 -0.064684 -0.002270 -0.000070 0.000004 0.000000 25 H -0.005096 0.000008 -0.000004 0.000000 -0.000000 0.000000 26 H -0.001445 -0.000122 0.000015 -0.000000 0.000000 -0.000000 27 H -0.001374 -0.000217 -0.000004 0.000000 -0.000000 0.000000 13 14 15 16 17 18 1 C -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 2 C -0.000001 -0.000001 -0.000001 -0.000000 -0.000000 0.000000 3 C -0.000001 0.000001 -0.000000 -0.000000 0.000000 0.000000 4 H -0.000020 0.000032 -0.000000 0.000000 0.000000 0.000000 5 H 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 6 H -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 7 C 0.000033 -0.000046 -0.000026 0.000002 0.000000 -0.000000 8 C 0.002038 -0.001175 -0.004171 -0.000111 0.000002 0.000001 9 C -0.002157 -0.003097 -0.019657 0.005043 0.000046 -0.000182 10 C -0.027093 -0.032179 0.614830 -0.020819 -0.002131 0.006989 11 C 0.362142 0.352489 -0.048031 -0.012034 -0.014732 -0.000186 12 H -0.023453 -0.020251 -0.014013 0.000747 0.028537 0.000659 13 H 0.550965 -0.032426 -0.002116 0.000420 0.000292 0.000003 14 H -0.032426 0.577247 0.001843 0.000283 0.000489 0.000016 15 C -0.002116 0.001843 5.260330 0.318442 -0.076926 -0.115942 16 C 0.000420 0.000283 0.318442 4.621752 0.547639 0.347198 17 O 0.000292 0.000489 -0.076926 0.547639 7.988937 -0.058092 18 H 0.000003 0.000016 -0.115942 0.347198 -0.058092 0.719948 19 H -0.000177 -0.000153 0.330377 -0.034535 0.003412 0.002933 20 H -0.000031 0.005433 0.000752 -0.000172 0.000004 0.000005 21 H -0.000099 0.000026 -0.007258 0.000166 0.000001 -0.000004 22 H 0.000339 0.000134 0.002214 -0.000047 -0.000000 0.000002 23 H 0.001319 0.000477 0.000028 0.000010 0.000000 0.000000 24 H -0.000000 0.000000 -0.000006 -0.000000 -0.000000 0.000000 25 H -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 26 H -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 27 H 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 19 20 21 22 23 24 1 C -0.000000 -0.000049 -0.000006 -0.000186 0.000049 -0.017442 2 C 0.000000 0.001086 0.000212 0.000027 -0.006237 -0.031399 3 C 0.000000 0.000222 0.000007 0.000435 0.002986 0.007863 4 H -0.000000 0.000011 0.000003 -0.000152 0.008290 -0.000037 5 H -0.000000 0.000005 0.000000 0.000044 -0.000210 -0.000173 6 H 0.000000 -0.000050 0.000000 -0.000023 -0.000207 -0.000186 7 C -0.000023 0.000325 -0.002424 -0.031091 -0.035134 0.349228 8 C 0.000277 -0.040108 -0.038497 0.365647 0.363785 -0.064684 9 C -0.013661 0.354320 0.363688 -0.047875 -0.034762 -0.002270 10 C -0.041247 -0.029120 -0.036017 0.000910 -0.005838 -0.000070 11 C 0.007019 -0.004689 0.005622 -0.000686 0.004152 0.000004 12 H 0.000060 0.000021 -0.000140 -0.000019 -0.000025 0.000000 13 H -0.000177 -0.000031 -0.000099 0.000339 0.001319 -0.000000 14 H -0.000153 0.005433 0.000026 0.000134 0.000477 0.000000 15 C 0.330377 0.000752 -0.007258 0.002214 0.000028 -0.000006 16 C -0.034535 -0.000172 0.000166 -0.000047 0.000010 -0.000000 17 O 0.003412 0.000004 0.000001 -0.000000 0.000000 -0.000000 18 H 0.002933 0.000005 -0.000004 0.000002 0.000000 0.000000 19 H 0.615028 0.000257 0.008109 0.000136 0.000000 0.000001 20 H 0.000257 0.591017 -0.033631 0.006195 -0.005162 -0.000177 21 H 0.008109 -0.033631 0.588182 -0.004045 0.005226 0.004645 22 H 0.000136 0.006195 -0.004045 0.596022 -0.035479 -0.002464 23 H 0.000000 -0.005162 0.005226 -0.035479 0.583922 0.005288 24 H 0.000001 -0.000177 0.004645 -0.002464 0.005288 0.629491 25 H -0.000000 -0.000001 0.000003 -0.000010 0.000013 0.008898 26 H 0.000000 -0.000006 -0.000000 -0.000004 0.000000 0.000255 27 H -0.000000 0.000001 0.000000 0.000019 -0.000000 0.000287 25 26 27 1 C 0.363487 0.363399 0.363068 2 C -0.029018 -0.032340 -0.032271 3 C 0.005177 -0.001101 -0.000845 4 H -0.000185 -0.000053 -0.000033 5 H -0.000042 -0.000861 0.004734 6 H -0.000028 0.004720 -0.000861 7 C -0.005096 -0.001445 -0.001374 8 C 0.000008 -0.000122 -0.000217 9 C -0.000004 0.000015 -0.000004 10 C 0.000000 -0.000000 0.000000 11 C -0.000000 0.000000 -0.000000 12 H 0.000000 -0.000000 0.000000 13 H -0.000000 -0.000000 0.000000 14 H -0.000000 0.000000 -0.000000 15 C 0.000000 0.000000 -0.000000 16 C 0.000000 -0.000000 -0.000000 17 O -0.000000 0.000000 -0.000000 18 H -0.000000 0.000000 -0.000000 19 H -0.000000 0.000000 -0.000000 20 H -0.000001 -0.000006 0.000001 21 H 0.000003 -0.000000 0.000000 22 H -0.000010 -0.000004 0.000019 23 H 0.000013 0.000000 -0.000000 24 H 0.008898 0.000255 0.000287 25 H 0.559342 -0.027419 -0.027496 26 H -0.027419 0.582590 -0.038519 27 H -0.027496 -0.038519 0.581820 Mulliken charges: 1 1 C -0.506497 2 C 0.190070 3 C -0.514435 4 H 0.153686 5 H 0.155654 6 H 0.154160 7 C -0.162825 8 C -0.307910 9 C -0.332615 10 C 0.221311 11 C -0.534298 12 H 0.210977 13 H 0.170022 14 H 0.150857 15 C -0.240669 16 C 0.226017 17 O -0.417479 18 H 0.096651 19 H 0.122186 20 H 0.153542 21 H 0.146230 22 H 0.149957 23 H 0.147506 24 H 0.112947 25 H 0.152371 26 H 0.150892 27 H 0.151691 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.051543 2 C 0.190070 3 C -0.050935 7 C -0.049878 8 C -0.010447 9 C -0.032844 10 C 0.221311 11 C -0.002441 15 C -0.118483 16 C 0.322668 17 O -0.417479 Electronic spatial extent (au): = 3351.9131 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= -3.3095 Y= -0.9466 Z= 0.5272 Tot= 3.4824 Quadrupole moment (field-independent basis, Debye-Ang): XX= -81.9765 YY= -65.1498 ZZ= -69.1032 XY= -7.0761 XZ= 1.2422 YZ= 0.5190 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -9.9000 YY= 6.9267 ZZ= 2.9733 XY= -7.0761 XZ= 1.2422 YZ= 0.5190 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -91.3794 YYY= -1.5383 ZZZ= -0.4059 XYY= 7.8937 XXY= -26.6723 XXZ= 9.5949 XZZ= 5.3250 YZZ= 3.2488 YYZ= -0.4997 XYZ= 2.3366 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -4236.4393 YYYY= -454.7991 ZZZZ= -147.9497 XXXY= -150.9628 XXXZ= 38.3787 YYYX= 9.1026 YYYZ= -1.3090 ZZZX= -12.2693 ZZZY= 1.2639 XXYY= -699.7481 XXZZ= -667.7834 YYZZ= -102.1734 XXYZ= 8.8736 YYXZ= -0.8408 ZZXY= 0.0921 N-N= 5.686278314647D+02 E-N=-2.217400409284D+03 KE= 4.613256552623D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.134214 29.027813 2 O -10.265702 15.883910 3 O -10.222190 15.883794 4 O -10.197122 15.884535 5 O -10.195583 15.882478 6 O -10.194771 15.885498 7 O -10.188137 15.879392 8 O -10.184142 15.882126 9 O -10.181890 15.882038 10 O -10.181089 15.881421 11 O -10.180995 15.881749 12 O -1.027240 2.666470 13 O -0.833936 1.422245 14 O -0.810670 1.469292 15 O -0.758953 1.452182 16 O -0.713783 1.467669 17 O -0.694341 1.339737 18 O -0.685262 1.448195 19 O -0.630468 1.507499 20 O -0.593150 1.489377 21 O -0.526209 1.216346 22 O -0.507980 1.439558 23 O -0.487423 1.130725 24 O -0.474757 1.066928 25 O -0.450568 1.219612 26 O -0.441525 1.264700 27 O -0.433980 0.907840 28 O -0.422039 1.618267 29 O -0.417896 1.097982 30 O -0.411471 1.316870 31 O -0.387235 1.015527 32 O -0.383114 1.233692 33 O -0.378432 1.550579 34 O -0.373729 1.232263 35 O -0.372592 1.161783 36 O -0.369385 1.366988 37 O -0.353225 1.328233 38 O -0.345922 1.281300 39 O -0.327850 1.358888 40 O -0.260120 1.345261 41 O -0.242743 2.040270 42 O -0.234688 1.351796 43 V -0.055673 1.642581 44 V 0.024780 1.366453 45 V 0.077935 1.665100 46 V 0.083064 0.969427 47 V 0.100084 0.984524 48 V 0.103325 0.929420 49 V 0.122631 1.007450 50 V 0.133915 1.058821 51 V 0.141166 0.937336 52 V 0.151567 1.064168 53 V 0.154911 1.087327 54 V 0.162030 1.015769 55 V 0.171169 1.002923 56 V 0.175273 1.055508 57 V 0.181846 0.974988 58 V 0.183555 1.184660 59 V 0.200155 1.233744 60 V 0.213221 1.334616 61 V 0.221395 1.546481 62 V 0.232941 1.504193 63 V 0.242676 1.561958 64 V 0.245517 1.403044 65 V 0.256784 1.708076 66 V 0.283181 1.830669 67 V 0.298175 1.654907 68 V 0.334958 1.403506 69 V 0.374059 1.838430 70 V 0.430931 1.791236 71 V 0.446785 1.480494 72 V 0.494264 1.856643 73 V 0.504831 1.761720 74 V 0.513101 1.948345 75 V 0.521786 2.019091 76 V 0.532233 1.979805 77 V 0.538817 2.047123 78 V 0.547077 2.041553 79 V 0.556058 1.979015 80 V 0.572236 2.197277 81 V 0.584159 2.181697 82 V 0.598819 1.954052 83 V 0.613989 2.130138 84 V 0.630580 2.209625 85 V 0.634726 1.939556 86 V 0.643923 2.031283 87 V 0.681903 2.145920 88 V 0.699017 2.828708 89 V 0.710533 2.457694 90 V 0.713676 2.343738 91 V 0.724889 2.378544 92 V 0.728042 2.381109 93 V 0.741035 2.232038 94 V 0.773576 2.478738 95 V 0.783403 2.344417 96 V 0.799599 2.361593 97 V 0.808883 2.603833 98 V 0.825522 2.360150 99 V 0.828072 2.461286 100 V 0.838760 2.600797 101 V 0.858618 2.661653 102 V 0.870276 2.552138 103 V 0.876215 2.513510 104 V 0.883139 2.450737 105 V 0.889670 2.520370 106 V 0.893516 2.450391 107 V 0.901323 2.508489 108 V 0.912046 2.542093 109 V 0.926793 2.411734 110 V 0.945806 2.633894 111 V 0.949524 2.578509 112 V 0.963852 2.651826 113 V 0.969878 2.676138 114 V 0.984540 2.889324 115 V 0.997306 2.519558 116 V 1.012451 3.023424 117 V 1.024929 2.751851 118 V 1.056173 2.632330 119 V 1.107441 2.518615 120 V 1.145219 2.413900 121 V 1.172061 2.166956 122 V 1.205041 3.062021 123 V 1.220781 2.328414 124 V 1.247434 2.366733 125 V 1.310660 2.529245 126 V 1.318288 2.478801 127 V 1.352633 2.463386 128 V 1.367589 2.530490 129 V 1.403764 2.571171 130 V 1.432571 2.579489 131 V 1.453387 2.582828 132 V 1.468264 2.586691 133 V 1.483016 2.645307 134 V 1.534107 2.755652 135 V 1.537787 2.646961 136 V 1.601320 2.717225 137 V 1.619750 2.802225 138 V 1.682657 2.811183 139 V 1.719187 3.033015 140 V 1.754404 3.077637 141 V 1.799466 3.090964 142 V 1.810228 3.136655 143 V 1.817946 2.947370 144 V 1.842270 3.156911 145 V 1.845812 3.117454 146 V 1.857180 3.244095 147 V 1.877270 3.113085 148 V 1.903689 3.153103 149 V 1.905663 3.150801 150 V 1.915715 3.283022 151 V 1.943223 3.284285 152 V 1.985481 3.291426 153 V 2.014366 3.307373 154 V 2.017863 3.459291 155 V 2.029499 3.264114 156 V 2.070522 3.345646 157 V 2.079792 3.367187 158 V 2.120575 3.491351 159 V 2.134683 3.498154 160 V 2.146678 3.382924 161 V 2.214899 3.571480 162 V 2.220748 3.581080 163 V 2.263114 3.814558 164 V 2.273852 3.682312 165 V 2.287603 3.809320 166 V 2.314103 3.690670 167 V 2.350467 3.717888 168 V 2.371925 3.736640 169 V 2.387620 3.741017 170 V 2.406842 3.822705 171 V 2.421011 3.780015 172 V 2.445535 3.844309 173 V 2.481629 3.950379 174 V 2.494208 3.982642 175 V 2.528536 4.096756 176 V 2.573073 4.051883 177 V 2.594478 4.184569 178 V 2.648366 4.235662 179 V 2.664515 3.955432 180 V 2.713430 4.305390 181 V 2.799058 4.378466 182 V 2.877078 4.717517 183 V 2.890425 4.794691 184 V 2.941194 4.948424 185 V 3.056174 4.842045 186 V 3.163448 5.108162 187 V 3.915416 10.386434 188 V 4.078117 10.273113 189 V 4.106411 10.284193 190 V 4.161632 10.384904 191 V 4.246968 10.354470 192 V 4.280955 10.295338 193 V 4.305723 10.276447 194 V 4.317015 10.181631 195 V 4.469536 10.411637 196 V 4.550990 10.164182 197 V 4.571072 10.191785 Total kinetic energy from orbitals= 4.613256552623D+02 Running external command "gaunbo6 R" input file "/scratch/webmo-13362/513792/Gau-19027.EIn" output file "/scratch/webmo-13362/513792/Gau-19027.EOu" message file "/scratch/webmo-13362/513792/Gau-19027.EMs" fchk file "/scratch/webmo-13362/513792/Gau-19027.EFC" mat. el file "/scratch/webmo-13362/513792/Gau-19027.EUF" Writing WrtUnf unformatted file "/scratch/webmo-13362/513792/Gau-19027.EUF" Gaussian matrix elements Version 2 NLab=11 Len12L=8 Len4L=8 Write SHELL TO ATOM MAP from file 0 offset 0 length 76 to matrix element file. Write SHELL TYPES from file 0 offset 0 length 76 to matrix element file. Write NUMBER OF PRIMITIVES PER SHELL from file 0 offset 0 length 76 to matrix element file. Write PRIMITIVE EXPONENTS from file 0 offset 0 length 185 to matrix element file. Write CONTRACTION COEFFICIENTS from file 0 offset 0 length 185 to matrix element file. Write P(S=P) CONTRACTION COEFFICIENTS from file 0 offset 0 length 185 to matrix element file. Write COORDINATES OF EACH SHELL from file 0 offset 0 length 228 to matrix element file. Write BONDS PER ATOM from file 0 offset 0 length 27 to matrix element file. Write BONDED ATOMS from file 0 offset 0 length 52 to matrix element file. Write BOND TYPES from file 0 offset 0 length 52 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 27 to matrix element file. Write ONIOM ATOM MODIFIERS from file 0 offset 0 length 27 to matrix element file. Write ONIOM ATOM TYPES from file 0 offset 0 length 27 to matrix element file. Write ONIOM LINK ATOMS from file 0 offset 0 length 27 to matrix element file. Write ONIOM LINK CHARGES from file 0 offset 0 length 27 to matrix element file. Write ONIOM LINK DISTANCES from file 0 offset 0 length 108 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 27 to matrix element file. Write