Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16 Initial command: /share/apps/gaussian/g16/l1.exe "/scratch/webmo-13362/513796/Gau-19207.inp" -scrdir="/scratch/webmo-13362/513796/" Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID= 19208. 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; ------------------------ t-c pseudoionone C13H20O ------------------------ Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C C 1 B1 C 2 B2 1 A1 C 3 B3 2 A2 1 D1 0 C 4 B4 3 A3 2 D2 0 C 5 B5 4 A4 3 D3 0 C 6 B6 5 A5 4 D4 0 C 7 B7 6 A6 5 D5 0 C 8 B8 7 A7 6 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 O 10 B14 9 A13 8 D12 0 H 9 B15 8 A14 7 D13 0 H 8 B16 7 A15 6 D14 0 H 7 B17 6 A16 5 D15 0 C 6 B18 5 A17 4 D16 0 H 19 B19 6 A18 5 D17 0 H 19 B20 6 A19 5 D18 0 H 19 B21 6 A20 5 D19 0 H 5 B22 4 A21 3 D20 0 H 5 B23 4 A22 3 D21 0 H 4 B24 3 A23 2 D22 0 H 4 B25 3 A24 2 D23 0 H 3 B26 2 A25 1 D24 0 C 2 B27 1 A26 3 D25 0 H 28 B28 2 A27 1 D26 0 H 28 B29 2 A28 1 D27 0 H 28 B30 2 A29 1 D28 0 H 1 B31 2 A30 3 D29 0 H 1 B32 2 A31 3 D30 0 H 1 B33 2 A32 3 D31 0 Variables: B1 1.51088 B2 1.34224 B3 1.50498 B4 1.55423 B5 1.51264 B6 1.35689 B7 1.44581 B8 1.35897 B9 1.47874 B10 1.52371 B11 1.09156 B12 1.09758 B13 1.09758 B14 1.227 B15 1.0884 B16 1.08887 B17 1.08483 B18 1.50743 B19 1.09167 B20 1.09793 B21 1.0986 B22 1.09943 B23 1.09614 B24 1.09943 B25 1.09452 B26 1.09186 B27 1.50958 B28 1.09247 B29 1.09901 B30 1.09896 B31 1.09447 B32 1.0993 B33 1.09928 A1 120.65524 A2 128.75447 A3 111.86799 A4 113.67164 A5 119.37409 A6 125.92659 A7 127.24966 A8 127.06954 A9 115.41269 A10 109.60875 A11 110.63506 A12 110.62707 A13 124.15521 A14 117.57527 A15 117.00712 A16 118.61741 A17 115.43547 A18 113.78298 A19 110.92598 A20 110.11169 A21 108.11002 A22 108.60676 A23 109.3205 A24 111.28296 A25 117.1457 A26 114.29654 A27 113.48378 A28 110.65513 A29 110.56529 A30 111.94439 A31 111.11782 A32 111.12331 D1 -179.60676 D2 115.85506 D3 176.08859 D4 -106.22633 D5 178.89411 D6 -179.62765 D7 0.07091 D8 -179.88219 D9 -179.97812 D10 -59.12282 D11 59.17759 D12 0.10586 D13 -179.93837 D14 0.35866 D15 -1.07552 D16 73.35258 D17 178.88438 D18 -59.69571 D19 57.71398 D20 -61.70972 D21 53.91711 D22 -124.74232 D23 -7.40963 D24 -0.53293 D25 179.76993 D26 179.31756 D27 -59.41338 D28 58.0846 D29 0.15663 D30 121.06297 D31 -120.72157 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 1.510883 3 6 0 1.154659 0.000000 2.195249 4 6 0 1.366706 -0.008055 3.685191 5 6 0 2.075556 -1.306428 4.162032 6 6 0 2.393432 -1.316761 5.640861 7 6 0 3.677223 -1.148885 6.046866 8 6 0 4.135558 -1.112267 7.417620 9 6 0 5.410779 -0.939048 7.854216 10 6 0 6.619016 -0.747168 7.023540 11 6 0 7.922716 -0.580179 7.794364 12 1 0 8.748260 -0.445465 7.093053 13 1 0 7.866946 0.286477 8.465544 14 1 0 8.115622 -1.459102 8.422832 15 8 0 6.614249 -0.718591 5.796885 16 1 0 5.579524 -0.938667 8.929452 17 1 0 3.382490 -1.236177 8.194266 18 1 0 4.448800 -1.028514 5.293850 19 6 0 1.211142 -1.509786 6.555882 20 1 0 1.473436 -1.532150 7.615336 21 1 0 0.471473 -0.710771 6.414736 22 1 0 0.697990 -2.451229 6.316563 23 1 0 1.428510 -2.159933 3.913829 24 1 0 3.000868 -1.430841 3.587717 25 1 0 2.000335 0.845065 3.967044 26 1 0 0.420964 0.116995 4.221754 27 1 0 2.078574 -0.009037 1.613473 28 6 0 -1.375865 0.005525 2.132015 29 1 0 -1.360446 -0.006472 3.224310 30 1 0 -1.940943 0.893082 1.814596 31 1 0 -1.955029 -0.865541 1.795073 32 1 0 1.015171 -0.002775 -0.409011 33 1 0 -0.529121 -0.878418 -0.396062 34 1 0 -0.523851 0.881510 -0.396155 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.510883 0.000000 3 C 2.480395 1.342235 0.000000 4 C 3.930469 2.568184 1.504977 0.000000 5 C 4.830859 3.611548 2.534372 1.554226 0.000000 6 C 6.267511 4.951677 3.891100 2.567396 1.512643 7 C 7.169832 5.951223 4.745336 3.495353 2.478459 8 C 8.565108 7.295857 6.115232 4.776699 3.857481 9 C 9.583687 8.390246 7.142848 5.882350 4.989079 10 C 9.679863 8.646330 7.330065 6.267186 5.398521 11 C 11.129158 10.128582 8.803027 7.758473 6.921745 12 H 11.271286 10.387065 9.047082 8.142002 7.338741 13 H 11.560119 10.504200 9.189856 8.074134 7.389030 14 H 11.787129 10.759523 9.453400 8.372493 7.393248 15 O 8.824315 7.914195 6.579914 5.700949 4.859839 16 H 10.571059 9.329917 8.112337 6.790887 5.928012 17 H 8.950718 7.591902 6.517634 5.089540 4.239330 18 H 6.991030 5.929629 4.637944 3.623316 2.643961 19 C 6.835635 5.403548 4.614950 3.243495 2.553249 20 H 7.906443 6.463966 5.641493 4.216669 3.512664 21 H 6.471191 4.977475 4.333128 2.957307 2.828880 22 H 6.811365 5.439695 4.816877 3.652451 2.801832 23 H 4.692974 3.532719 2.773774 2.164872 1.099428 24 H 4.891240 3.919918 2.719331 2.168942 1.096139 25 H 4.522490 3.278446 2.137419 1.099428 2.161620 26 H 4.244303 2.745855 2.158406 1.094516 2.183432 27 H 2.631320 2.081124 1.091863 2.190610 2.859788 28 C 2.537424 1.509583 2.531320 3.151862 4.213609 29 H 3.499576 2.187850 2.717491 2.765822 3.791479 30 H 2.803144 2.158031 3.244264 3.905345 5.145927 31 H 2.791700 2.156864 3.252609 3.916855 4.694943 32 H 1.094472 2.171767 2.607995 4.109270 4.870151 33 H 1.099296 2.165185 3.212729 4.583483 5.267234 34 H 1.099281 2.165242 3.210893 4.585075 5.685161 6 7 8 9 10 6 C 0.000000 7 C 1.356887 0.000000 8 C 2.496737 1.445814 0.000000 9 C 3.761115 2.513118 1.358974 0.000000 10 C 4.482387 3.125606 2.540897 1.478741 0.000000 11 C 5.979390 4.626163 3.842866 2.538148 1.523709 12 H 6.576614 5.225392 4.671936 3.458579 2.151636 13 H 6.364633 5.046191 4.120423 2.812186 2.169131 14 H 6.364203 5.043891 4.119666 2.812464 2.169032 15 O 4.265846 2.978886 2.987586 2.393648 1.226997 16 H 4.594449 3.460093 2.097810 1.088396 2.179383 17 H 2.739453 2.169289 1.088873 2.077950 3.476324 18 H 2.104290 1.084829 2.148380 2.736583 2.789413 19 C 1.507426 2.543797 3.074545 4.432648 5.481368 20 H 2.188912 2.731972 2.702275 3.988923 5.238646 21 H 2.158711 3.256394 3.820013 5.149850 6.177722 22 H 2.148980 3.262617 3.849938 5.182804 6.201789 23 H 2.150501 3.260180 4.549974 5.733731 6.213498 24 H 2.144154 2.566003 4.007140 4.924688 5.036197 25 H 2.762188 3.333684 4.505197 5.470310 5.762776 26 H 2.821374 3.941663 5.052015 6.261650 6.856575 27 H 4.246073 4.848702 6.255912 7.135502 7.101357 28 C 5.316770 6.495569 7.717699 8.927169 9.402749 29 H 4.652760 5.886428 7.000907 8.255617 8.868742 30 H 6.189549 7.324311 8.505244 9.689248 10.153640 31 H 5.822611 7.062598 8.292718 9.538016 10.043163 32 H 6.342486 7.076612 8.498468 9.406323 9.338095 33 H 6.721451 7.699208 9.103162 10.166277 10.303571 34 H 7.056097 7.955127 9.313449 10.324868 10.427129 11 12 13 14 15 11 C 0.000000 12 H 1.091562 0.000000 13 H 1.097582 1.787788 0.000000 14 H 1.097584 1.787738 1.763721 0.000000 15 O 2.391896 2.511703 3.114667 3.114174 0.000000 16 H 2.628209 3.695469 2.635998 2.638050 3.306367 17 H 4.604770 5.534382 4.743671 4.743888 4.057043 18 H 4.303681 