INTEGER ISO from file 0 offset 0 length 27 to matrix element file. Write INTEGER SPIN from file 0 offset 0 length 27 to matrix element file. Write REAL ZEFFECTIVE from file 0 offset 0 length 27 to matrix element file. Write REAL GFACTOR from file 0 offset 0 length 27 to matrix element file. Write REAL ZNUCLEAR from file 0 offset 0 length 27 to matrix element file. Write MULLIKEN CHARGES from file 0 offset 0 length 27 to matrix element file. Write NUCLEAR GRADIENT from file 10584 offset 0 length 81 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 81 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 19503 to matrix element file. Write CORE HAMILTONIAN ALPHA from file 10515 offset 0 length 19503 to matrix element file. Write CORE HAMILTONIAN BETA from file 10515 offset 19503 length 19503 to matrix element file. Write KINETIC ENERGY from file 10516 offset 0 length 19503 to matrix element file. Write ORTHOGONAL BASIS from file 10685 offset 0 length 38809 to matrix element file. Write DIPOLE INTEGRALS from file 10518 offset 0 length 58509 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 197 to matrix element file. Write ALPHA MO COEFFICIENTS from file 10524 offset 0 length 38809 to matrix element file. Write ALPHA DENSITY MATRIX from file 0 offset 0 length 19503 to matrix element file. Write ALPHA FOCK MATRIX from file 10536 offset 0 length 19503 to matrix element file. Write ENERGY-WEIGHTED DENSITY from file 10571 offset 0 length 19503 to matrix element file. Write ALPHA SCF DENSITY MATRIX from file 0 offset 0 length 19503 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: Geranial C10H16O NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ------------------------------------------------------- 1 C 1 s Cor( 1s) 1.99999 -10.18186 2 C 1 s Val( 2s) 1.10444 -0.18168 3 C 1 s Ryd( 3s) 0.00020 1.27702 4 C 1 s Ryd( 4s) 0.00003 4.25195 5 C 1 px Val( 2p) 1.13607 -0.06269 6 C 1 px Ryd( 3p) 0.00105 0.56829 7 C 1 py Val( 2p) 1.20839 -0.07662 8 C 1 py Ryd( 3p) 0.00232 0.67079 9 C 1 pz Val( 2p) 1.23540 -0.08521 10 C 1 pz Ryd( 3p) 0.00018 0.63570 11 C 1 dxy Ryd( 3d) 0.00058 2.07744 12 C 1 dxz Ryd( 3d) 0.00129 2.11089 13 C 1 dyz Ryd( 3d) 0.00035 1.83369 14 C 1 dx2y2 Ryd( 3d) 0.00103 2.17571 15 C 1 dz2 Ryd( 3d) 0.00097 2.10809 16 C 2 s Cor( 1s) 2.00000 -10.19554 17 C 2 s Val( 2s) 0.89747 -0.07090 18 C 2 s Ryd( 3s) 0.00038 1.00012 19 C 2 s Ryd( 4s) 0.00007 4.32104 20 C 2 px Val( 2p) 1.07105 0.00146 21 C 2 px Ryd( 3p) 0.00271 0.86562 22 C 2 py Val( 2p) 1.04241 -0.00367 23 C 2 py Ryd( 3p) 0.00352 1.03088 24 C 2 pz Val( 2p) 0.98440 -0.08354 25 C 2 pz Ryd( 3p) 0.00235 0.69384 26 C 2 dxy Ryd( 3d) 0.00082 2.39337 27 C 2 dxz Ryd( 3d) 0.00078 2.00503 28 C 2 dyz Ryd( 3d) 0.00041 1.93177 29 C 2 dx2y2 Ryd( 3d) 0.00084 2.37275 30 C 2 dz2 Ryd( 3d) 0.00056 2.20207 31 C 3 s Cor( 1s) 1.99999 -10.18411 32 C 3 s Val( 2s) 1.10145 -0.18166 33 C 3 s Ryd( 3s) 0.00021 1.29621 34 C 3 s Ryd( 4s) 0.00002 4.25821 35 C 3 px Val( 2p) 1.24670 -0.08652 36 C 3 px Ryd( 3p) 0.00222 0.69077 37 C 3 py Val( 2p) 1.10243 -0.05511 38 C 3 py Ryd( 3p) 0.00093 0.54864 39 C 3 pz Val( 2p) 1.24177 -0.08917 40 C 3 pz Ryd( 3p) 0.00024 0.64654 41 C 3 dxy Ryd( 3d) 0.00083 2.10816 42 C 3 dxz Ryd( 3d) 0.00115 2.06403 43 C 3 dyz Ryd( 3d) 0.00053 1.88154 44 C 3 dx2y2 Ryd( 3d) 0.00075 2.14665 45 C 3 dz2 Ryd( 3d) 0.00092 2.09542 46 H 4 s Val( 1s) 0.76502 0.10289 47 H 4 s Ryd( 2s) 0.00067 0.72493 48 H 5 s Val( 1s) 0.75819 0.09136 49 H 5 s Ryd( 2s) 0.00120 0.66762 50 H 6 s Val( 1s) 0.75892 0.09056 51 H 6 s Ryd( 2s) 0.00116 0.66767 52 C 7 s Cor( 1s) 2.00000 -10.18098 53 C 7 s Val( 2s) 0.95560 -0.08259 54 C 7 s Ryd( 3s) 0.00104 1.11800 55 C 7 s Ryd( 4s) 0.00006 4.23026 56 C 7 px Val( 2p) 1.04882 0.01304 57 C 7 px Ryd( 3p) 0.00238 0.79310 58 C 7 py Val( 2p) 1.17567 -0.03479 59 C 7 py Ryd( 3p) 0.00402 1.03663 60 C 7 pz Val( 2p) 1.03838 -0.09123 61 C 7 pz Ryd( 3p) 0.00265 0.66101 62 C 7 dxy Ryd( 3d) 0.00072 2.31163 63 C 7 dxz Ryd( 3d) 0.00070 2.02893 64 C 7 dyz Ryd( 3d) 0.00022 1.83090 65 C 7 dx2y2 Ryd( 3d) 0.00121 2.36093 66 C 7 dz2 Ryd( 3d) 0.00076 2.18420 67 C 8 s Cor( 1s) 1.99999 -10.19473 68 C 8 s Val( 2s) 1.03917 -0.16050 69 C 8 s Ryd( 3s) 0.00076 1.40782 70 C 8 s Ryd( 4s) 0.00003 4.34467 71 C 8 px Val( 2p) 1.05901 -0.05214 72 C 8 px Ryd( 3p) 0.00216 0.73043 73 C 8 py Val( 2p) 1.21875 -0.08159 74 C 8 py Ryd( 3p) 0.00375 0.84946 75 C 8 pz Val( 2p) 1.14303 -0.07443 76 C 8 pz Ryd( 3p) 0.00119 0.68039 77 C 8 dxy Ryd( 3d) 0.00041 2.05917 78 C 8 dxz Ryd( 3d) 0.00097 2.15133 79 C 8 dyz Ryd( 3d) 0.00056 1.95938 80 C 8 dx2y2 Ryd( 3d) 0.00118 2.23979 81 C 8 dz2 Ryd( 3d) 0.00099 2.11917 82 C 9 s Cor( 1s) 1.99999 -10.19708 83 C 9 s Val( 2s) 1.04255 -0.16719 84 C 9 s Ryd( 3s) 0.00068 1.43411 85 C 9 s Ryd( 4s) 0.00004 4.31072 86 C 9 px Val( 2p) 1.04217 -0.05518 87 C 9 px Ryd( 3p) 0.00163 0.71504 88 C 9 py Val( 2p) 1.22765 -0.09068 89 C 9 py Ryd( 3p) 0.00453 0.87783 90 C 9 pz Val( 2p) 1.15087 -0.08039 91 C 9 pz Ryd( 3p) 0.00106 0.67097 92 C 9 dxy Ryd( 3d) 0.00042 2.05044 93 C 9 dxz Ryd( 3d) 0.00076 2.13049 94 C 9 dyz Ryd( 3d) 0.00070 1.97033 95 C 9 dx2y2 Ryd( 3d) 0.00126 2.25898 96 C 9 dz2 Ryd( 3d) 0.00100 2.10545 97 C 10 s Cor( 1s) 2.00000 -10.22215 98 C 10 s Val( 2s) 0.90978 -0.09339 99 C 10 s Ryd( 3s) 0.00077 1.05056 100 C 10 s Ryd( 4s) 0.00006 4.31126 101 C 10 px Val( 2p) 1.04989 -0.01598 102 C 10 px Ryd( 3p) 0.00396 0.94077 103 C 10 py Val( 2p) 1.06367 -0.01636 104 C 10 py Ryd( 3p) 0.00347 1.01895 105 C 10 pz Val( 2p) 0.85609 -0.09864 106 C 10 pz Ryd( 3p) 0.00233 0.70620 107 C 10 dxy Ryd( 3d) 0.00094 2.37869 108 C 10 dxz Ryd( 3d) 0.00060 1.97105 109 C 10 dyz Ryd( 3d) 0.00061 1.93431 110 C 10 dx2y2 Ryd( 3d) 0.00081 2.37547 111 C 10 dz2 Ryd( 3d) 0.00052 2.20566 112 C 11 s Cor( 1s) 1.99999 -10.18105 113 C 11 s Val( 2s) 1.10586 -0.18286 114 C 11 s Ryd( 3s) 0.00024 1.30942 115 C 11 s Ryd( 4s) 0.00002 4.26510 116 C 11 px Val( 2p) 1.28651 -0.08833 117 C 11 px Ryd( 3p) 0.00265 0.72245 118 C 11 py Val( 2p) 1.08557 -0.05724 119 C 11 py Ryd( 3p) 0.00129 0.54360 120 C 11 pz Val( 2p) 1.23689 -0.08981 121 C 11 pz Ryd( 3p) 0.00047 0.65280 122 C 11 dxy Ryd( 3d) 0.00051 2.04129 123 C 11 dxz Ryd( 3d) 0.00100 1.99076 124 C 11 dyz Ryd( 3d) 0.00065 1.96264 125 C 11 dx2y2 Ryd( 3d) 0.00111 2.23086 126 C 11 dz2 Ryd( 3d) 0.00093 2.10583 127 H 12 s Val( 1s) 0.72067 0.14156 128 H 12 s Ryd( 2s) 0.00207 0.73908 129 H 13 s Val( 1s) 0.74747 0.08960 130 H 13 s Ryd( 2s) 0.00079 0.70391 131 H 14 s Val( 1s) 0.76027 0.08835 132 H 14 s Ryd( 2s) 0.00106 0.67742 133 C 15 s Cor( 1s) 2.00000 -10.18811 134 C 15 s Val( 2s) 0.99518 -0.11145 135 C 15 s Ryd( 3s) 0.00078 1.04318 136 C 15 s Ryd( 4s) 0.00010 4.19640 137 C 15 px Val( 2p) 1.08557 -0.02142 138 C 15 px Ryd( 3p) 0.00271 0.81648 139 C 15 py Val( 2p) 1.19066 -0.04659 140 C 15 py Ryd( 3p) 0.00440 1.04613 141 C 15 pz Val( 2p) 1.08906 -0.11044 142 C 15 pz Ryd( 3p) 0.00102 0.63428 143 C 15 dxy Ryd( 3d) 0.00080 2.32491 144 C 15 dxz Ryd( 3d) 0.00030 1.96938 145 C 15 dyz Ryd( 3d) 0.00032 1.83184 146 C 15 dx2y2 Ryd( 3d) 0.00115 2.36137 147 C 15 dz2 Ryd( 3d) 0.00070 2.17408 148 C 16 s Cor( 1s) 2.00000 -10.26567 149 C 16 s Val( 2s) 0.93877 -0.13941 150 C 16 s Ryd( 3s) 0.00625 1.16606 151 C 16 s Ryd( 4s) 0.00016 3.74103 152 C 16 px Val( 2p) 0.99245 -0.00245 153 C 16 px Ryd( 3p) 0.00527 0.65752 154 C 16 py Val( 2p) 0.91518 0.01099 155 C 16 py Ryd( 3p) 0.01284 0.89959 156 C 16 pz Val( 2p) 0.75534 -0.10785 157 C 16 pz Ryd( 3p) 0.00102 0.56989 158 C 16 dxy Ryd( 3d) 0.00250 2.40125 159 C 16 dxz Ryd( 3d) 0.00077 1.93445 160 C 16 dyz Ryd( 3d) 0.00127 2.00220 161 C 16 dx2y2 Ryd( 3d) 0.00271 2.35203 162 C 16 dz2 Ryd( 3d) 0.00063 2.16954 163 O 17 s Cor( 1s) 2.00000 -19.13412 164 O 17 s Val( 2s) 1.70990 -0.66741 165 O 17 s Ryd( 3s) 0.00103 1.82432 166 O 17 s Ryd( 4s) 0.00003 3.54212 167 O 17 px Val( 2p) 1.80896 -0.25284 168 O 17 px Ryd( 3p) 0.00244 1.18221 169 O 17 py Val( 2p) 1.64378 -0.26151 170 O 17 py Ryd( 3p) 0.00095 1.23863 171 O 17 pz Val( 2p) 1.36817 -0.23494 172 O 17 pz Ryd( 3p) 0.00051 1.01725 173 O 17 dxy Ryd( 3d) 0.00366 2.31890 174 O 17 dxz Ryd( 3d) 0.00082 1.87475 175 O 17 dyz Ryd( 3d) 0.00281 2.00018 176 O 17 dx2y2 Ryd( 3d) 0.00347 2.21539 177 O 17 dz2 Ryd( 3d) 0.00127 2.03659 178 H 18 s Val( 1s) 0.85228 0.04561 179 H 18 s Ryd( 2s) 0.00366 0.63664 180 H 19 s Val( 1s) 0.76912 0.09301 181 H 19 s Ryd( 2s) 0.00142 0.62353 182 H 20 s Val( 1s) 0.74908 0.09245 183 H 20 s Ryd( 2s) 0.00184 0.67351 184 H 21 s Val( 1s) 0.75881 0.09553 185 H 21 s Ryd( 2s) 0.00151 0.68418 186 H 22 s Val( 1s) 0.75297 0.09677 187 H 22 s Ryd( 2s) 0.00171 0.66515 188 H 23 s Val( 1s) 0.76579 0.10083 189 H 23 s Ryd( 2s) 0.00118 0.78967 190 H 24 s Val( 1s) 0.77942 0.09900 191 H 24 s Ryd( 2s) 0.00145 0.64468 192 H 25 s Val( 1s) 0.76233 0.10143 193 H 25 s Ryd( 2s) 0.00084 0.67242 194 H 26 s Val( 1s) 0.76227 0.09177 195 H 26 s Ryd( 2s) 0.00124 0.66874 196 H 27 s Val( 1s) 0.76181 0.09222 197 H 27 s Ryd( 2s) 0.00126 0.66869 Summary of Natural Population Analysis: Natural Population Natural --------------------------------------------- Atom No Charge Core Valence Rydberg Total -------------------------------------------------------------------- C 1 -0.69230 1.99999 4.68430 0.00800 6.69230 C 2 -0.00777 2.00000 3.99533 0.01244 6.00777 C 3 -0.70014 1.99999 4.69235 0.00780 6.70014 H 4 0.23431 0.00000 0.76502 0.00067 0.76569 H 5 0.24061 0.00000 0.75819 0.00120 0.75939 H 6 0.23992 0.00000 0.75892 0.00116 0.76008 C 7 -0.23223 2.00000 4.21847 0.01376 6.23223 C 8 -0.47195 1.99999 4.45996 0.01200 6.47195 C 9 -0.47529 1.99999 4.46324 0.01206 6.47529 C 10 0.10649 2.00000 3.87943 0.01408 5.89351 C 11 -0.72369 1.99999 4.71483 0.00886 6.72369 H 12 0.27725 0.00000 0.72067 0.00207 0.72275 H 13 0.25173 0.00000 0.74747 0.00079 0.74827 H 14 0.23867 0.00000 0.76027 0.00106 0.76133 C 15 -0.37273 2.00000 4.36046 0.01227 6.37273 C 16 0.36485 2.00000 3.60174 0.03341 5.63515 O 17 -0.54778 2.00000 6.53080 0.01698 8.54778 H 18 0.14406 0.00000 0.85228 0.00366 0.85594 H 19 0.22945 0.00000 0.76912 0.00142 0.77055 H 20 0.24908 0.00000 0.74908 0.00184 0.75092 H 21 0.23968 0.00000 0.75881 0.00151 0.76032 H 22 0.24532 0.00000 0.75297 0.00171 0.75468 H 23 0.23303 0.00000 0.76579 0.00118 0.76697 H 24 0.21913 0.00000 0.77942 0.00145 0.78087 H 25 0.23684 0.00000 0.76233 0.00084 0.76316 H 26 0.23650 0.00000 0.76227 0.00124 0.76350 H 27 0.23694 0.00000 0.76181 0.00126 0.76306 ==================================================================== * Total * 0.00000 21.99995 61.82532 0.17472 84.00000 Natural Population --------------------------------------------------------- Core 21.99995 ( 99.9998% of 22) Valence 61.82532 ( 99.7183% of 62) Natural Minimal Basis 83.82528 ( 99.7920% of 84) Natural Rydberg Basis 0.17472 ( 0.2080% of 84) --------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2s( 1.10)2p( 3.58) C 2 [core]2s( 0.90)2p( 3.10)3p( 0.01) C 3 [core]2s( 1.10)2p( 3.59) H 4 1s( 0.77) H 5 1s( 0.76) H 6 1s( 0.76) C 7 [core]2s( 0.96)2p( 3.26)3p( 0.01) C 8 [core]2s( 1.04)2p( 3.42)3p( 0.01) C 9 [core]2s( 1.04)2p( 3.42)3p( 0.01) C 10 [core]2s( 0.91)2p( 2.97)3p( 0.01) C 11 [core]2s( 1.11)2p( 3.61) H 12 1s( 0.72) H 13 1s( 0.75) H 14 1s( 0.76) C 15 [core]2s( 1.00)2p( 3.37)3p( 0.01) C 16 [core]2s( 0.94)2p( 2.66)3s( 0.01)3p( 0.02)3d( 0.01) O 17 [core]2s( 1.71)2p( 4.82)3d( 0.01) H 18 1s( 0.85) H 19 1s( 0.77) H 20 1s( 0.75) H 21 1s( 0.76) H 22 1s( 0.75) H 23 1s( 0.77) H 24 1s( 0.78) H 25 1s( 0.76) H 26 1s( 0.76) H 27 1s( 0.76) 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 82.32853 1.67147 11 28 0 3 2 2 2 2 1.88 82.38612 1.61388 11 28 0 3 1 2 3 2 1.84 83.14265 0.85735 11 29 0 2 0 1 ---------------------------------------------------------------------------- Structure accepted: No low occupancy Lewis orbitals ------------------------------------------------------- Core 21.99995 (100.000% of 22) Valence Lewis 61.14270 ( 98.617% of 62) ================== ============================= Total Lewis 83.14265 ( 98.979% of 84) ----------------------------------------------------- Valence non-Lewis 0.74452 ( 0.886% of 84) Rydberg non-Lewis 0.11283 ( 0.134% of 84) ================== ============================= Total non-Lewis 0.85735 ( 1.021% of 84) ------------------------------------------------------- (Occupancy) Bond orbital / Coefficients / Hybrids ------------------ Lewis ------------------------------------------------------ 1. (1.99999) 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. (1.99999) 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 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 5. (1.99999) CR ( 1) C 8 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. (1.99999) CR ( 1) C 9 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 10 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. (1.99999) CR ( 1) C 11 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 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 10. (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 11. (2.00000) CR ( 1) O 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 12. (1.98132) LP ( 1) O 17 s( 59.17%)p 0.69( 40.78%)d 0.00( 0.05%) 0.0000 0.7692 0.0108 0.0004 0.3085 0.0003 0.5525 -0.0004 -0.0862 0.0000 -0.0151 0.0029 0.0046 0.0086 0.0118 13. (1.88373) LP ( 2) O 17 s( 0.05%)p99.99( 99.79%)d 3.52( 0.17%) 0.0000 0.0199 0.0086 -0.0002 -0.8714 -0.0117 0.4758 0.0060 0.1095 0.0022 0.0207 -0.0074 -0.0008 0.0343 0.0005 14. (1.98105) BD ( 1) C 1- C 2 ( 49.81%) 0.7058* C 1 s( 29.29%)p 2.41( 70.65%)d 0.00( 0.06%) 0.0000 0.5412 -0.0073 -0.0032 0.7133 0.0039 0.4241 0.0008 -0.1337 -0.0008 0.0181 -0.0054 -0.0034 0.0093 -0.0108 ( 50.19%) 0.7084* C 2 s( 30.41%)p 2.29( 69.54%)d 0.00( 0.05%) 0.0000 0.5515 0.0041 0.0012 -0.7025 0.0044 -0.4293 0.0007 0.1324 -0.0006 0.0148 -0.0060 -0.0027 0.0075 -0.0133 15. (1.99059) BD ( 1) C 1- H 25 ( 61.87%) 0.7866* C 1 s( 24.24%)p 3.12( 75.68%)d 0.00( 0.08%) 0.0000 0.4924 0.0001 0.0009 0.1324 -0.0152 -0.8592 0.0033 -0.0279 0.0028 -0.0082 -0.0005 0.0017 -0.0230 -0.0147 ( 38.13%) 0.6175* H 25 s(100.00%) 1.0000 0.0007 16. (1.98184) BD ( 1) C 1- H 26 ( 61.86%) 0.7865* C 1 s( 23.22%)p 3.30( 76.70%)d 0.00( 0.08%) 0.0000 0.4818 0.0029 0.0010 -0.3363 -0.0076 0.1986 -0.0133 0.7838 0.0003 -0.0044 -0.0166 0.0122 0.0021 0.0200 ( 38.14%) 0.6175* H 26 s(100.00%) 1.0000 0.0020 17. (1.98186) BD ( 1) C 1- H 27 ( 61.89%) 0.7867* C 1 s( 23.23%)p 3.30( 76.69%)d 0.00( 0.08%) 0.0000 0.4820 0.0029 0.0010 -0.5995 -0.0071 0.2032 -0.0134 -0.6049 0.0024 -0.0087 0.0231 -0.0099 0.0098 0.0063 ( 38.11%) 0.6173* H 27 s(100.00%) 1.0000 0.0021 18. (1.98263) BD ( 1) C 2- C 3 ( 50.02%) 0.7072* C 2 s( 30.80%)p 2.25( 69.15%)d 0.00( 0.05%) 0.0000 0.5549 0.0050 0.0009 -0.0680 0.0001 0.8287 -0.0007 0.0148 -0.0001 -0.0039 -0.0014 0.0008 -0.0171 -0.0137 ( 49.98%) 0.7070* C 3 s( 29.14%)p 2.43( 70.80%)d 0.00( 0.06%) 0.0000 0.5398 -0.0077 -0.0030 0.1052 0.0018 -0.8345 -0.0033 -0.0224 -0.0002 -0.0047 0.0001 0.0010 -0.0204 -0.0114 19. (1.98257) BD ( 1) C 2- C 7 ( 50.55%) 0.7110* C 2 s( 38.72%)p 1.58( 61.23%)d 0.00( 0.05%) 0.0000 0.6222 -0.0087 -0.0020 0.6860 0.0121 -0.3583 -0.0116 -0.1138 -0.0039 -0.0157 -0.0059 0.0028 0.0104 -0.0123 ( 49.45%) 0.7032* C 7 s( 39.83%)p 1.51( 60.10%)d 0.00( 0.07%) 0.0000 0.6309 -0.0160 -0.0025 -0.6502 -0.0223 0.3956 0.0025 0.1459 0.0051 -0.0183 -0.0073 0.0040 0.0090 -0.0136 20. (1.94186) BD ( 2) C 2- C 7 ( 48.47%) 0.6962* C 2 s( 0.01%)p99.99( 99.91%)d 6.62( 0.07%) 0.0000 0.0106 -0.0012 -0.0001 -0.1748 0.0045 -0.0039 -0.0005 -0.9840 0.0190 0.0023 -0.0223 0.0132 -0.0040 0.0074 ( 51.53%) 0.7178* C 7 s( 0.02%)p99.99( 99.91%)d 2.83( 0.07%) 0.0000 0.0144 -0.0054 0.0006 -0.2009 0.0075 0.0078 0.0003 -0.9789 0.0200 -0.0031 0.0203 -0.0132 0.0038 -0.0076 21. (1.98965) BD ( 1) C 3- H 4 ( 61.75%) 0.7858* C 3 s( 24.54%)p 3.07( 75.38%)d 0.00( 0.08%) 0.0000 0.4954 -0.0007 0.0009 0.7491 -0.0114 0.4181 0.0111 -0.1327 0.0021 0.0201 -0.0066 -0.0035 0.0126 -0.0138 ( 38.25%) 0.6184* H 4 s(100.00%) 1.0000 0.0004 22. (1.98073) BD ( 1) C 3- H 5 ( 62.04%) 0.7877* C 3 s( 23.16%)p 3.32( 76.76%)d 0.00( 0.08%) 0.0000 0.4812 0.0034 0.0009 -0.5695 0.0060 0.2556 0.0137 -0.6146 0.0000 -0.0088 0.0237 -0.0086 0.0090 0.0064 ( 37.96%) 0.6161* H 5 s(100.00%) 1.0000 0.0020 23. (1.98080) BD ( 1) C 3- H 6 ( 62.00%) 0.7874* C 3 s( 23.14%)p 3.32( 76.77%)d 0.00( 0.08%) 0.0000 0.4811 0.0035 0.0009 -0.3196 0.0055 0.2497 0.0137 0.7765 -0.0020 -0.0051 -0.0173 0.0108 0.0015 0.0198 ( 38.00%) 0.6165* H 6 s(100.00%) 1.0000 0.0018 24. (1.97971) BD ( 1) C 7- C 8 ( 49.14%) 0.7010* C 7 s( 33.13%)p 2.02( 66.81%)d 0.00( 0.05%) 0.0000 0.5756 -0.0025 -0.0001 0.7317 0.0079 0.3363 -0.0100 -0.1391 -0.0112 0.0137 -0.0059 -0.0024 0.0113 -0.0137 ( 50.86%) 0.7132* C 8 s( 28.11%)p 2.56( 71.84%)d 0.00( 0.05%) 0.0000 0.5300 -0.0128 -0.0009 -0.7729 -0.0049 -0.3155 -0.0064 0.1459 -0.0117 0.0141 -0.0072 -0.0033 0.0134 -0.0101 25. (1.97691) BD ( 1) C 7- H 24 ( 61.07%) 0.7815* C 7 s( 26.99%)p 2.70( 72.93%)d 0.00( 0.09%) 0.0000 0.5192 0.0163 0.0025 -0.0152 0.0012 -0.8538 0.0064 0.0038 -0.0031 0.0015 -0.0010 -0.0009 -0.0240 -0.0170 ( 38.93%) 0.6240* H 24 s(100.00%) 1.0000 0.0028 26. (1.96343) BD ( 1) C 8- C 9 ( 49.52%) 0.7037* C 8 s( 26.01%)p 2.84( 73.95%)d 0.00( 0.05%) 0.0000 0.5099 -0.0073 -0.0014 0.5491 0.0005 -0.1970 0.0016 0.6317 0.0072 -0.0056 0.0172 -0.0074 0.0062 0.0072 ( 50.48%) 0.7105* C 9 s( 26.47%)p 2.78( 73.49%)d 0.00( 0.04%) 0.0000 0.5144 -0.0075 -0.0018 -0.5399 -0.0051 0.2070 -0.0049 -0.6329 -0.0053 -0.0059 0.0157 -0.0079 0.0053 0.0079 27. (1.97418) BD ( 1) C 8- H 22 ( 62.36%) 0.7897* C 8 s( 22.45%)p 3.45( 77.46%)d 0.00( 0.09%) 0.0000 0.4737 0.0097 0.0010 0.3138 -0.0095 -0.3236 0.0168 -0.7557 -0.0042 -0.0067 -0.0151 0.0171 -0.0004 0.0169 ( 37.64%) 0.6135* H 22 s(100.00%) 1.0000 0.0031 28. (1.98122) BD ( 1) C 8- H 23 ( 61.80%) 0.7861* C 8 s( 23.45%)p 3.26( 76.47%)d 0.00( 0.08%) 0.0000 0.4842 0.0067 0.0010 -0.0389 0.0035 0.8692 -0.0074 -0.0853 -0.0157 -0.0019 0.0002 -0.0045 -0.0244 -0.0147 ( 38.20%) 0.6181* H 23 s(100.00%) 1.0000 0.0018 29. (1.97734) BD ( 1) C 9- C 10 ( 49.69%) 0.7049* C 9 s( 27.96%)p 2.57( 71.97%)d 0.00( 0.06%) 0.0000 0.5287 -0.0096 -0.0019 0.7899 0.0064 0.2664 -0.0019 -0.1571 0.0108 0.0131 -0.0076 -0.0028 0.0163 -0.0106 ( 50.31%) 0.7093* C 10 s( 31.05%)p 2.22( 68.90%)d 0.00( 0.05%) 0.0000 0.5571 0.0077 0.0016 -0.7755 0.0144 -0.2574 0.0003 0.1456 0.0067 0.0109 -0.0062 -0.0020 0.0130 -0.0130 30. (1.97035) BD ( 1) C 9- H 20 ( 62.47%) 0.7904* C 9 s( 22.32%)p 3.48( 77.59%)d 0.00( 0.09%) 0.0000 0.4724 0.0076 0.0016 -0.2891 0.0010 0.3622 -0.0200 0.7488 0.0058 -0.0067 -0.0124 0.0197 -0.0020 0.0165 ( 37.53%) 0.6126* H 20 s(100.00%) 1.0000 0.0033 31. (1.98283) BD ( 1) C 9- H 21 ( 62.12%) 0.7882* C 9 s( 23.25%)p 3.30( 76.67%)d 0.00( 0.08%) 0.0000 0.4821 0.0059 0.0016 -0.0071 -0.0061 -0.8680 0.0107 0.1134 0.0151 -0.0005 0.0003 -0.0060 -0.0243 -0.0145 ( 37.88%) 0.6155* H 21 s(100.00%) 1.0000 0.0025 32. (1.98245) BD ( 1) C 10- C 11 ( 50.90%) 0.7134* C 10 s( 31.34%)p 2.19( 68.62%)d 0.00( 0.05%) 0.0000 0.5598 0.0043 0.0011 0.1252 0.0043 0.8183 -0.0019 -0.0294 0.0017 0.0043 -0.0011 -0.0013 -0.0167 -0.0129 ( 49.10%) 0.7007* C 11 s( 28.07%)p 2.56( 71.86%)d 0.00( 0.07%) 0.0000 0.5297 -0.0092 0.0025 -0.1110 0.0025 -0.8399 -0.0076 0.0286 0.0033 0.0070 0.0000 -0.0011 -0.0214 -0.0121 33. (1.98238) BD ( 1) C 10- C 15 ( 50.46%) 0.7104* C 10 s( 37.54%)p 1.66( 62.40%)d 0.00( 0.06%) 0.0000 0.6126 -0.0125 -0.0026 0.5879 0.0108 -0.5134 -0.0123 -0.1207 -0.0030 -0.0194 -0.0049 0.0040 0.0019 -0.0120 ( 49.54%) 0.7038* C 15 s( 39.39%)p 1.54( 60.55%)d 0.00( 0.07%) 0.0000 0.6274 -0.0134 -0.0027 -0.5536 -0.0179 0.5388 0.0057 0.0909 0.0051 -0.0207 -0.0045 0.0036 -0.0001 -0.0143 34. (1.84563) BD ( 2) C 10- C 15 ( 43.14%) 0.6568* C 10 s( 0.01%)p99.99( 99.91%)d 7.88( 0.08%) 0.0000 0.0096 -0.0036 -0.0002 0.1910 -0.0064 -0.0005 -0.0006 0.9810 -0.0140 -0.0039 0.0197 -0.0192 0.0036 -0.0064 ( 56.86%) 0.7541* C 15 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0039 -0.0009 0.0000 0.1780 -0.0038 0.0124 0.0001 0.9836 -0.0175 0.0031 -0.0081 0.0164 -0.0016 0.0029 35. (1.98742) BD ( 1) C 11- H 12 ( 64.17%) 0.8010* C 11 s( 25.77%)p 2.88( 74.16%)d 0.00( 0.07%) 0.0000 0.5076 0.0010 -0.0006 0.8328 -0.0121 0.2116 0.0107 0.0547 -0.0006 0.0094 0.0024 -0.0003 0.0213 -0.0142 ( 35.83%) 0.5986* H 12 s(100.00%) 1.0000 0.0043 36. (1.96804) BD ( 1) C 11- H 13 ( 62.27%) 0.7891* C 11 s( 22.76%)p 3.39( 77.15%)d 0.00( 0.08%) 0.0000 0.4771 0.0040 -0.0007 -0.3218 0.0102 0.3173 0.0152 -0.7529 -0.0004 -0.0062 0.0183 -0.0122 0.0010 0.0179 ( 37.73%) 0.6142* H 13 s(100.00%) 1.0000 0.0009 37. (1.98021) BD ( 1) C 11- H 14 ( 61.86%) 0.7865* C 11 s( 23.38%)p 3.27( 76.54%)d 0.00( 0.09%) 0.0000 0.4835 0.0026 -0.0007 -0.4350 0.0120 0.3842 0.0149 0.6543 -0.0003 -0.0113 -0.0214 0.0133 0.0026 0.0097 ( 38.14%) 0.6175* H 14 s(100.00%) 1.0000 0.0014 38. (1.98785) BD ( 1) C 15- C 16 ( 52.10%) 0.7218* C 15 s( 32.52%)p 2.07( 67.42%)d 0.00( 0.06%) 0.0000 0.5702 -0.0046 -0.0001 0.7889 0.0164 0.1720 -0.0201 -0.1471 -0.0031 0.0089 -0.0076 -0.0014 0.0176 -0.0130 ( 47.90%) 0.6921* C 16 s( 37.70%)p 1.65( 62.23%)d 0.00( 0.07%) 0.0000 0.6140 0.0035 -0.0023 -0.7732 -0.0036 -0.0784 -0.0172 0.1342 0.0010 0.0064 -0.0073 -0.0009 0.0216 -0.0100 39. (1.97841) BD ( 1) C 15- H 19 ( 61.57%) 0.7847* C 15 s( 28.06%)p 2.56( 71.86%)d 0.00( 0.08%) 0.0000 0.5295 0.0129 0.0037 -0.1949 0.0086 -0.8238 0.0077 0.0436 -0.0020 0.0095 -0.0018 -0.0026 -0.0205 -0.0166 ( 38.43%) 0.6199* H 19 s(100.00%) 1.0000 0.0029 40. (1.99733) BD ( 1) C 16- O 17 ( 34.13%) 0.5842* C 16 s( 31.53%)p 2.17( 68.29%)d 0.01( 0.18%) 0.0000 0.5581 -0.0609 0.0053 0.3523 0.0486 0.7387 0.0650 -0.0798 -0.0130 0.0299 -0.0019 -0.0071 -0.0242 -0.0159 ( 65.87%) 0.8116* O 17 s( 40.77%)p 1.44( 58.89%)d 0.01( 0.33%) 0.0000 0.6382 -0.0202 -0.0007 -0.3404 0.0033 -0.6773 0.0128 0.1191 -0.0015 0.0413 -0.0057 -0.0123 -0.0287 -0.0246 41. (1.97887) BD ( 2) C 16- O 17 ( 33.47%) 0.5785* C 16 s( 0.02%)p99.99( 99.77%)d13.86( 0.21%) 0.0000 0.0122 -0.0024 0.0004 -0.1572 0.0059 -0.0411 0.0048 -0.9850 0.0316 -0.0071 -0.0172 -0.0414 -0.0010 0.0091 ( 66.53%) 0.8157* O 17 s( 0.02%)p99.99( 99.72%)d17.36( 0.26%) 0.0000 0.0123 -0.0008 0.0003 -0.1655 0.0024 -0.0778 0.0003 -0.9816 0.0116 0.0097 0.0223 0.0437 0.0005 -0.0120 42. (1.98950) BD ( 1) C 16- H 18 ( 58.95%) 0.7678* C 16 s( 30.88%)p 2.24( 69.02%)d 0.00( 0.10%) 0.0000 0.5548 0.0313 -0.0001 0.4988 0.0030 -0.6621 0.0319 -0.0451 -0.0018 -0.0255 -0.0005 0.0023 -0.0132 -0.0141 ( 41.05%) 0.6407* H 18 s(100.00%) 0.9999 0.0127 ---------------- non-Lewis ---------------------------------------------------- 43. (0.01573) BD*( 1) C 1- C 2 ( 50.19%) 0.7084* C 1 s( 29.29%)p 2.41( 70.65%)d 0.00( 0.06%) 0.0000 -0.5412 0.0073 0.0032 -0.7133 -0.0039 -0.4241 -0.0008 0.1337 0.0008 -0.0181 0.0054 0.0034 -0.0093 0.0108 ( 49.81%) -0.7058* C 2 s( 30.41%)p 2.29( 69.54%)d 0.00( 0.05%) 0.0000 -0.5515 -0.0041 -0.0012 0.7025 -0.0044 0.4293 -0.0007 -0.1324 0.0006 -0.0148 0.0060 0.0027 -0.0075 0.0133 44. (0.00525) BD*( 1) C 1- H 25 ( 38.13%) 0.6175* C 1 s( 24.24%)p 3.12( 75.68%)d 0.00( 0.08%) 0.0000 -0.4924 -0.0001 -0.0009 -0.1324 0.0152 0.8592 -0.0033 0.0279 -0.0028 0.0082 0.0005 -0.0017 0.0230 0.0147 ( 61.87%) -0.7866* H 25 s(100.00%) -1.0000 -0.0007 45. (0.01048) BD*( 1) C 1- H 26 ( 38.14%) 0.6175* C 1 s( 23.22%)p 3.30( 76.70%)d 0.00( 0.08%) 0.0000 -0.4818 -0.0029 -0.0010 0.3363 0.0076 -0.1986 0.0133 -0.7838 -0.0003 0.0044 0.0166 -0.0122 -0.0021 -0.0200 ( 61.86%) -0.7865* H 26 s(100.00%) -1.0000 -0.0020 46. (0.01050) BD*( 1) C 1- H 27 ( 38.11%) 0.6173* C 1 s( 23.23%)p 3.30( 76.69%)d 0.00( 0.08%) 0.0000 -0.4820 -0.0029 -0.0010 0.5995 0.0071 -0.2032 0.0134 0.6049 -0.0024 0.0087 -0.0231 0.0099 -0.0098 -0.0063 ( 61.89%) -0.7867* H 27 s(100.00%) -1.0000 -0.0021 47. (0.02020) BD*( 1) C 2- C 3 ( 49.98%) 0.7070* C 2 s( 30.80%)p 2.25( 69.15%)d 0.00( 0.05%) 0.0000 0.5549 0.0050 0.0009 -0.0680 0.0001 0.8287 -0.0007 0.0148 -0.0001 -0.0039 -0.0014 0.0008 -0.0171 -0.0137 ( 50.02%) -0.7072* C 3 s( 29.14%)p 2.43( 70.80%)d 0.00( 0.06%) 0.0000 0.5398 -0.0077 -0.0030 0.1052 0.0018 -0.8345 -0.0033 -0.0224 -0.0002 -0.0047 0.0001 0.0010 -0.0204 -0.0114 48. (0.01836) BD*( 1) C 2- C 7 ( 49.45%) 0.7032* C 2 s( 38.72%)p 1.58( 61.23%)d 0.00( 0.05%) 0.0000 -0.6222 0.0087 0.0020 -0.6860 -0.0121 0.3583 0.0116 0.1138 0.0039 0.0157 0.0059 -0.0028 -0.0104 0.0123 ( 50.55%) -0.7110* C 7 s( 39.83%)p 1.51( 60.10%)d 0.00( 0.07%) 0.0000 -0.6309 0.0160 0.0025 0.6502 0.0223 -0.3956 -0.0025 -0.1459 -0.0051 0.0183 0.0073 -0.0040 -0.0090 0.0136 49. (0.07991) BD*( 2) C 2- C 7 ( 51.53%) 0.7178* C 2 s( 0.01%)p99.99( 99.91%)d 6.62( 0.07%) 0.0000 -0.0106 0.0012 0.0001 0.1748 -0.0045 0.0039 0.0005 0.9840 -0.0190 -0.0023 0.0223 -0.0132 0.0040 -0.0074 ( 48.47%) -0.6962* C 7 s( 0.02%)p99.99( 99.91%)d 2.83( 0.07%) 0.0000 -0.0144 0.0054 -0.0006 0.2009 -0.0075 -0.0078 -0.0003 0.9789 -0.0200 0.0031 -0.0203 0.0132 -0.0038 0.0076 50. (0.00660) BD*( 1) C 3- H 4 ( 38.25%) 0.6184* C 3 s( 24.54%)p 3.07( 75.38%)d 0.00( 0.08%) 0.0000 -0.4954 0.0007 -0.0009 -0.7491 0.0114 -0.4181 -0.0111 0.1327 -0.0021 -0.0201 0.0066 0.0035 -0.0126 0.0138 ( 61.75%) -0.7858* H 4 s(100.00%) -1.0000 -0.0004 51. (0.01018) BD*( 1) C 3- H 5 ( 37.96%) 0.6161* C 3 s( 23.16%)p 3.32( 76.76%)d 0.00( 0.08%) 0.0000 -0.4812 -0.0034 -0.0009 0.5695 -0.0060 -0.2556 -0.0137 0.6146 0.0000 0.0088 -0.0237 0.0086 -0.0090 -0.0064 ( 62.04%) -0.7877* H 5 s(100.00%) -1.0000 -0.0020 52. (0.00992) BD*( 1) C 3- H 6 ( 38.00%) 0.6165* C 3 s( 23.14%)p 3.32( 76.77%)d 0.00( 0.08%) 0.0000 -0.4811 -0.0035 -0.0009 0.3196 -0.0055 -0.2497 -0.0137 -0.7765 0.0020 0.0051 0.0173 -0.0108 -0.0015 -0.0198 ( 62.00%) -0.7874* H 6 s(100.00%) -1.0000 -0.0018 53. (0.01517) BD*( 1) C 7- C 8 ( 50.86%) 0.7132* C 7 s( 33.13%)p 2.02( 66.81%)d 0.00( 0.05%) 0.0000 0.5756 -0.0025 -0.0001 0.7317 0.0079 0.3363 -0.0100 -0.1391 -0.0112 0.0137 -0.0059 -0.0024 0.0113 -0.0137 ( 49.14%) -0.7010* C 8 s( 28.11%)p 2.56( 71.84%)d 0.00( 0.05%) 0.0000 0.5300 -0.0128 -0.0009 -0.7729 -0.0049 -0.3155 -0.0064 0.1459 -0.0117 0.0141 -0.0072 -0.0033 0.0134 -0.0101 54. (0.01599) BD*( 1) C 7- H 24 ( 38.93%) 0.6240* C 7 s( 26.99%)p 2.70( 72.93%)d 0.00( 0.09%) 0.0000 -0.5192 -0.0163 -0.0025 0.0152 -0.0012 0.8538 -0.0064 -0.0038 0.0031 -0.0015 0.0010 0.0009 0.0240 0.0170 ( 61.07%) -0.7815* H 24 s(100.00%) -1.0000 -0.0028 55. (0.02114) BD*( 1) C 8- C 9 ( 50.48%) 0.7105* C 8 s( 26.01%)p 2.84( 73.95%)d 0.00( 0.05%) 0.0000 0.5099 -0.0073 -0.0014 0.5491 0.0005 -0.1970 0.0016 0.6317 0.0072 -0.0056 0.0172 -0.0074 0.0062 0.0072 ( 49.52%) -0.7037* C 9 s( 26.47%)p 2.78( 73.49%)d 0.00( 0.04%) 0.0000 0.5144 -0.0075 -0.0018 -0.5399 -0.0051 0.2070 -0.0049 -0.6329 -0.0053 -0.0059 0.0157 -0.0079 0.0053 0.0079 56. (0.01580) BD*( 1) C 8- H 22 ( 37.64%) 0.6135* C 8 s( 22.45%)p 3.45( 77.46%)d 0.00( 0.09%) 0.0000 -0.4737 -0.0097 -0.0010 -0.3138 0.0095 0.3236 -0.0168 0.7557 0.0042 0.0067 0.0151 -0.0171 0.0004 -0.0169 ( 62.36%) -0.7897* H 22 s(100.00%) -1.0000 -0.0031 57. (0.01439) BD*( 1) C 8- H 23 ( 38.20%) 0.6181* C 8 s( 23.45%)p 3.26( 76.47%)d 0.00( 0.08%) 0.0000 -0.4842 -0.0067 -0.0010 0.0389 -0.0035 -0.8692 0.0074 0.0853 0.0157 0.0019 -0.0002 0.0045 0.0244 0.0147 ( 61.80%) -0.7861* H 23 s(100.00%) -1.0000 -0.0018 58. (0.02082) BD*( 1) C 9- C 10 ( 50.31%) 0.7093* C 9 s( 27.96%)p 2.57( 71.97%)d 0.00( 0.06%) 0.0000 -0.5287 0.0096 0.0019 -0.7899 -0.0064 -0.2664 0.0019 0.1571 -0.0108 -0.0131 0.0076 0.0028 -0.0163 0.0106 ( 49.69%) -0.7049* C 10 s( 31.05%)p 2.22( 68.90%)d 0.00( 0.05%) 0.0000 -0.5571 -0.0077 -0.0016 0.7755 -0.0144 0.2574 -0.0003 -0.1456 -0.0067 -0.0109 0.0062 0.0020 -0.0130 0.0130 59. (0.01527) BD*( 1) C 9- H 20 ( 37.53%) 0.6126* C 9 s( 22.32%)p 3.48( 77.59%)d 0.00( 0.09%) 0.0000 -0.4724 -0.0076 -0.0016 0.2891 -0.0010 -0.3622 0.0200 -0.7488 -0.0058 0.0067 0.0124 -0.0197 0.0020 -0.0165 ( 62.47%) -0.7904* H 20 s(100.00%) -1.0000 -0.0033 60. (0.01243) BD*( 1) C 9- H 21 ( 37.88%) 0.6155* C 9 s( 23.25%)p 3.30( 76.67%)d 0.00( 0.08%) 0.0000 -0.4821 -0.0059 -0.0016 0.0071 0.0061 0.8680 -0.0107 -0.1134 -0.0151 0.0005 -0.0003 0.0060 0.0243 0.0145 ( 62.12%) -0.7882* H 21 s(100.00%) -1.0000 -0.0025 61. (0.01896) BD*( 1) C 10- C 11 ( 49.10%) 0.7007* C 10 s( 31.34%)p 2.19( 68.62%)d 0.00( 0.05%) 0.0000 0.5598 0.0043 0.0011 0.1252 0.0043 0.8183 -0.0019 -0.0294 0.0017 0.0043 -0.0011 -0.0013 -0.0167 -0.0129 ( 50.90%) -0.7134* C 11 s( 28.07%)p 2.56( 71.86%)d 0.00( 0.07%) 0.0000 0.5297 -0.0092 0.0025 -0.1110 0.0025 -0.8399 -0.0076 0.0286 0.0033 0.0070 0.0000 -0.0011 -0.0214 -0.0121 62. (0.01899) BD*( 1) C 10- C 15 ( 49.54%) 0.7038* C 10 s( 37.54%)p 1.66( 62.40%)d 0.00( 0.06%) 0.0000 -0.6126 0.0125 0.0026 -0.5879 -0.0108 0.5134 0.0123 0.1207 0.0030 0.0194 0.0049 -0.0040 -0.0019 0.0120 ( 50.46%) -0.7104* C 15 s( 39.39%)p 1.54( 60.55%)d 0.00( 0.07%) 0.0000 -0.6274 0.0134 0.0027 0.5536 0.0179 -0.5388 -0.0057 -0.0909 -0.0051 0.0207 0.0045 -0.0036 0.0001 0.0143 63. (0.09201) BD*( 2) C 10- C 15 ( 56.86%) 0.7541* C 10 s( 0.01%)p99.99( 99.91%)d 7.88( 0.08%) 0.0000 0.0096 -0.0036 -0.0002 0.1910 -0.0064 -0.0005 -0.0006 0.9810 -0.0140 -0.0039 0.0197 -0.0192 0.0036 -0.0064 ( 43.14%) -0.6568* C 15 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0039 -0.0009 0.0000 0.1780 -0.0038 0.0124 0.0001 0.9836 -0.0175 0.0031 -0.0081 0.0164 -0.0016 0.0029 64. (0.01323) BD*( 1) C 11- H 12 ( 35.83%) 0.5986* C 11 s( 25.77%)p 2.88( 74.16%)d 0.00( 0.07%) 0.0000 -0.5076 -0.0010 0.0006 -0.8328 0.0121 -0.2116 -0.0107 -0.0547 0.0006 -0.0094 -0.0024 0.0003 -0.0213 0.0142 ( 64.17%) -0.8010* H 12 s(100.00%) -1.0000 -0.0043 65. (0.00795) BD*( 1) C 11- H 13 ( 37.73%) 0.6142* C 11 s( 22.76%)p 3.39( 77.15%)d 0.00( 0.08%) 0.0000 -0.4771 -0.0040 0.0007 0.3218 -0.0102 -0.3173 -0.0152 0.7529 0.0004 0.0062 -0.0183 0.0122 -0.0010 -0.0179 ( 62.27%) -0.7891* H 13 s(100.00%) -1.0000 -0.0009 66. (0.00826) BD*( 1) C 11- H 14 ( 38.14%) 0.6175* C 11 s( 23.38%)p 3.27( 76.54%)d 0.00( 0.09%) 0.0000 -0.4835 -0.0026 0.0007 0.4350 -0.0120 -0.3842 -0.0149 -0.6543 0.0003 0.0113 0.0214 -0.0133 -0.0026 -0.0097 ( 61.86%) -0.7865* H 14 s(100.00%) -1.0000 -0.0014 67. (0.05170) BD*( 1) C 15- C 16 ( 47.90%) 0.6921* C 15 s( 32.52%)p 2.07( 67.42%)d 0.00( 0.06%) 0.0000 -0.5702 0.0046 0.0001 -0.7889 -0.0164 -0.1720 0.0201 0.1471 0.0031 -0.0089 0.0076 0.0014 -0.0176 0.0130 ( 52.10%) -0.7218* C 16 s( 37.70%)p 1.65( 62.23%)d 0.00( 0.07%) 0.0000 -0.6140 -0.0035 0.0023 0.7732 0.0036 0.0784 0.0172 -0.1342 -0.0010 -0.0064 0.0073 0.0009 -0.0216 0.0100 68. (0.01442) BD*( 1) C 15- H 19 ( 38.43%) 0.6199* C 15 s( 28.06%)p 2.56( 71.86%)d 0.00( 0.08%) 0.0000 -0.5295 -0.0129 -0.0037 0.1949 -0.0086 0.8238 -0.0077 -0.0436 0.0020 -0.0095 0.0018 0.0026 0.0205 0.0166 ( 61.57%) -0.7847* H 19 s(100.00%) -1.0000 -0.0029 69. (0.00638) BD*( 1) C 16- O 17 ( 65.87%) 0.8116* C 16 s( 31.53%)p 2.17( 68.29%)d 0.01( 0.18%) 0.0000 0.5581 -0.0609 0.0053 0.3523 0.0486 0.7387 0.0650 -0.0798 -0.0130 0.0299 -0.0019 -0.0071 -0.0242 -0.0159 ( 34.13%) -0.5842* O 17 s( 40.77%)p 1.44( 58.89%)d 0.01( 0.33%) 0.0000 0.6382 -0.0202 -0.0007 -0.3404 0.0033 -0.6773 0.0128 0.1191 -0.0015 0.0413 -0.0057 -0.0123 -0.0287 -0.0246 70. (0.13418) BD*( 2) C 16- O 17 ( 66.53%) 0.8157* C 16 s( 0.02%)p99.99( 99.77%)d13.86( 0.21%) 0.0000 0.0122 -0.0024 0.0004 -0.1572 0.0059 -0.0411 0.0048 -0.9850 0.0316 -0.0071 -0.0172 -0.0414 -0.0010 0.0091 ( 33.47%) -0.5785* O 17 s( 0.02%)p99.99( 99.72%)d17.36( 0.26%) 0.0000 0.0123 -0.0008 0.0003 -0.1655 0.0024 -0.0778 0.0003 -0.9816 0.0116 0.0097 0.0223 0.0437 0.0005 -0.0120 71. (0.06029) BD*( 1) C 16- H 18 ( 41.05%) 0.6407* C 16 s( 30.88%)p 2.24( 69.02%)d 0.00( 0.10%) 0.0000 -0.5548 -0.0313 0.0001 -0.4988 -0.0030 0.6621 -0.0319 0.0451 0.0018 0.0255 0.0005 -0.0023 0.0132 0.0141 ( 58.95%) -0.7678* H 18 s(100.00%) -0.9999 -0.0127 72. (0.00262) RY ( 1) C 1 s( 0.35%)p99.99( 92.21%)d21.51( 7.45%) 0.0000 -0.0033 0.0587 -0.0031 0.0111 0.4414 -0.0180 -0.8485 -0.0021 -0.0829 -0.0867 -0.0362 0.0148 0.2525 0.0408 73. (0.00054) RY ( 2) C 1 s( 0.02%)p99.99( 26.03%)d99.99( 73.95%) 0.0000 -0.0003 0.0155 -0.0017 0.0047 0.0763 0.0000 -0.0090 0.0231 0.5038 0.0326 0.7859 0.1629 0.1550 -0.2650 74. (0.00026) RY ( 3) C 1 s( 40.88%)p 1.34( 54.98%)d 0.10( 4.15%) 0.0000 -0.0112 0.6269 -0.1253 0.0124 -0.6561 0.0034 -0.3272 -0.0031 0.1097 0.1842 0.0053 -0.0352 -0.0108 0.0785 75. (0.00004) RY ( 4) C 1 s( 53.84%)p 0.71( 38.45%)d 0.14( 7.71%) 76. (0.00002) RY ( 5) C 1 s( 0.36%)p99.99( 45.48%)d99.99( 54.16%) 77. (0.00001) RY ( 6) C 1 s( 5.39%)p 0.55( 2.98%)d17.02( 91.64%) 78. (0.00000) RY ( 7) C 1 s( 85.09%)p 0.04( 3.41%)d 0.14( 11.51%) 79. (0.00000) RY ( 8) C 1 s( 8.84%)p 0.40( 3.53%)d 9.91( 87.62%) 80. (0.00000) RY ( 9) C 1 s( 0.34%)p67.67( 22.75%)d99.99( 76.92%) 81. (0.00000) RY (10) C 1 s( 4.93%)p 2.13( 10.48%)d17.17( 84.59%) 82. (0.00408) RY ( 1) C 2 s( 0.01%)p99.99( 92.71%)d99.99( 7.27%) 0.0000 0.0014 0.0032 0.0115 0.0078 0.4790 0.0054 0.8352 0.0013 0.0099 0.1578 -0.0611 -0.0168 0.2089 0.0137 83. (0.00270) RY ( 2) C 2 s( 1.44%)p58.71( 84.70%)d 9.61( 13.86%) 0.0000 0.0056 0.1186 0.0182 0.0080 -0.2581 -0.0042 0.1414 0.0241 0.8716 -0.0639 -0.2941 0.1854 -0.0482 0.1064 84. (0.00251) RY ( 3) C 2 s( 6.25%)p13.80( 86.29%)d 1.19( 7.45%) 0.0000 0.0099 0.2486 0.0248 0.0031 -0.7622 -0.0060 0.4555 -0.0151 -0.2723 -0.1833 0.1509 -0.0616 0.1143 -0.0365 85. (0.00036) RY ( 4) C 2 s( 9.80%)p 0.13( 1.27%)d 9.08( 88.93%) 0.0000 0.0012 0.3087 0.0517 0.0192 -0.0535 -0.0150 0.0947 -0.0049 0.0166 0.5988 0.1033 -0.1296 -0.6848 -0.1852 86. (0.00020) RY ( 5) C 2 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0001 0.0060 -0.0013 -0.0001 0.0015 0.0001 -0.0023 -0.0004 -0.0015 -0.1605 -0.4459 -0.8635 -0.0829 0.1512 87. (0.00014) RY ( 6) C 2 s( 58.01%)p 0.07( 3.81%)d 0.66( 38.17%) 0.0000 0.0037 -0.5302 0.5468 -0.0083 -0.0032 -0.0102 0.1916 -0.0002 0.0356 -0.3471 0.2036 0.0108 -0.4636 0.0690 88. (0.00007) RY ( 7) C 2 s( 35.63%)p 0.19( 6.82%)d 1.62( 57.55%) 89. (0.00003) RY ( 8) C 2 s( 2.05%)p 8.06( 16.52%)d39.74( 81.43%) 90. (0.00000) RY ( 9) C 2 s( 48.04%)p 0.10( 4.86%)d 0.98( 47.11%) 91. (0.00000) RY (10) C 2 s( 38.82%)p 0.08( 3.17%)d 1.49( 58.01%) 92. (0.00237) RY ( 1) C 3 s( 0.40%)p99.99( 91.37%)d20.75( 8.23%) 0.0000 -0.0038 0.0625 -0.0070 0.0208 0.9188 0.0016 0.1955 -0.0037 -0.1757 -0.2783 0.0088 0.0524 0.0190 0.0413 93. (0.00052) RY ( 2) C 3 s( 0.06%)p99.99( 27.87%)d99.99( 72.07%) 0.0000 -0.0009 0.0240 -0.0033 0.0045 0.0862 -0.0008 0.0506 0.0222 0.5179 -0.1455 0.3381 -0.7549 0.0548 -0.1111 94. (0.00032) RY ( 3) C 3 s( 27.61%)p 2.53( 69.85%)d 0.09( 2.54%) 0.0000 -0.0129 0.5180 -0.0871 0.0041 -0.2000 -0.0134 0.8113 -0.0022 0.0082 0.0311 0.0237 0.0401 -0.1377 0.0577 95. (0.00005) RY ( 4) C 3 s( 65.80%)p 0.43( 28.45%)d 0.09( 5.75%) 96. (0.00003) RY ( 5) C 3 s( 0.39%)p99.99( 60.91%)d99.90( 38.71%) 97. (0.00001) RY ( 6) C 3 s( 20.91%)p 0.23( 4.86%)d 3.55( 74.23%) 98. (0.00000) RY ( 7) C 3 s( 20.07%)p 0.13( 2.68%)d 3.85( 77.24%) 99. (0.00000) RY ( 8) C 3 s( 4.42%)p 2.01( 8.87%)d19.61( 86.71%) 100. (0.00000) RY ( 9) C 3 s( 58.59%)p 0.07( 4.25%)d 0.63( 37.15%) 101. (0.00000) RY (10) C 3 s( 1.76%)p 0.67( 1.18%)d55.08( 97.06%) 102. (0.00067) RY ( 1) H 4 s(100.00%) -0.0004 1.0000 103. (0.00120) RY ( 1) H 5 s(100.00%) -0.0020 1.0000 104. (0.00116) RY ( 1) H 6 s(100.00%) -0.0018 1.0000 105. (0.00452) RY ( 1) C 7 s( 2.28%)p39.58( 90.13%)d 3.34( 7.59%) 0.0000 0.0019 0.1505 -0.0113 0.0041 0.1655 0.0194 0.9308 -0.0016 -0.0846 -0.0344 0.0386 -0.0039 -0.2697 -0.0223 106. (0.00279) RY ( 2) C 7 s( 2.94%)p30.18( 88.80%)d 2.81( 8.26%) 0.0000 -0.0077 0.1686 -0.0304 -0.0072 -0.4924 0.0009 -0.0111 -0.0260 -0.8029 0.0610 -0.2669 -0.0162 -0.0450 0.0732 107. (0.00147) RY ( 3) C 7 s( 0.80%)p99.99( 91.67%)d 9.37( 7.53%) 0.0000 0.0060 0.0894 0.0025 -0.0205 0.8192 0.0037 -0.1899 -0.0022 -0.4573 -0.2219 -0.1088 0.0651 0.0448 0.0892 108. (0.00033) RY ( 4) C 7 s( 83.27%)p 0.04( 3.05%)d 0.16( 13.67%) 0.0000 0.0014 0.8903 -0.2003 -0.0140 0.0485 0.0177 -0.1221 0.0051 0.1129 0.2710 0.1636 -0.0187 0.0822 -0.1715 109. (0.00011) RY ( 5) C 7 s( 21.01%)p 0.28( 5.81%)d 3.48( 73.18%) 0.0000 0.0017 -0.1588 0.4300 -0.0224 0.1930 0.0099 -0.0629 0.0069 -0.1275 0.7783 0.0908 -0.2299 -0.2411 -0.0823 110. (0.00007) RY ( 6) C 7 s( 6.67%)p 1.65( 11.02%)d12.33( 82.31%) 111. (0.00003) RY ( 7) C 7 s( 23.01%)p 0.27( 6.25%)d 3.07( 70.74%) 112. (0.00001) RY ( 8) C 7 s( 15.76%)p 0.06( 0.94%)d 5.28( 83.29%) 113. (0.00001) RY ( 9) C 7 s( 42.26%)p 0.05( 2.25%)d 1.31( 55.49%) 114. (0.00000) RY (10) C 7 s( 2.01%)p 0.16( 0.33%)d48.55( 97.66%) 115. (0.00457) RY ( 1) C 8 s( 0.02%)p99.99( 94.86%)d99.99( 5.12%) 0.0000 0.0001 0.0129 0.0064 -0.0150 -0.4611 0.0210 0.8010 0.0139 0.3057 -0.0380 -0.0600 0.0875 0.1164 0.1581 116. (0.00186) RY ( 2) C 8 s( 5.71%)p14.23( 81.21%)d 2.29( 13.08%) 0.0000 -0.0002 0.2345 -0.0452 -0.0020 -0.7192 -0.0033 -0.5008 0.0057 0.2098 -0.0880 -0.1638 -0.1089 -0.2371 0.1680 117. (0.00057) RY ( 3) C 8 s( 34.52%)p 0.72( 24.99%)d 1.17( 40.49%) 0.0000 0.0052 0.5872 -0.0196 -0.0070 0.4226 -0.0041 0.0967 0.0189 0.2482 0.1877 -0.5127 -0.0072 -0.2268 0.2352 118. (0.00035) RY ( 4) C 8 s( 2.14%)p16.76( 35.81%)d29.05( 62.05%) 0.0000 0.0092 0.1033 -0.1030 -0.0107 0.1087 0.0065 -0.1582 -0.0139 0.5665 0.3407 0.6282 0.2940 0.0369 0.1485 119. (0.00023) RY ( 5) C 8 s( 45.07%)p 0.32( 14.65%)d 0.89( 40.28%) 0.0000 -0.0020 0.6712 0.0126 -0.0098 -0.0555 -0.0173 0.1875 0.0008 -0.3284 -0.2222 0.5104 -0.2075 -0.1490 -0.1665 120. (0.00012) RY ( 6) C 8 s( 15.18%)p 0.92( 14.02%)d 4.67( 70.80%) 0.0000 -0.0058 -0.2048 0.3314 -0.0039 -0.0557 -0.0084 0.1144 0.0093 -0.3519 0.3035 0.1423 0.1483 -0.6162 0.4404 121. (0.00005) RY ( 7) C 8 s( 11.53%)p 2.33( 26.90%)d 5.34( 61.57%) 122. (0.00001) RY ( 8) C 8 s( 18.35%)p 0.24( 4.37%)d 4.21( 77.28%) 123. (0.00000) RY ( 9) C 8 s( 3.59%)p 0.17( 0.63%)d26.68( 95.78%) 124. (0.00000) RY (10) C 8 s( 63.88%)p 0.04( 2.86%)d 0.52( 33.26%) 125. (0.00490) RY ( 1) C 9 s( 0.00%)p 1.00( 94.98%)d 0.05( 5.02%) 0.0000 -0.0030 -0.0013 0.0034 0.0077 0.3354 -0.0270 -0.8806 -0.0106 -0.2469 -0.0711 -0.0410 0.1039 0.1283 0.1271 126. (0.00157) RY ( 2) C 9 s( 8.48%)p 8.68( 73.62%)d 2.11( 17.90%) 0.0000 0.0077 0.2909 -0.0121 0.0025 0.7409 0.0049 0.3490 -0.0059 -0.2557 -0.0812 -0.1617 -0.0878 -0.2884 0.2352 127. (0.00045) RY ( 3) C 9 s( 53.07%)p 0.41( 21.96%)d 0.47( 24.97%) 0.0000 -0.0049 0.7261 -0.0595 0.0042 -0.2976 0.0072 -0.1898 -0.0212 0.3074 -0.0927 -0.4478 -0.1039 -0.1381 0.1035 128. (0.00041) RY ( 4) C 9 s( 1.91%)p26.02( 49.78%)d25.25( 48.31%) 0.0000 0.0078 0.1253 -0.0580 0.0074 -0.3509 -0.0102 0.0836 -0.0040 -0.6062 0.5020 -0.0925 0.3096 -0.0282 0.3548 129. (0.00024) RY ( 5) C 9 s( 31.20%)p 0.03( 0.88%)d 2.18( 67.92%) 0.0000 0.0039 0.5311 -0.1728 0.0115 -0.0137 0.0032 -0.0092 0.0114 -0.0910 -0.0539 0.8110 -0.0510 0.1198 -0.0410 130. (0.00011) RY ( 6) C 9 s( 8.10%)p 2.49( 20.20%)d 8.86( 71.70%) 0.0000 -0.0070 -0.1359 0.2499 0.0112 0.0043 0.0069 -0.1496 -0.0085 0.4235 0.2261 0.3170 0.0928 -0.5637 0.4889 131. (0.00003) RY ( 7) C 9 s( 9.74%)p 2.90( 28.24%)d 6.37( 62.02%) 132. (0.00001) RY ( 8) C 9 s( 0.27%)p12.94( 3.46%)d99.99( 96.27%) 133. (0.00001) RY ( 9) C 9 s( 9.56%)p 0.53( 5.09%)d 8.93( 85.35%) 134. (0.00000) RY (10) C 9 s( 77.67%)p 0.03( 2.06%)d 0.26( 20.27%) 135. (0.00475) RY ( 1) C 10 s( 0.20%)p99.99( 93.56%)d30.44( 6.23%) 0.0000 0.0072 0.0445 -0.0038 -0.0122 -0.7547 -0.0051 -0.6013 -0.0030 0.0649 -0.0930 0.0712 0.0005 -0.2198 -0.0175 136. (0.00303) RY ( 2) C 10 s( 0.12%)p99.99( 88.55%)d90.82( 11.33%) 0.0000 0.0141 0.0300 0.0122 -0.0075 -0.4541 -0.0020 0.5185 -0.0191 -0.6403 -0.1629 0.2304 -0.1437 0.1057 -0.0422 137. (0.00268) RY ( 3) C 10 s( 5.85%)p14.33( 83.91%)d 1.75( 10.23%) 0.0000 0.0091 0.2415 0.0124 0.0094 -0.3673 -0.0051 0.5519 0.0136 0.6320 -0.1415 -0.1943 0.1957 -0.0227 0.0759 138. (0.00053) RY ( 4) C 10 s( 60.35%)p 0.01( 0.38%)d 0.65( 39.26%) 0.0000 -0.0009 0.7750 -0.0536 0.0164 0.0541 -0.0143 -0.0053 -0.0080 -0.0181 0.3929 0.0285 -0.4446 -0.1690 -0.1061 139. (0.00030) RY ( 5) C 10 s( 4.12%)p 0.83( 3.43%)d22.42( 92.44%) 0.0000 -0.0027 0.1619 -0.1225 -0.0095 0.1220 0.0114 -0.1387 -0.0020 0.0014 -0.7257 -0.3099 -0.4702 0.1846 0.2158 140. (0.00022) RY ( 6) C 10 s( 26.98%)p 0.13( 3.41%)d 2.58( 69.61%) 0.0000 -0.0049 0.4141 -0.3135 0.0047 0.0467 0.0105 -0.1760 0.0005 -0.0288 -0.1559 0.2610 0.4821 0.5700 -0.2151 141. (0.00012) RY ( 7) C 10 s( 5.05%)p 1.61( 8.11%)d17.20( 86.85%) 0.0000 -0.0056 0.2048 -0.0923 -0.0142 0.2440 -0.0086 0.0528 0.0064 -0.1356 -0.4197 0.1999 0.3387 -0.7297 -0.0716 142. (0.00003) RY ( 8) C 10 s( 37.40%)p 0.25( 9.32%)d 1.42( 53.28%) 143. (0.00002) RY ( 9) C 10 s( 59.11%)p 0.15( 9.10%)d 0.54( 31.79%) 144. (0.00001) RY (10) C 10 s( 0.86%)p 0.46( 0.40%)d99.99( 98.74%) 145. (0.00247) RY ( 1) C 11 s( 0.00%)p 1.00( 94.18%)d 0.06( 5.82%) 0.0000 0.0025 -0.0022 -0.0015 -0.0228 -0.9366 0.0007 0.1645 0.0006 0.1921 0.2108 -0.0040 -0.0514 0.1018 -0.0274 146. (0.00074) RY ( 2) C 11 s( 9.17%)p 8.55( 78.46%)d 1.35( 12.37%) 0.0000 -0.0118 0.3005 0.0352 0.0095 0.2025 -0.0150 0.6568 0.0073 0.5584 -0.1511 0.0078 -0.3029 -0.0624 0.0722 147. (0.00053) RY ( 3) C 11 s( 5.27%)p10.82( 57.09%)d 7.13( 37.63%) 0.0000 -0.0085 0.2286 0.0200 0.0008 -0.0110 -0.0155 0.5912 -0.0132 -0.4700 0.0564 -0.1264 0.5963 0.0057 -0.0393 148. (0.00007) RY ( 4) C 11 s( 57.19%)p 0.13( 7.71%)d 0.61( 35.10%) 149. (0.00004) RY ( 5) C 11 s( 21.88%)p 1.46( 32.00%)d 2.11( 46.12%) 150. (0.00002) RY ( 6) C 11 s( 16.91%)p 0.41( 6.87%)d 4.51( 76.22%) 151. (0.00001) RY ( 7) C 11 s( 8.17%)p 0.39( 3.18%)d10.85( 88.65%) 152. (0.00001) RY ( 8) C 11 s( 2.86%)p 6.32( 18.09%)d27.62( 79.05%) 153. (0.00000) RY ( 9) C 11 s( 75.53%)p 0.03( 2.35%)d 0.29( 22.12%) 154. (0.00000) RY (10) C 11 s( 3.02%)p 0.12( 0.37%)d31.94( 96.61%) 155. (0.00209) RY ( 1) H 12 s(100.00%) -0.0043 1.0000 156. (0.00079) RY ( 1) H 13 s(100.00%) -0.0009 1.0000 157. (0.00106) RY ( 1) H 14 s(100.00%) -0.0014 1.0000 158. (0.00534) RY ( 1) C 15 s( 1.20%)p78.41( 94.39%)d 3.66( 4.41%) 0.0000 0.0023 0.1083 -0.0176 0.0090 0.4811 0.0199 0.8392 -0.0016 -0.0876 0.0681 0.0296 -0.0150 -0.1951 -0.0169 159. (0.00111) RY ( 2) C 15 s( 1.92%)p47.11( 90.27%)d 4.08( 7.81%) 0.0000 0.0036 0.1011 -0.0945 0.0203 -0.8098 -0.0086 0.4948 -0.0060 0.0384 0.1441 -0.0675 -0.0282 0.2248 -0.0385 160. (0.00065) RY ( 3) C 15 s( 0.70%)p99.99( 87.09%)d17.32( 12.20%) 0.0000 0.0000 0.0702 -0.0459 0.0076 0.0797 -0.0021 0.0501 0.0173 0.9283 -0.0347 0.3137 0.0799 0.0762 -0.1010 161. (0.00042) RY ( 4) C 15 s( 82.61%)p 0.05( 3.81%)d 0.16( 13.58%) 0.0000 0.0039 0.8773 -0.2376 -0.0115 0.1408 0.0081 -0.1177 0.0006 -0.0647 -0.0821 -0.1334 0.0622 0.3181 0.0790 162. (0.00014) RY ( 5) C 15 s( 1.69%)p 2.73( 4.61%)d55.55( 93.71%) 0.0000 0.0005 -0.0300 0.1264 -0.0265 0.1773 0.0101 -0.0882 0.0062 -0.0775 0.8339 0.2110 -0.1280 0.4077 -0.1206 163. (0.00012) RY ( 6) C 15 s( 1.75%)p 6.31( 11.04%)d49.79( 87.20%) 0.0000 0.0003 0.1275 0.0354 0.0082 -0.1017 0.0002 0.0007 0.0030 -0.3163 -0.2856 0.8427 -0.1033 0.0210 -0.2631 164. (0.00005) RY ( 7) C 15 s( 85.32%)p 0.02( 1.76%)d 0.15( 12.93%) 165. (0.00002) RY ( 8) C 15 s( 18.38%)p 0.28( 5.16%)d 4.16( 76.46%) 166. (0.00000) RY ( 9) C 15 s( 1.47%)p 1.02( 1.50%)d66.14( 97.03%) 167. (0.00000) RY (10) C 15 s( 5.00%)p 0.12( 0.59%)d18.89( 94.42%) 168. (0.01244) RY ( 1) C 16 s( 11.50%)p 7.54( 86.69%)d 0.16( 1.81%) 0.0000 0.0529 0.3293 0.0615 0.0585 -0.4506 0.0585 -0.8019 -0.0150 0.1170 0.0959 -0.0161 -0.0071 0.0928 -0.0006 169. (0.00442) RY ( 2) C 16 s( 26.63%)p 0.15( 3.96%)d 2.61( 69.40%) 0.0000 0.0017 0.5159 -0.0142 -0.0231 0.1874 0.0415 -0.0358 0.0004 -0.0315 -0.5073 0.1228 0.0449 -0.6446 -0.0636 170. (0.00216) RY ( 3) C 16 s( 8.11%)p 9.91( 80.40%)d 1.42( 11.49%) 0.0000 0.0050 0.2848 -0.0034 -0.0039 -0.7088 0.0426 0.5291 0.0022 0.1406 -0.2707 -0.0375 0.0392 0.1942 0.0309 171. (0.00144) RY ( 4) C 16 s( 0.04%)p99.99( 7.01%)d99.99( 92.95%) 0.0000 -0.0001 0.0166 -0.0092 -0.0078 -0.0597 -0.0003 0.0112 -0.0471 -0.2533 0.1078 0.7042 0.5753 0.1246 -0.2748 172. (0.00028) RY ( 5) C 16 s( 51.18%)p 0.38( 19.69%)d 0.57( 29.14%) 0.0000 -0.0057 0.7145 -0.0350 0.0070 0.4195 0.0236 0.1416 -0.0011 -0.0157 0.2660 -0.0930 -0.0214 0.4599 0.0031 173. (0.00011) RY ( 6) C 16 s( 79.71%)p 0.03( 2.30%)d 0.23( 17.99%) 0.0000 -0.0138 0.0659 0.8903 -0.0140 -0.0470 -0.0156 0.1365 0.0035 0.0408 0.2896 -0.0310 -0.0551 -0.2064 -0.2223 174. (0.00003) RY ( 7) C 16 s( 0.39%)p99.99( 86.89%)d32.30( 12.71%) 175. (0.00000) RY ( 8) C 16 s( 18.36%)p 0.43( 7.90%)d 4.02( 73.75%) 176. (0.00000) RY ( 9) C 16 s( 0.42%)p11.98( 5.08%)d99.99( 94.50%) 177. (0.00000) RY (10) C 16 s( 3.54%)p 0.22( 0.76%)d27.06( 95.70%) 178. (0.00277) RY ( 1) O 17 s( 0.58%)p99.99( 99.12%)d 0.53( 0.31%) 0.0000 -0.0008 0.0732 -0.0202 0.0099 -0.8783 -0.0066 0.4547 -0.0020 0.1134 -0.0463 0.0131 0.0052 -0.0243 0.0117 179. (0.00040) RY ( 2) O 17 s( 0.01%)p 1.00( 94.36%)d 0.06( 5.63%) 0.0000 -0.0004 0.0082 -0.0023 -0.0035 -0.1479 -0.0005 -0.0462 -0.0214 -0.9587 -0.0095 -0.1906 -0.1104 -0.0346 0.0808 180. (0.00022) RY ( 3) O 17 s( 40.15%)p 1.09( 43.63%)d 0.40( 16.22%) 0.0000 0.0163 0.6273 -0.0882 -0.0174 -0.2376 -0.0400 -0.6112 0.0052 0.0662 -0.3341 0.0243 0.0831 0.1580 0.1344 181. (0.00006) RY ( 4) O 17 s( 54.15%)p 0.65( 35.27%)d 0.20( 10.58%) 182. (0.00003) RY ( 5) O 17 s( 70.99%)p 0.02( 1.24%)d 0.39( 27.76%) 183. (0.00000) RY ( 6) O 17 s( 21.68%)p 0.06( 1.21%)d 3.56( 77.11%) 184. (0.00000) RY ( 7) O 17 s( 8.35%)p 1.58( 13.18%)d 9.40( 78.47%) 185. (0.00000) RY ( 8) O 17 s( 2.97%)p 0.50( 1.49%)d32.17( 95.53%) 186. (0.00000) RY ( 9) O 17 s( 1.03%)p 6.05( 6.26%)d89.62( 92.71%) 187. (0.00000) RY (10) O 17 s( 0.08%)p61.98( 5.04%)d99.99( 94.87%) 188. (0.00380) RY ( 1) H 18 s(100.00%) -0.0127 0.9999 189. (0.00143) RY ( 1) H 19 s(100.00%) -0.0029 1.0000 190. (0.00185) RY ( 1) H 20 s(100.00%) -0.0033 1.0000 191. (0.00151) RY ( 1) H 21 s(100.00%) -0.0025 1.0000 192. (0.00171) RY ( 1) H 22 s(100.00%) -0.0031 1.0000 193. (0.00118) RY ( 1) H 23 s(100.00%) -0.0018 1.0000 194. (0.00146) RY ( 1) H 24 s(100.00%) -0.0028 1.0000 195. (0.00084) RY ( 1) H 25 s(100.00%) -0.0007 1.0000 196. (0.00124) RY ( 1) H 26 s(100.00%) -0.0020 1.0000 197. (0.00126) RY ( 1) H 27 s(100.00%) -0.0021 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 =============================================================================== 12. LP ( 1) O 17 -- -- 97.7 60.6 -- -- -- -- 13. LP ( 2) O 17 -- -- 83.6 151.8 -- -- -- -- 14. BD ( 1) C 1- C 2 99.1 31.0 -- -- -- 81.0 212.3 1.2 18. BD ( 1) C 2- C 3 88.7 96.1 89.1 94.3 1.9 -- -- -- 19. BD ( 1) C 2- C 7 99.6 330.8 98.6 331.4 1.2 79.4 149.1 1.9 20. BD ( 2) C 2- C 7 99.6 330.8 171.1 186.1 87.6 167.0 175.4 87.8 24. BD ( 1) C 7- C 8 99.6 22.9 100.3 25.1 2.3 -- -- -- 26. BD ( 1) C 8- C 9 43.1 340.0 -- -- -- 138.0 158.5 1.5 29. BD ( 1) C 9- C 10 100.0 18.5 -- -- -- 79.4 199.5 1.2 32. BD ( 1) C 10- C 11 91.9 82.1 92.1 80.9 1.2 -- -- -- 33. BD ( 1) C 10- C 15 97.8 317.4 -- -- -- 83.0 135.6 2.0 34. BD ( 2) C 10- C 15 97.8 317.4 12.1 355.3 88.2 9.9 7.5 88.6 38. BD ( 1) C 15- C 16 100.2 10.4 100.3 11.9 1.5 80.2 187.6 2.7 40. BD ( 1) C 16- O 17 97.3 63.4 95.7 64.7 2.0 81.4 243.7 1.4 41. BD ( 2) C 16- O 17 97.3 63.4 172.0 182.5 86.7 168.8 207.9 88.1 42. BD ( 1) C 16- H 18 92.6 303.4 93.0 306.3 2.9 -- -- -- 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 12. LP ( 1) O 17 64. BD*( 1) C 11- H 12 1.01 1.04 0.029 12. LP ( 1) O 17 67. BD*( 1) C 15- C 16 1.67 1.02 0.037 12. LP ( 1) O 17 71. BD*( 1) C 16- H 18 0.60 0.97 0.022 12. LP ( 1) O 17 168. RY ( 1) C 16 7.93 1.32 0.091 13. LP ( 2) O 17 64. BD*( 1) C 11- H 12 2.39 0.74 0.038 13. LP ( 2) O 17 67. BD*( 1) C 15- C 16 18.26 0.72 0.102 13. LP ( 2) O 17 71. BD*( 1) C 16- H 18 21.37 0.67 0.107 13. LP ( 2) O 17 169. RY ( 2) C 16 2.87 2.27 0.072 13. LP ( 2) O 17 172. RY ( 5) C 16 0.99 1.73 0.037 13. LP ( 2) O 17 188. RY ( 1) H 18 0.54 0.88 0.019 14. BD ( 1) C 1- C 2 48. BD*( 1) C 2- C 7 1.84 1.21 0.042 14. BD ( 1) C 1- C 2 50. BD*( 1) C 3- H 4 1.30 0.99 0.032 14. BD ( 1) C 1- C 2 53. BD*( 1) C 7- C 8 3.84 0.97 0.054 14. BD ( 1) C 1- C 2 92. RY ( 1) C 3 0.93 1.37 0.032 14. BD ( 1) C 1- C 2 105. RY ( 1) C 7 1.59 1.71 0.047 15. BD ( 1) C 1- H 25 47. BD*( 1) C 2- C 3 3.22 0.89 0.048 15. BD ( 1) C 1- H 25 84. RY ( 3) C 2 0.58 1.40 0.025 16. BD ( 1) C 1- H 26 48. BD*( 1) C 2- C 7 1.28 1.16 0.034 16. BD ( 1) C 1- H 26 49. BD*( 2) C 2- C 7 3.88 0.54 0.041 16. BD ( 1) C 1- H 26 83. RY ( 2) C 2 0.57 1.37 0.025 17. BD ( 1) C 1- H 27 48. BD*( 1) C 2- C 7 1.38 1.16 0.036 17. BD ( 1) C 1- H 27 49. BD*( 2) C 2- C 7 3.65 0.54 0.039 18. BD ( 1) C 2- C 3 44. BD*( 1) C 1- H 25 1.13 0.99 0.030 18. BD ( 1) C 2- C 3 48. BD*( 1) C 2- C 7 1.85 1.22 0.042 18. BD ( 1) C 2- C 3 54. BD*( 1) C 7- H 24 2.27 1.00 0.042 18. BD ( 1) C 2- C 3 72. RY ( 1) C 1 0.92 1.36 0.031 18. BD ( 1) C 2- C 3 105. RY ( 1) C 7 1.12 1.72 0.039 19. BD ( 1) C 2- C 7 43. BD*( 1) C 1- C 2 1.54 1.03 0.036 19. BD ( 1) C 2- C 7 47. BD*( 1) C 2- C 3 1.76 1.03 0.038 19. BD ( 1) C 2- C 7 53. BD*( 1) C 7- C 8 1.72 1.05 0.038 19. BD ( 1) C 2- C 7 54. BD*( 1) C 7- H 24 1.36 1.07 0.034 19. BD ( 1) C 2- C 7 72. RY ( 1) C 1 0.66 1.43 0.028 19. BD ( 1) C 2- C 7 92. RY ( 1) C 3 0.52 1.45 0.024 19. BD ( 1) C 2- C 7 115. RY ( 1) C 8 1.57 1.66 0.046 20. BD ( 2) C 2- C 7 45. BD*( 1) C 1- H 26 2.79 0.70 0.039 20. BD ( 2) C 2- C 7 46. BD*( 1) C 1- H 27 2.70 0.70 0.039 20. BD ( 2) C 2- C 7 51. BD*( 1) C 3- H 5 2.45 0.70 0.037 20. BD ( 2) C 2- C 7 52. BD*( 1) C 3- H 6 2.48 0.70 0.037 20. BD ( 2) C 2- C 7 55. BD*( 1) C 8- C 9 3.26 0.61 0.040 20. BD ( 2) C 2- C 7 56. BD*( 1) C 8- H 22 2.28 0.70 0.036 21. BD ( 1) C 3- H 4 43. BD*( 1) C 1- C 2 3.08 0.90 0.047 21. BD ( 1) C 3- H 4 57. BD*( 1) C 8- H 23 0.67 0.93 0.022 21. BD ( 1) C 3- H 4 84. RY ( 3) C 2 0.61 1.41 0.026 22. BD ( 1) C 3- H 5 48. BD*( 1) C 2- C 7 1.58 1.16 0.038 22. BD ( 1) C 3- H 5 49. BD*( 2) C 2- C 7 3.89 0.54 0.041 23. BD ( 1) C 3- H 6 48. BD*( 1) C 2- C 7 1.54 1.16 0.038 23. BD ( 1) C 3- H 6 49. BD*( 2) C 2- C 7 4.07 0.54 0.042 23. BD ( 1) C 3- H 6 83. RY ( 2) C 2 0.69 1.38 0.027 24. BD ( 1) C 7- C 8 43. BD*( 1) C 1- C 2 3.01 0.95 0.048 24. BD ( 1) C 7- C 8 48. BD*( 1) C 2- C 7 2.00 1.22 0.044 24. BD ( 1) C 7- C 8 55. BD*( 1) C 8- C 9 0.56 0.89 0.020 24. BD ( 1) C 7- C 8 56. BD*( 1) C 8- H 22 0.57 0.97 0.021 24. BD ( 1) C 7- C 8 58. BD*( 1) C 9- C 10 1.81 0.95 0.037 24. BD ( 1) C 7- C 8 82. RY ( 1) C 2 2.66 1.74 0.061 24. BD ( 1) C 7- C 8 126. RY ( 2) C 9 1.20 1.55 0.039 25. BD ( 1) C 7- H 24 43. BD*( 1) C 1- C 2 0.57 0.89 0.020 25. BD ( 1) C 7- H 24 47. BD*( 1) C 2- C 3 6.13 0.89 0.066 25. BD ( 1) C 7- H 24 48. BD*( 1) C 2- C 7 1.00 1.16 0.030 25. BD ( 1) C 7- H 24 57. BD*( 1) C 8- H 23 2.13 0.92 0.040 25. BD ( 1) C 7- H 24 82. RY ( 1) C 2 1.22 1.68 0.040 25. BD ( 1) C 7- H 24 115. RY ( 1) C 8 0.73 1.52 0.030 26. BD ( 1) C 8- C 9 48. BD*( 1) C 2- C 7 0.87 1.20 0.029 26. BD ( 1) C 8- C 9 49. BD*( 2) C 2- C 7 2.67 0.58 0.035 26. BD ( 1) C 8- C 9 53. BD*( 1) C 7- C 8 0.51 0.95 0.020 26. BD ( 1) C 8- C 9 62. BD*( 1) C 10- C 15 0.78 1.16 0.027 26. BD ( 1) C 8- C 9 63. BD*( 2) C 10- C 15 3.21 0.55 0.038 26. BD ( 1) C 8- C 9 106. RY ( 2) C 7 1.36 1.34 0.038 26. BD ( 1) C 8- C 9 136. RY ( 2) C 10 1.10 1.46 0.036 27. BD ( 1) C 8- H 22 48. BD*( 1) C 2- C 7 1.77 1.15 0.040 27. BD ( 1) C 8- H 22 49. BD*( 2) C 2- C 7 3.21 0.53 0.037 27. BD ( 1) C 8- H 22 59. BD*( 1) C 9- H 20 2.42 0.90 0.042 27. BD ( 1) C 8- H 22 125. RY ( 1) C 9 0.76 1.52 0.030 28. BD ( 1) C 8- H 23 50. BD*( 1) C 3- H 4 0.63 0.93 0.022 28. BD ( 1) C 8- H 23 54. BD*( 1) C 7- H 24 2.72 0.94 0.045 28. BD ( 1) C 8- H 23 60. BD*( 1) C 9- H 21 2.19 0.92 0.040 28. BD ( 1) C 8- H 23 125. RY ( 1) C 9 0.69 1.53 0.029 29. BD ( 1) C 9- C 10 53. BD*( 1) C 7- C 8 1.36 0.98 0.033 29. BD ( 1) C 9- C 10 55. BD*( 1) C 8- C 9 0.52 0.90 0.019 29. BD ( 1) C 9- C 10 62. BD*( 1) C 10- C 15 1.51 1.19 0.038 29. BD ( 1) C 9- C 10 64. BD*( 1) C 11- H 12 1.01 1.03 0.029 29. BD ( 1) C 9- C 10 67. BD*( 1) C 15- C 16 3.42 1.01 0.052 29. BD ( 1) C 9- C 10 116. RY ( 2) C 8 1.07 1.48 0.036 29. BD ( 1) C 9- C 10 145. RY ( 1) C 11 0.82 1.35 0.030 29. BD ( 1) C 9- C 10 158. RY ( 1) C 15 1.94 1.73 0.052 30. BD ( 1) C 9- H 20 56. BD*( 1) C 8- H 22 2.36 0.91 0.041 30. BD ( 1) C 9- H 20 62. BD*( 1) C 10- C 15 1.53 1.12 0.037 30. BD ( 1) C 9- H 20 63. BD*( 2) C 10- C 15 3.87 0.51 0.040 30. BD ( 1) C 9- H 20 115. RY ( 1) C 8 0.98 1.52 0.034 30. BD ( 1) C 9- H 20 137. RY ( 3) C 10 0.52 1.42 0.024 31. BD ( 1) C 9- H 21 57. BD*( 1) C 8- H 23 2.31 0.93 0.041 31. BD ( 1) C 9- H 21 61. BD*( 1) C 10- C 11 3.39 0.89 0.049 31. BD ( 1) C 9- H 21 115. RY ( 1) C 8 0.58 1.53 0.027 32. BD ( 1) C 10- C 11 60. BD*( 1) C 9- H 21 1.06 0.99 0.029 32. BD ( 1) C 10- C 11 62. BD*( 1) C 10- C 15 1.55 1.19 0.038 32. BD ( 1) C 10- C 11 64. BD*( 1) C 11- H 12 0.57 1.03 0.022 32. BD ( 1) C 10- C 11 68. BD*( 1) C 15- H 19 2.35 1.00 0.043 32. BD ( 1) C 10- C 11 125. RY ( 1) C 9 1.07 1.60 0.037 32. BD ( 1) C 10- C 11 158. RY ( 1) C 15 1.08 1.73 0.039 33. BD ( 1) C 10- C 15 58. BD*( 1) C 9- C 10 1.33 1.04 0.033 33. BD ( 1) C 10- C 15 61. BD*( 1) C 10- C 11 1.53 1.04 0.036 33. BD ( 1) C 10- C 15 67. BD*( 1) C 15- C 16 1.63 1.09 0.038 33. BD ( 1) C 10- C 15 68. BD*( 1) C 15- H 19 1.46 1.08 0.036 33. BD ( 1) C 10- C 15 125. RY ( 1) C 9 1.28 1.67 0.041 33. BD ( 1) C 10- C 15 145. RY ( 1) C 11 0.53 1.43 0.025 33. BD ( 1) C 10- C 15 168. RY ( 1) C 16 1.16 1.39 0.036 33. BD ( 1) C 10- C 15 170. RY ( 3) C 16 0.70 1.67 0.030 34. BD ( 2) C 10- C 15 55. BD*( 1) C 8- C 9 3.09 0.63 0.039 34. BD ( 2) C 10- C 15 59. BD*( 1) C 9- H 20 2.23 0.70 0.035 34. BD ( 2) C 10- C 15 63. BD*( 2) C 10- C 15 0.90 0.31 0.015 34. BD ( 2) C 10- C 15 65. BD*( 1) C 11- H 13 2.56 0.70 0.038 34. BD ( 2) C 10- C 15 66. BD*( 1) C 11- H 14 1.42 0.71 0.028 34. BD ( 2) C 10- C 15 70. BD*( 2) C 16- O 17 23.59 0.28 0.073 34. BD ( 2) C 10- C 15 171. RY ( 4) C 16 0.71 2.23 0.035 35. BD ( 1) C 11- H 12 58. BD*( 1) C 9- C 10 3.28 0.88 0.048 36. BD ( 1) C 11- H 13 62. BD*( 1) C 10- C 15 0.87 1.12 0.028 36. BD ( 1) C 11- H 13 63. BD*( 2) C 10- C 15 5.91 0.51 0.049 37. BD ( 1) C 11- H 14 62. BD*( 1) C 10- C 15 2.37 1.12 0.046 37. BD ( 1) C 11- H 14 63. BD*( 2) C 10- C 15 2.92 0.52 0.035 38. BD ( 1) C 15- C 16 58. BD*( 1) C 9- C 10 2.84 1.00 0.048 38. BD ( 1) C 15- C 16 62. BD*( 1) C 10- C 15 1.69 1.23 0.041 38. BD ( 1) C 15- C 16 135. RY ( 1) C 10 2.24 1.76 0.056 38. BD ( 1) C 15- C 16 178. RY ( 1) O 17 1.11 1.78 0.040 39. BD ( 1) C 15- H 19 61. BD*( 1) C 10- C 11 5.48 0.90 0.063 39. BD ( 1) C 15- H 19 62. BD*( 1) C 10- C 15 1.10 1.13 0.031 39. BD ( 1) C 15- H 19 69. BD*( 1) C 16- O 17 3.53 1.09 0.055 39. BD ( 1) C 15- H 19 135. RY ( 1) C 10 1.39 1.67 0.043 39. BD ( 1) C 15- H 19 170. RY ( 3) C 16 0.66 1.53 0.028 40. BD ( 1) C 16- O 17 68. BD*( 1) C 15- H 19 0.51 1.35 0.023 40. BD ( 1) C 16- O 17 159. RY ( 2) C 15 0.55 1.84 0.028 41. BD ( 2) C 16- O 17 63. BD*( 2) C 10- C 15 5.26 0.41 0.042 41. BD ( 2) C 16- O 17 160. RY ( 3) C 15 0.65 1.14 0.024 42. BD ( 1) C 16- H 18 62. BD*( 1) C 10- C 15 3.66 1.15 0.058 42. BD ( 1) C 16- H 18 158. RY ( 1) C 15 0.82 1.69 0.033 42. BD ( 1) C 16- H 18 178. RY ( 1) O 17 1.36 1.70 0.043 NATURAL BOND ORBITALS (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) =============================================================================== Molecular unit 1 (C10H16O) ------ Lewis -------------------------------------- 1. CR ( 1) C 1 1.99999 -10.18186 2. CR ( 1) C 2 2.00000 -10.19554 3. CR ( 1) C 3 1.99999 -10.18411 4. CR ( 1) C 7 2.00000 -10.18098 5. CR ( 1) C 8 1.99999 -10.19473 6. CR ( 1) C 9 1.99999 -10.19708 7. CR ( 1) C 10 2.00000 -10.22215 8. CR ( 1) C 11 1.99999 -10.18105 9. CR ( 1) C 15 2.00000 -10.18811 10. CR ( 1) C 16 2.00000 -10.26567 11. CR ( 1) O 17 2.00000 -19.13412 12. LP ( 1) O 17 1.98132 -0.55019 168(v),67(v),64(r),71(v) 13. LP ( 2) O 17 1.88373 -0.25093 71(v),67(v),169(v),64(r) 172(v),188(r) 14. BD ( 1) C 1- C 2 1.98105 -0.52395 53(v),48(g),105(v),50(v) 92(v) 15. BD ( 1) C 1- H 25 1.99059 -0.46678 47(v),84(v) 16. BD ( 1) C 1- H 26 1.98184 -0.46440 49(v),48(v),83(v) 17. BD ( 1) C 1- H 27 1.98186 -0.46427 49(v),48(v) 18. BD ( 1) C 2- C 3 1.98263 -0.52850 54(v),48(g),44(v),105(v) 72(v) 19. BD ( 1) C 2- C 7 1.98257 -0.60388 47(g),53(g),115(v),43(g) 54(g),72(v),92(v) 20. BD ( 2) C 2- C 7 1.94186 -0.25439 55(v),45(v),46(v),52(v) 51(v),56(v) 21. BD ( 1) C 3- H 4 1.98965 -0.47149 43(v),57(r),84(v) 22. BD ( 1) C 3- H 5 1.98073 -0.46576 49(v),48(v) 23. BD ( 1) C 3- H 6 1.98080 -0.46604 49(v),48(v),83(v) 24. BD ( 1) C 7- C 8 1.97971 -0.52694 43(v),82(v),48(g),58(v) 126(v),56(g),55(g) 25. BD ( 1) C 7- H 24 1.97691 -0.46577 47(v),57(v),82(v),48(g) 115(v),43(v) 26. BD ( 1) C 8- C 9 1.96343 -0.50595 63(v),49(v),106(v),136(v) 48(v),62(v),53(g) 27. BD ( 1) C 8- H 22 1.97418 -0.46138 49(v),59(v),48(v),125(v) 28. BD ( 1) C 8- H 23 1.98122 -0.46923 54(v),60(v),125(v),50(r) 29. BD ( 1) C 9- C 10 1.97734 -0.53805 67(v),158(v),62(g),53(v) 116(v),64(v),145(v),55(g) 30. BD ( 1) C 9- H 20 1.97035 -0.46632 63(v),56(v),62(v),115(v) 137(v) 31. BD ( 1) C 9- H 21 1.98283 -0.46937 61(v),57(v),115(v) 32. BD ( 1) C 10- C 11 1.98245 -0.54040 68(v),62(g),158(v),125(v) 60(v),64(g) 33. BD ( 1) C 10- C 15 1.98238 -0.61731 67(g),61(g),68(g),58(g) 125(v),168(v),170(v),145(v) 34. BD ( 2) C 10- C 15 1.84563 -0.26486 70(v),55(v),65(v),59(v) 66(v),63(g),171(v) 35. BD ( 1) C 11- H 12 1.98742 -0.46257 58(v) 36. BD ( 1) C 11- H 13 1.96804 -0.46636 63(v),62(v) 37. BD ( 1) C 11- H 14 1.98021 -0.46848 63(v),62(v) 38. BD ( 1) C 15- C 16 1.98785 -0.57981 58(v),135(v),62(g),178(v) 39. BD ( 1) C 15- H 19 1.97841 -0.48117 61(v),69(v),135(v),62(g) 170(v) 40. BD ( 1) C 16- O 17 1.99733 -0.88701 159(v),68(v) 41. BD ( 2) C 16- O 17 1.97887 -0.36429 63(v),160(v) 42. BD ( 1) C 16- H 18 1.98950 -0.49772 62(v),178(v),158(v) ------ non-Lewis ---------------------------------- 43. BD*( 1) C 1- C 2 0.01573 0.42495 44. BD*( 1) C 1- H 25 0.00525 0.45744 45. BD*( 1) C 1- H 26 0.01048 0.44374 46. BD*( 1) C 1- H 27 0.01050 0.44409 47. BD*( 1) C 2- C 3 0.02020 0.42545 48. BD*( 1) C 2- C 7 0.01836 0.69101 49. BD*( 2) C 2- C 7 0.07991 0.07094 50. BD*( 1) C 3- H 4 0.00660 0.46293 51. BD*( 1) C 3- H 5 0.01018 0.44228 52. BD*( 1) C 3- H 6 0.00992 0.44178 53. BD*( 1) C 7- C 8 0.01517 0.44139 54. BD*( 1) C 7- H 24 0.01599 0.46849 55. BD*( 1) C 8- C 9 0.02114 0.36047 56. BD*( 1) C 8- H 22 0.01580 0.44292 57. BD*( 1) C 8- H 23 0.01439 0.45706 58. BD*( 1) C 9- C 10 0.02082 0.41939 59. BD*( 1) C 9- H 20 0.01527 0.43844 60. BD*( 1) C 9- H 21 0.01243 0.44646 61. BD*( 1) C 10- C 11 0.01896 0.41978 62. BD*( 1) C 10- C 15 0.01899 0.64993 63. BD*( 2) C 10- C 15 0.09201 0.04851 64. BD*( 1) C 11- H 12 0.01323 0.49261 65. BD*( 1) C 11- H 13 0.00795 0.43886 66. BD*( 1) C 11- H 14 0.00826 0.44173 67. BD*( 1) C 15- C 16 0.05170 0.46949 68. BD*( 1) C 15- H 19 0.01442 0.46351 69. BD*( 1) C 16- O 17 0.00638 0.60460 70. BD*( 2) C 16- O 17 0.13418 0.01917 71. BD*( 1) C 16- H 18 0.06029 0.41738 72. RY ( 1) C 1 0.00262 0.82678 73. RY ( 2) C 1 0.00054 1.73534 74. RY ( 3) C 1 0.00026 0.97312 75. RY ( 4) C 1 0.00004 1.57086 76. RY ( 5) C 1 0.00002 1.32737 77. RY ( 6) C 1 0.00001 2.06250 78. RY ( 7) C 1 0.00000 3.41966 79. RY ( 8) C 1 0.00000 2.20948 80. RY ( 9) C 1 0.00000 1.64818 81. RY (10) C 1 0.00000 1.91965 82. RY ( 1) C 2 0.00408 1.21234 83. RY ( 2) C 2 0.00270 0.90986 84. RY ( 3) C 2 0.00251 0.93494 85. RY ( 4) C 2 0.00036 2.21807 86. RY ( 5) C 2 0.00020 1.89258 87. RY ( 6) C 2 0.00014 2.58115 88. RY ( 7) C 2 0.00007 2.68820 89. RY ( 8) C 2 0.00003 1.81016 90. RY ( 9) C 2 0.00000 1.82514 91. RY (10) C 2 0.00000 2.73565 92. RY ( 1) C 3 0.00237 0.84530 93. RY ( 2) C 3 0.00052 1.69664 94. RY ( 3) C 3 0.00032 0.81523 95. RY ( 4) C 3 0.00005 1.56740 96. RY ( 5) C 3 0.00003 1.14350 97. RY ( 6) C 3 0.00001 2.15504 98. RY ( 7) C 3 0.00000 2.53773 99. RY ( 8) C 3 0.00000 1.87812 100. RY ( 9) C 3 0.00000 3.14623 101. RY (10) C 3 0.00000 1.93455 102. RY ( 1) H 4 0.00067 0.72467 103. RY ( 1) H 5 0.00120 0.66648 104. RY ( 1) H 6 0.00116 0.66660 105. RY ( 1) C 7 0.00452 1.19077 106. RY ( 2) C 7 0.00279 0.83064 107. RY ( 3) C 7 0.00147 0.86728 108. RY ( 4) C 7 0.00033 1.29229 109. RY ( 5) C 7 0.00011 2.41908 110. RY ( 6) C 7 0.00007 1.89171 111. RY ( 7) C 7 0.00003 2.56579 112. RY ( 8) C 7 0.00001 2.33981 113. RY ( 9) C 7 0.00001 3.01279 114. RY (10) C 7 0.00000 2.12893 115. RY ( 1) C 8 0.00457 1.05614 116. RY ( 2) C 8 0.00186 0.94112 117. RY ( 3) C 8 0.00057 1.51392 118. RY ( 4) C 8 0.00035 1.48590 119. RY ( 5) C 8 0.00023 1.61505 120. RY ( 6) C 8 0.00012 2.10567 121. RY ( 7) C 8 0.00005 1.86511 122. RY ( 8) C 8 0.00001 2.45475 123. RY ( 9) C 8 0.00000 2.03282 124. RY (10) C 8 0.00000 3.45431 125. RY ( 1) C 9 0.00490 1.05741 126. RY ( 2) C 9 0.00157 1.02713 127. RY ( 3) C 9 0.00045 1.43875 128. RY ( 4) C 9 0.00041 1.33907 129. RY ( 5) C 9 0.00024 2.06013 130. RY ( 6) C 9 0.00011 1.96637 131. RY ( 7) C 9 0.00003 1.94256 132. RY ( 8) C 9 0.00001 2.07639 133. RY ( 9) C 9 0.00001 2.09920 134. RY (10) C 9 0.00000 3.50067 135. RY ( 1) C 10 0.00475 1.18438 136. RY ( 2) C 10 0.00303 0.95478 137. RY ( 3) C 10 0.00268 0.95468 138. RY ( 4) C 10 0.00053 1.58536 139. RY ( 5) C 10 0.00030 2.06276 140. RY ( 6) C 10 0.00022 2.16774 141. RY ( 7) C 10 0.00012 2.16406 142. RY ( 8) C 10 0.00003 2.75638 143. RY ( 9) C 10 0.00002 2.87894 144. RY (10) C 10 0.00001 2.17636 145. RY ( 1) C 11 0.00247 0.81654 146. RY ( 2) C 11 0.00074 0.87288 147. RY ( 3) C 11 0.00053 1.18500 148. RY ( 4) C 11 0.00007 1.81693 149. RY ( 5) C 11 0.00004 1.74508 150. RY ( 6) C 11 0.00002 1.86643 151. RY ( 7) C 11 0.00001 2.09066 152. RY ( 8) C 11 0.00001 1.84636 153. RY ( 9) C 11 0.00000 3.44057 154. RY (10) C 11 0.00000 2.12668 155. RY ( 1) H 12 0.00209 0.73653 156. RY ( 1) H 13 0.00079 0.70337 157. RY ( 1) H 14 0.00106 0.67659 158. RY ( 1) C 15 0.00534 1.19331 159. RY ( 2) C 15 0.00111 0.94832 160. RY ( 3) C 15 0.00065 0.77781 161. RY ( 4) C 15 0.00042 1.20598 162. RY ( 5) C 15 0.00014 2.20504 163. RY ( 6) C 15 0.00012 1.81516 164. RY ( 7) C 15 0.00005 3.71650 165. RY ( 8) C 15 0.00002 2.44552 166. RY ( 9) C 15 0.00000 1.85982 167. RY (10) C 15 0.00000 2.21399 168. RY ( 1) C 16 0.01244 0.76865 169. RY ( 2) C 16 0.00442 2.01522 170. RY ( 3) C 16 0.00216 1.05013 171. RY ( 4) C 16 0.00144 1.96463 172. RY ( 5) C 16 0.00028 1.48167 173. RY ( 6) C 16 0.00011 3.65484 174. RY ( 7) C 16 0.00003 0.75508 175. RY ( 8) C 16 0.00000 2.24743 176. RY ( 9) C 16 0.00000 1.77614 177. RY (10) C 16 0.00000 2.13383 178. RY ( 1) O 17 0.00277 1.19873 179. RY ( 2) O 17 0.00040 1.03009 180. RY ( 3) O 17 0.00022 1.64466 181. RY ( 4) O 17 0.00006 1.46697 182. RY ( 5) O 17 0.00003 2.88758 183. RY ( 6) O 17 0.00000 2.38070 184. RY ( 7) O 17 0.00000 2.31240 185. RY ( 8) O 17 0.00000 2.11694 186. RY ( 9) O 17 0.00000 2.21605 187. RY (10) O 17 0.00000 1.99114 188. RY ( 1) H 18 0.00380 0.63008 189. RY ( 1) H 19 0.00143 0.62198 190. RY ( 1) H 20 0.00185 0.67157 191. RY ( 1) H 21 0.00151 0.68275 192. RY ( 1) H 22 0.00171 0.66336 193. RY ( 1) H 23 0.00118 0.78859 194. RY ( 1) H 24 0.00146 0.64313 195. RY ( 1) H 25 0.00084 0.67203 196. RY ( 1) H 26 0.00124 0.66756 197. RY ( 1) H 27 0.00126 0.66748 ------------------------------- Total Lewis 83.14265 ( 98.9793%) Valence non-Lewis 0.74452 ( 0.8863%) Rydberg non-Lewis 0.11283 ( 0.1343%) ------------------------------- Total unit 1 84.00000 (100.0000%) Charge unit 1 0.00000 $CHOOSE LONE 17 2 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END $END NATURAL RESONANCE THEORY ANALYSIS: Parent structure threshold: 50% of leading weight Delocalization list threshold: 1 kcal/mol Maximum search cycles: 3 C1 symmetry, 1 symmetry operator(s), 1 unique atom permutation(s) 1 initial TOPO matrices: NLS = 1; NBI = 0; SYM = 0 cycle structures D(w) kmax CHOOSE ION E2 SYM dbmax dbrms ------------------------------------------------------------------------------ 1 1/1 0.06600826 1 1 0 68 0 2.000 1.160 2 53/115 0.06159974 55 124 0 273 0 0.210 0.062 3 64/962 0.06099412 52 1133 -25 0 0 0.056 0.021 QPNRT(64/962): D(0)=0.06600826; D(w)=0.06099412; dbmax=0.056; dbrms=0.021 Timing(sec): search=35.97; Gram matrix=28.14; minimize=0.56; other=1.32 TOPO matrix for the leading resonance structure: Atom 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 ---- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- 1. C 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2. C 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 3. C 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 4. H 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5. H 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6. H 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7. C 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 8. C 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 9. C 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 10. C 0 0 0 0 0 0 0 0 1 0 1 0 0 0 2 0 0 11. C 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 12. H 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 13. H 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 14. H 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 15. C 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 16. C 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 17. O 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 18. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 19. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 20. H 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 21. H 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 22. H 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 23. H 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 24. H 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 25. H 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 26. H 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 27. H 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Atom 18 19 20 21 22 23 24 25 26 27 ---- --- --- --- --- --- --- --- --- --- --- 1. C 0 0 0 0 0 0 0 1 1 1 2. C 0 0 0 0 0 0 0 0 0 0 3. C 0 0 0 0 0 0 0 0 0 0 4. H 0 0 0 0 0 0 0 0 0 0 5. H 0 0 0 0 0 0 0 0 0 0 6. H 0 0 0 0 0 0 0 0 0 0 7. C 0 0 0 0 0 0 1 0 0 0 8. C 0 0 0 0 1 1 0 0 0 0 9. C 0 0 1 1 0 0 0 0 0 0 10. C 0 0 0 0 0 0 0 0 0 0 11. C 0 0 0 0 0 0 0 0 0 0 12. H 0 0 0 0 0 0 0 0 0 0 13. H 0 0 0 0 0 0 0 0 0 0 14. H 0 0 0 0 0 0 0 0 0 0 15. C 0 1 0 0 0 0 0 0 0 0 16. C 1 0 0 0 0 0 0 0 0 0 17. O 0 0 0 0 0 0 0 0 0 0 18. H 0 0 0 0 0 0 0 0 0 0 19. H 0 0 0 0 0 0 0 0 0 0 20. H 0 0 0 0 0 0 0 0 0 0 21. H 0 0 0 0 0 0 0 0 0 0 22. H 0 0 0 0 0 0 0 0 0 0 23. H 0 0 0 0 0 0 0 0 0 0 24. H 0 0 0 0 0 0 0 0 0 0 25. H 0 0 0 0 0 0 0 0 0 0 26. H 0 0 0 0 0 0 0 0 0 0 27. H 0 0 0 0 0 0 0 0 0 0 Resonance RS Weight(%) Added(Removed) --------------------------------------------------------------------------- 1 22.92 2 5.01 C 10- C 11, ( C 10- C 15), ( C 11- H 13), C 15- C 16, ( C 16- O 17), O 17 3 3.98 ( C 9- C 10), C 10- C 15, ( C 15- C 16), C 16- O 17, C 9, ( O 17) 4 3.94 C 16- O 17, ( C 16- H 18), ( O 17), H 18 5 3.63 ( C 8- C 9), C 9- C 10, ( C 10- C 15), C 15- C 16, ( C 16- O 17), O 17 6 2.68 C 9- C 10, ( C 9- H 20), ( C 10- C 15), C 15- C 16, ( C 16- O 17), O 17 7 2.62 ( C 2- C 7), C 7- C 8, ( C 8- C 9), C 2 8 2.55 C 10- C 11, ( C 10- C 15), ( C 11- H 14), C 15- C 16, ( C 16- O 17), O 17 9 2.04 ( C 8- C 9), C 9- C 10, ( C 10- C 15), C 15- C 16, ( C 16- O 17), C 8 10 1.99 ( C 2- C 7), C 7- C 8, ( C 8- H 22), C 2 11 1.92 ( C 10- C 11), ( C 10- C 15), ( C 15- C 16), C 16- O 17, C 10, C 11, C 15, ( O 17) 12 1.87 C 8- C 9, ( C 8- H 22), ( C 9- H 20), H 20 13 1.81 C 10- C 11, ( C 10- C 15), ( C 11- H 13), C 15- C 16, ( C 16- O 17), H 13 14 1.80 C 8- C 9, ( C 8- H 23), ( C 9- H 21), H 23 15 1.74 C 8- C 9, ( C 8- H 22), ( C 9- H 20), H 22 16 1.73 C 7- C 8, ( C 7- H 24), ( C 8- H 23), H 24 17 1.71 ( C 1- C 2), C 2- C 7, ( C 7- C 8), C 1 18 1.67 ( C 2- C 3), C 2- C 7, ( C 7- H 24), C 3 19 1.59 C 8- C 9, ( C 8- H 23), ( C 9- H 21), H 21 20 1.57 C 2- C 3, ( C 2- C 7), ( C 3- H 6), C 7 21 1.56 C 2- C 3, ( C 2- C 7), ( C 3- H 5), C 7 22 1.56 C 1- C 2, ( C 1- H 26), ( C 2- C 7), C 7 23 1.50 C 1- C 2, ( C 1- H 27), ( C 2- C 7), C 7 24 1.29 ( C 1- C 2), C 2- C 7, ( C 7- C 8), C 8 25 1.23 ( C 10- C 15), C 15- C 16, ( C 16- O 17), C 10 26 1.17 ( C 11- H 12), C 11- O 17, C 16- O 17, ( C 16- H 18), H 12, ( O 17), ( O 17), H 18 27 1.09 C 10- C 11, ( C 10- C 15), ( C 11- H 14), ( C 15- C 16), C 16- O 17, H 14, C 15, ( O 17) 28 1.05 C 1- C 2, ( C 1- H 26), ( C 2- C 7), H 26 29 1.04 C 7- C 8, ( C 7- H 24), ( C 8- H 23), H 23 30 1.01 C 1- C 2, ( C 1- H 27), ( C 2- C 7), H 27 31 1.00 C 2- C 3, ( C 2- C 7), ( C 3- H 5), H 5 32 1.00 C 2- C 3, ( C 2- C 7), ( C 3- H 6), H 6 33 0.99 ( C 1- C 2), C 2- C 3, ( C 3- H 4), H 4 34 0.98 ( C 11- H 12), H 12- O 17, C 16- O 17, ( C 16- H 18), C 11, ( O 17), ( O 17), H 18 35 0.85 ( C 10- C 11), C 10- C 15, ( C 15- C 16), ( C 15- H 19), C 16- O 17, C 15, ( O 17), H 19 36 0.85 C 1- C 2, ( C 1- H 25), ( C 2- C 3), H 25 37 0.85 ( C 2- C 7), ( C 7- C 8), C 7, C 8 38 0.78 ( C 10- C 11), C 10- C 15, ( C 15- H 19), H 19 39 0.77 ( C 2- C 3), ( C 2- C 7), C 2, C 3 40 0.73 ( C 2- C 3), ( C 2- C 7), C 2, C 7 41 0.72 C 15- H 18, ( C 15- H 19), C 16- O 17, ( C 16- H 18), ( O 17), H 19 42 0.71 ( C 2- C 3), C 2- C 7, ( C 7- H 24), H 24 43 0.70 ( C 10- C 11), C 10- C 15, ( C 15- C 16), ( C 15- H 19), C 16- O 17, C 11, C 15, ( O 17) 44 0.69 ( C 10- C 15), C 15- C 16, ( C 16- H 18), C 10, ( O 17), H 18 45 0.63 ( C 10- C 11), C 10- C 15, ( C 15- H 19), C 11 46 0.62 ( C 1- C 2), ( C 2- C 7), C 1, C 2 47 0.56 ( C 7- C 8), C 8- C 9, ( C 9- C 10), ( C 10- C 15), C 15- C 16, ( C 16- O 17), C 10, O 17 48 0.55 ( C 1- C 2), C 2- C 3, ( C 3- H 4), C 1 49 0.52 ( C 10- C 15), C 10, C 15, ( O 17) 50 0.50 ( C 10- C 15), C 15- C 16, ( C 16- H 18), C 10 51 0.48 ( C 9- C 10), C 10- C 15, ( C 15- C 16), C 16 52 0.44 ( C 9- C 10), C 10- C 11, ( C 10- C 15), ( C 11- H 12), C 15- C 16, ( C 16- O 17), C 10, H 12 53 0.39 ( C 2- C 7), ( C 7- C 8), C 2, C 7 54 0.39 C 1- C 2, ( C 1- H 25), ( C 2- C 3), C 3 55 0.37 ( C 11- H 12), H 12- O 17, C 16- O 17, ( C 16- H 18), C 11, ( O 17), ( O 17), H 18 56 0.33 ( C 7- C 8), C 8- C 9, ( C 9- C 10), ( C 10- C 15), C 15- C 16, ( C 16- O 17), C 7, C 10 57 0.29 ( C 8- C 9), C 9- C 10, ( C 10- C 15), C 8 58 0.28 ( C 1- C 2), ( C 2- C 7), C 2, C 7 59 0.25 C 9- C 10, ( C 9- H 21), ( C 10- C 11), ( C 10- C 15), C 15- C 16, ( C 16- O 17), C 10, H 21 60 0.18 ( C 10- C 15), C 16- O 17, ( C 16- H 18), C 10, C 15, ( O 17) 61 0.11 ( C 7- C 8), C 8- C 9, ( C 9- C 10), C 10 others 0.20 --------------------------------------------------------------------------- 100.00 * Total * Natural Bond Order: (total/covalent/ionic) Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C t 0.0288 1.0092 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c --- 0.9632 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i --- 0.0460 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2. C t 1.0092 0.0740 1.0155 0.0000 0.0000 0.0000 1.8688 0.0000 0.0000 c 0.9632 --- 0.9701 0.0000 0.0000 0.0000 1.8125 0.0000 0.0000 i 0.0460 --- 0.0453 0.0000 0.0000 0.0000 0.0562 0.0000 0.0000 3. C t 0.0000 1.0155 0.0283 0.9846 0.9744 0.9744 0.0000 0.0000 0.0000 c 0.0000 0.9701 --- 0.7531 0.7397 0.7405 0.0000 0.0000 0.0000 i 0.0000 0.0453 --- 0.2315 0.2347 0.2338 0.0000 0.0000 0.0000 4. H t 0.0000 0.0000 0.9846 0.0099 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.7531 --- 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.2315 --- 0.0000 0.0000 0.0000 0.0000 0.0000 5. H t 0.0000 0.0000 0.9744 0.0000 0.0100 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.7397 0.0000 --- 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.2347 0.0000 --- 0.0000 0.0000 0.0000 0.0000 6. H t 0.0000 0.0000 0.9744 0.0000 0.0000 0.0100 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.7405 0.0000 0.0000 --- 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.2338 0.0000 0.0000 --- 0.0000 0.0000 0.0000 7. C t 0.0000 1.8688 0.0000 0.0000 0.0000 0.0000 0.0877 1.0214 0.0000 c 0.0000 1.8125 0.0000 0.0000 0.0000 0.0000 --- 0.9856 0.0000 i 0.0000 0.0562 0.0000 0.0000 0.0000 0.0000 --- 0.0357 0.0000 8. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0214 0.0448 0.9941 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9856 --- 0.9828 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0357 --- 0.0113 9. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9941 0.0398 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9828 --- i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0113 --- 10. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0306 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9751 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0555 11. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 16. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. O t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 18. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 19. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9365 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7029 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2335 21. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9636 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7299 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2337 22. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9440 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7107 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2334 0.0000 23. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9384 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7169 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2215 0.0000 24. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9485 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7384 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2101 0.0000 0.0000 25. H t 0.9876 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.7532 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2344 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 26. H t 0.9739 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.7427 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2311 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 27. H t 0.9749 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.7431 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2318 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 8. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 9. C t 1.0306 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.9751 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0555 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10. C t 0.0680 1.0584 0.0000 0.0000 0.0000 1.8148 0.0000 0.0000 0.0000 c --- 0.9583 0.0000 0.0000 0.0000 1.6638 0.0000 0.0000 0.0000 i --- 0.1002 0.0000 0.0000 0.0000 0.1510 0.0000 0.0000 0.0000 11. C t 1.0584 0.0460 0.9703 0.9312 0.9636 0.0000 0.0000 0.0117 0.0000 c 0.9583 --- 0.6953 0.7026 0.7348 0.0000 0.0000 0.0001 0.0000 i 0.1002 --- 0.2750 0.2286 0.2287 0.0000 0.0000 0.0117 0.0000 12. H t 0.0000 0.9703 0.0162 0.0000 0.0000 0.0000 0.0000 0.0135 0.0000 c 0.0000 0.6953 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.2750 --- 0.0000 0.0000 0.0000 0.0000 0.0135 0.0000 13. H t 0.0000 0.9312 0.0000 0.0187 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.7026 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.2286 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 14. H t 0.0000 0.9636 0.0000 0.0000 0.0109 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.7348 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.2287 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 15. C t 1.8148 0.0000 0.0000 0.0000 0.0000 0.0527 1.1290 0.0000 0.0072 c 1.6638 0.0000 0.0000 0.0000 0.0000 --- 0.9918 0.0000 0.0000 i 0.1510 0.0000 0.0000 0.0000 0.0000 --- 0.1372 0.0000 0.0071 16. C t 0.0000 0.0000 0.0000 0.0000 0.0000 1.1290 0.0048 1.9517 0.9145 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.9918 --- 1.2436 0.7514 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.1372 --- 0.7080 0.1631 17. O t 0.0000 0.0117 0.0135 0.0000 0.0000 0.0000 1.9517 1.9486 0.0000 c 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 1.2436 --- 0.0000 i 0.0000 0.0117 0.0135 0.0000 0.0000 0.0000 0.7080 --- 0.0000 18. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0072 0.9145 0.0000 0.0715 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7514 0.0000 --- i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0071 0.1631 0.0000 --- 19. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.9626 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.7396 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.2230 0.0000 0.0000 0.0000 20. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 23. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 25. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 26. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 27. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Atom 19 20 21 22 23 24 25 26 27 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9876 0.9739 0.9749 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7532 0.7427 0.7431 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2344 0.2311 0.2318 2. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.9485 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.7384 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.2101 0.0000 0.0000 0.0000 8. C t 0.0000 0.0000 0.0000 0.9440 0.9384 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.7107 0.7169 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.2334 0.2215 0.0000 0.0000 0.0000 0.0000 9. C t 0.0000 0.9365 0.9636 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.7029 0.7299 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.2335 0.2337 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 11. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. C t 0.9626 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.7396 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2230 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 16. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. O t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 18. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 19. H t 0.0235 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. H t 0.0000 0.0193 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. H t 0.0000 0.0000 0.0184 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22. H t 0.0000 0.0000 0.0000 0.0174 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 23. H t 0.0000 0.0000 0.0000 0.0000 0.0284 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 24. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0244 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 25. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0085 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 26. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0105 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 27. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0101 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- Natural Atomic Valencies and Electron Counts: Co- Electro- Electron Atom Valency Valency Valency Count ---- ------- ------- ------- ------- 1. C 3.9456 3.2021 0.7434 7.9488 2. C 3.8935 3.7459 0.1476 7.9349 3. C 3.9488 3.2034 0.7454 7.9542 4. H 0.9846 0.7531 0.2315 1.9890 5. H 0.9744 0.7397 0.2347 1.9688 6. H 0.9744 0.7405 0.2338 1.9686 7. C 3.8386 3.5366 0.3020 7.8525 8. C 3.8978 3.3960 0.5019 7.8853 9. C 3.9248 3.3907 0.5340 7.9291 10. C 3.9039 3.5972 0.3067 7.9437 11. C 3.9352 3.0911 0.8441 7.9624 12. H 0.9838 0.6954 0.2885 2.0000 13. H 0.9312 0.7026 0.2286 1.8997 14. H 0.9636 0.7348 0.2287 1.9490 15. C 3.9136 3.3953 0.5183 7.9326 16. C 3.9952 2.9869 1.0083 8.0000 17. O 1.9769 1.2438 0.7331 7.8511 18. H 0.9216 0.7514 0.1702 1.9864 19. H 0.9626 0.7396 0.2230 1.9722 20. H 0.9365 0.7029 0.2335 1.9116 21. H 0.9636 0.7299 0.2337 1.9640 22. H 0.9440 0.7107 0.2334 1.9229 23. H 0.9384 0.7169 0.2215 1.9335 24. H 0.9485 0.7384 0.2101 1.9458 25. H 0.9876 0.7532 0.2344 1.9922 26. H 0.9739 0.7427 0.2311 1.9688 27. H 0.9749 0.7431 0.2318 1.9701 $NRTSTR STR ! Wgt=22.92%; rhoNL=0.85735; D(0)=0.06601 LONE 17 2 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=5.01%; rhoNL=2.64385; D(0)=0.11587 LONE 17 3 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 D 10 11 S 10 15 S 11 12 S 11 14 D 15 16 S 15 19 S 16 17 S 16 18 END END STR ! Wgt=3.98%; rhoNL=2.74218; D(0)=0.11800 LONE 9 1 17 1 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 20 S 9 21 S 10 11 T 10 15 S 11 12 S 11 13 S 11 14 S 15 19 T 16 17 S 16 18 END END STR ! Wgt=3.94%; rhoNL=1.95095; D(0)=0.09954 LONE 17 1 18 1 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 T 16 17 END END STR ! Wgt=3.63%; rhoNL=2.84482; D(0)=0.12019 LONE 17 3 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 22 S 8 23 D 9 10 S 9 20 S 9 21 S 10 11 S 10 15 S 11 12 S 11 13 S 11 14 D 15 16 S 15 19 S 16 17 S 16 18 END END STR ! Wgt=2.68%; rhoNL=2.66116; D(0)=0.11625 LONE 17 3 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 D 9 10 S 9 21 S 10 11 S 10 15 S 11 12 S 11 13 S 11 14 D 15 16 S 15 19 S 16 17 S 16 18 END END STR ! Wgt=2.62%; rhoNL=2.62086; D(0)=0.11536 LONE 2 1 17 2 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 S 2 7 S 3 4 S 3 5 S 3 6 D 7 8 S 7 24 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=2.55%; rhoNL=2.68894; D(0)=0.11685 LONE 17 3 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 D 10 11 S 10 15 S 11 12 S 11 13 D 15 16 S 15 19 S 16 17 S 16 18 END END STR ! Wgt=2.04%; rhoNL=3.22557; D(0)=0.12798 LONE 8 1 17 2 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 22 S 8 23 D 9 10 S 9 20 S 9 21 S 10 11 S 10 15 S 11 12 S 11 13 S 11 14 D 15 16 S 15 19 S 16 17 S 16 18 END END STR ! Wgt=1.99%; rhoNL=2.48254; D(0)=0.11228 LONE 2 1 17 2 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 S 2 7 S 3 4 S 3 5 S 3 6 D 7 8 S 7 24 S 8 9 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.92%; rhoNL=3.69327; D(0)=0.13694 LONE 10 1 11 1 15 1 17 1 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 15 S 11 12 S 11 13 S 11 14 S 15 19 T 16 17 S 16 18 END END STR ! Wgt=1.87%; rhoNL=2.71556; D(0)=0.11743 LONE 17 2 20 1 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 D 8 9 S 8 23 S 9 10 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.81%; rhoNL=3.25786; D(0)=0.12862 LONE 13 1 17 2 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 D 10 11 S 10 15 S 11 12 S 11 14 D 15 16 S 15 19 S 16 17 S 16 18 END END STR ! Wgt=1.80%; rhoNL=2.72555; D(0)=0.11764 LONE 17 2 23 1 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 D 8 9 S 8 22 S 9 10 S 9 20 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.74%; rhoNL=2.71166; D(0)=0.11735 LONE 17 2 22 1 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 D 8 9 S 8 23 S 9 10 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.73%; rhoNL=2.71605; D(0)=0.11744 LONE 17 2 24 1 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 D 7 8 S 8 9 S 8 22 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.71%; rhoNL=2.73942; D(0)=0.11794 LONE 1 1 17 2 END BOND S 1 25 S 1 26 S 1 27 S 2 3 T 2 7 S 3 4 S 3 5 S 3 6 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.67%; rhoNL=2.55656; D(0)=0.11394 LONE 3 1 17 2 END BOND S 1 2 S 1 25 S 1 26 S 1 27 T 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.59%; rhoNL=2.73253; D(0)=0.11780 LONE 17 2 21 1 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 D 8 9 S 8 22 S 9 10 S 9 20 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.57%; rhoNL=2.43874; D(0)=0.11129 LONE 7 1 17 2 END BOND S 1 2 S 1 25 S 1 26 S 1 27 D 2 3 S 2 7 S 3 4 S 3 5 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.56%; rhoNL=2.43788; D(0)=0.11127 LONE 7 1 17 2 END BOND S 1 2 S 1 25 S 1 26 S 1 27 D 2 3 S 2 7 S 3 4 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.56%; rhoNL=2.44062; D(0)=0.11133 LONE 7 1 17 2 END BOND D 1 2 S 1 25 S 1 27 S 2 3 S 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.50%; rhoNL=2.44141; D(0)=0.11135 LONE 7 1 17 2 END BOND D 1 2 S 1 25 S 1 26 S 2 3 S 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.29%; rhoNL=2.72109; D(0)=0.11755 LONE 8 1 17 2 END BOND S 1 25 S 1 26 S 1 27 S 2 3 T 2 7 S 3 4 S 3 5 S 3 6 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.23%; rhoNL=2.49255; D(0)=0.11251 LONE 10 1 17 2 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 S 10 15 S 11 12 S 11 13 S 11 14 D 15 16 S 15 19 S 16 17 S 16 18 END END STR ! Wgt=1.17%; rhoNL=3.34516; D(0)=0.13033 LONE 12 1 18 1 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 13 S 11 14 S 11 17 S 15 16 S 15 19 T 16 17 END END STR ! Wgt=1.09%; rhoNL=3.74256; D(0)=0.13785 LONE 14 1 15 1 17 1 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 D 10 11 S 10 15 S 11 12 S 11 13 S 15 19 T 16 17 S 16 18 END END STR ! Wgt=1.05%; rhoNL=2.71768; D(0)=0.11748 LONE 17 2 26 1 END BOND D 1 2 S 1 25 S 1 27 S 2 3 S 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.04%; rhoNL=2.72967; D(0)=0.11773 LONE 17 2 23 1 END BOND S 1 2 S 1 25 S 1 26 S 1 27 S 2 3 D 2 7 S 3 4 S 3 5 S 3 6 D 7 8 S 8 9 S 8 22 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.01%; rhoNL=2.71893; D(0)=0.11750 LONE 17 2 27 1 END BOND D 1 2 S 1 25 S 1 26 S 2 3 S 2 7 S 3 4 S 3 5 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END STR ! Wgt=1.00%; rhoNL=2.71902; D(0)=0.11750 LONE 5 1 17 2 END BOND S 1 2 S 1 25 S 1 26 S 1 27 D 2 3 S 2 7 S 3 4 S 3 6 S 7 8 S 7 24 S 8 9 S 8 22 S 8 23 S 9 10 S 9 20 S 9 21 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 15 16 S 15 19 D 16 17 S 16 18 END END $END NBO analysis completed in 67.42 CPU seconds (68 wall seconds) Maximum scratch memory used by NBO was 58656353 words (447.51 MB) Maximum scratch memory used by G16NBO was 68139 words (0.52 MB) Opening RunExU unformatted file "/scratch/webmo-13362/513792/Gau-19027.EUF" Read unf file /scratch/webmo-13362/513792/Gau-19027.EUF: Label Gaussian matrix elements IVers= 2 NLab= 2 Version=ES64L-G16RevC.01 Title Geranial C10H16O NAtoms= 27 NBasis= 197 NBsUse= 197 ICharg= 0 Multip= 1 NE= 84 Len12L=8 Len4L=8 IOpCl= 0 ICGU=111 GAUSSIAN SCALARS NI= 1 NR= 1 NTot= 1 LenBuf= 2 NRI=1 N= 1000 NPA CHARGES NI= 0 NR= 1 NTot= 27 LenBuf= 4000 NRI=1 N= 27 Recovered energy= -465.889696415 dipole= -1.302065759598 -0.372420715046 0.207426182371 Unable to Open any file for archive entry. 1\1\GINC-COMPUTE-0-7\SP\RB3LYP\6-31G(d)\C10H16O1\ZDANOVSKAIA\23-Aug-20 20\0\\#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivi ty\\Geranial C10H16O\\0,1\C\C,1,1.510792174\C,2,1.509443634,1,114.3175 797\H,3,1.092414164,2,113.5442557,1,179.4381369,0\H,3,1.098862422,2,11 0.6156044,1,-59.27650134,0\H,3,1.098835841,2,110.5329487,1,58.18758794 ,0\C,2,1.342244547,1,120.6248937,3,-179.7723929,0\C,7,1.505096069,2,12 8.6274975,1,-179.6638611,0\C,8,1.553249834,7,111.7832111,2,115.3582361 ,0\C,9,1.511476921,8,113.5321775,7,175.6450345,0\C,10,1.505672332,9,11 6.3350004,8,65.20557094,0\H,11,1.088839027,10,111.8315386,9,166.146976 9,0\H,11,1.099047033,10,110.072401,9,-74.31900594,0\H,11,1.097545442,1 0,110.3041935,9,42.9959985,0\C,10,1.354356238,9,119.7020407,8,-114.329 9217,0\C,15,1.471266601,10,127.7235832,9,-179.7454727,0\O,16,1.2218900 86,15,127.5351182,10,-3.40498297,0\H,16,1.1132476,15,113.1441993,10,17 6.4899406,0\H,15,1.089597803,10,118.2913044,9,-0.85677501,0\H,9,1.0993 48537,8,108.0521127,7,-63.09688848,0\H,9,1.09645696,8,108.9659421,7,52 .68960479,0\H,8,1.099777884,9,108.0558551,10,55.31332276,0\H,8,1.09388 1505,9,109.6261824,10,-60.34727867,0\H,7,1.091894045,8,114.1971949,9,- 63.81815065,0\H,1,1.094489779,2,111.9754783,3,179.9405695,0\H,1,1.0991 67784,2,111.0916306,3,-59.13212897,0\H,1,1.099142362,2,111.0894128,3,5 9.05469162,0\\Version=ES64L-G16RevC.01\State=1-A\HF=-465.8896964\RMSD= 2.408e-09\Dipole=0.350202,-0.0373201,-1.3240332\Quadrupole=6.4989075,2 .2202875,-8.7191951,-0.0767412,2.9565379,-1.0621518\PG=C01 [X(C10H16O1 )]\\@ The archive entry for this job was punched. ALL OUR THINKING ABOUT NATURE MUST NECESSARILY MOVE IN CIRCLES OR SPIRALS; FOR WE CAN ONLY UNDERSTAND NATURE IF WE THINK ABOUT HER, AND WE CAN ONLY THINK BECAUSE OUR BRAIN IS BUILT IN ACCORDANCE WITH NATURE'S LAWS. -- TIMOTHY FERRIS, "GALAXIES" Job cpu time: 0 days 0 hours 17 minutes 2.6 seconds. Elapsed time: 0 days 0 hours 1 minutes 31.2 seconds. File lengths (MBytes): RWF= 24 Int= 0 D2E= 0 Chk= 3 Scr= 1 Normal termination of Gaussian 16 at Sun Aug 23 17:00:04 2020.