4.697067 4.844850 4.839579 2.244609 19 C 6.887905 7.630825 7.153538 7.152616 5.513224 20 H 6.521619 7.374058 6.701285 6.691488 5.513311 21 H 7.579014 8.308772 7.739078 7.938857 6.173775 22 H 7.607982 8.332639 7.969133 7.774442 6.186617 23 H 7.728446 8.162451 8.255694 8.095661 5.702215 24 H 6.530245 6.803739 7.100781 7.038455 4.294676 25 H 7.194046 7.547972 7.413882 7.909486 5.203992 26 H 8.338218 8.826357 8.572113 8.907351 6.444844 27 H 8.525469 8.642973 8.974601 9.214988 6.211019 28 C 10.902700 11.283315 11.208126 11.480760 8.820291 29 H 10.362993 10.832627 10.616078 10.905532 8.409578 30 H 11.628409 11.996369 11.865823 12.261160 9.573266 31 H 11.560397 11.950124 11.928685 12.070523 9.458785 32 H 10.739784 10.783210 11.215535 11.425356 8.388994 33 H 11.773087 11.930804 12.262911 12.362915 9.455468 34 H 11.856038 11.992545 12.218398 12.565568 9.584703 16 17 18 19 20 16 H 0.000000 17 H 2.335802 0.000000 18 H 3.808440 3.097185 0.000000 19 C 5.004276 2.733846 3.508102 0.000000 20 H 4.351906 2.016741 3.807327 1.091669 0.000000 21 H 5.698063 3.452071 4.144451 1.097933 1.766362 22 H 5.739722 3.494089 4.139884 1.098596 1.769981 23 H 6.624113 4.795154 3.508093 2.729539 3.754635 24 H 5.951961 4.626427 2.273601 3.466895 4.308716 25 H 6.373208 4.910328 3.356440 3.587510 4.386207 26 H 7.063114 5.136395 4.322619 2.952787 3.917113 27 H 8.163603 6.820037 4.494716 5.237566 6.221610 28 C 9.771084 7.806065 6.707694 5.344097 6.367871 29 H 9.032210 6.979117 6.250991 4.469048 5.444235 30 H 10.513511 8.577463 7.525061 6.179742 7.154602 31 H 10.376618 8.341232 7.299111 5.753694 6.787798 32 H 10.436288 9.007877 6.735323 7.128760 8.181635 33 H 11.148291 9.445762 7.561568 7.194210 8.283725 34 H 11.292970 9.671578 7.794331 7.553761 8.602261 21 22 23 24 25 21 H 0.000000 22 H 1.757880 0.000000 23 H 3.044753 2.528170 0.000000 24 H 3.861137 3.713630 1.763586 0.000000 25 H 3.278603 4.252282 3.059383 2.514897 0.000000 26 H 2.344550 3.325770 2.508858 3.074688 1.757662 27 H 5.111490 5.476256 3.215676 2.601882 2.504977 28 C 4.718839 5.277022 3.965928 4.830943 3.933305 29 H 3.745768 4.447024 3.590418 4.602385 3.545648 30 H 5.436302 6.198072 5.008083 5.741609 4.490993 31 H 5.220455 5.476933 4.196775 5.300383 4.825820 32 H 6.881888 7.164418 4.848828 4.685745 4.565002 33 H 6.885946 7.002776 4.904056 5.351307 5.329656 34 H 7.065002 7.593460 5.624771 5.800159 5.040868 26 27 28 29 30 26 H 0.000000 27 H 3.093006 0.000000 28 C 2.758266 3.493171 0.000000 29 H 2.045375 3.797586 1.092470 0.000000 30 H 3.460539 4.124414 1.099012 1.770160 0.000000 31 H 3.535463 4.127533 1.098961 1.770381 1.758788 32 H 4.670269 2.285018 3.489116 4.341036 3.805995 33 H 4.818478 3.405015 2.808825 3.815558 3.165196 34 H 4.775169 3.406508 2.808010 3.820493 2.625967 31 32 33 34 31 H 0.000000 32 H 3.797952 0.000000 33 H 2.614279 1.775318 0.000000 34 H 3.146734 1.775025 1.759935 0.000000 Stoichiometry C13H20O Framework group C1[X(C13H20O)] Deg. of freedom 96 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 -5.361150 -1.699106 0.247030 2 6 0 -4.367936 -0.624818 -0.130061 3 6 0 -3.053519 -0.893054 -0.174250 4 6 0 -1.914618 0.029807 -0.515112 5 6 0 -0.959805 0.241679 0.692804 6 6 0 0.251223 1.088044 0.368512 7 6 0 1.465036 0.493992 0.246440 8 6 0 2.706185 1.159531 -0.080648 9 6 0 3.933236 0.591449 -0.216435 10 6 0 4.275473 -0.838747 -0.061232 11 6 0 5.744091 -1.186186 -0.271320 12 1 0 5.889704 -2.259416 -0.135369 13 1 0 6.069718 -0.896923 -1.278782 14 1 0 6.376541 -0.637830 0.438612 15 8 0 3.463099 -1.715224 0.216903 16 1 0 4.766380 1.245564 -0.466658 17 1 0 2.663439 2.236148 -0.237849 18 1 0 1.537474 -0.577007 0.403178 19 6 0 -0.016044 2.561547 0.196205 20 1 0 0.878707 3.149174 -0.017937 21 1 0 -0.730714 2.737825 -0.618430 22 1 0 -0.477377 2.970644 1.105449 23 1 0 -1.534721 0.709218 1.504975 24 1 0 -0.633933 -0.739372 1.057312 25 1 0 -1.327594 -0.404935 -1.336783 26 1 0 -2.280658 0.997205 -0.873051 27 1 0 -2.743427 -1.908374 0.080961 28 6 0 -4.990248 0.714851 -0.441275 29 1 0 -4.259635 1.484536 -0.700661 30 1 0 -5.697616 0.628729 -1.277959 31 1 0 -5.571177 1.079465 0.417383 32 1 0 -4.869694 -2.652863 0.463104 33 1 0 -5.942848 -1.407340 1.133005 34 1 0 -6.088894 -1.866598 -0.559663 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4951087 0.2004589 0.1807729 Standard basis: 6-31G(d) (6D, 7F) AO basis set in the form of general basis input (Overlap normalization): 1 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 2 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 3 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 4 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 5 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 6 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 7 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 8 0 S 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 0.5484671660D+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 **** 16 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 **** 17 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 **** 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 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 **** 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 **** 28 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 29 0 S 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 **** 30 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 31 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 32 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 33 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 34 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** There are 250 symmetry adapted cartesian basis functions of A symmetry. There are 250 symmetry adapted basis functions of A symmetry. 250 basis functions, 472 primitive gaussians, 250 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 809.3607482760 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 250 RedAO= T EigKep= 1.51D-03 NBF= 250 NBsUse= 250 1.00D-06 EigRej= -1.00D+00 NBFU= 250 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) = -582.617219124 A.U. after 15 cycles NFock= 15 Conv=0.34D-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) (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) (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 -- -19.12076 -10.26312 -10.20674 -10.20550 -10.18964 Alpha occ. eigenvalues -- -10.18933 -10.18696 -10.18677 -10.18549 -10.17996 Alpha occ. eigenvalues -- -10.17949 -10.17834 -10.17703 -10.17480 -1.01806 Alpha occ. eigenvalues -- -0.83029 -0.80870 -0.78456 -0.74993 -0.73212 Alpha occ. eigenvalues -- -0.69215 -0.68971 -0.67445 -0.62242 -0.59400 Alpha occ. eigenvalues -- -0.53583 -0.51615 -0.50526 -0.48135 -0.46481 Alpha occ. eigenvalues -- -0.45309 -0.44102 -0.43403 -0.42999 -0.42935 Alpha occ. eigenvalues -- -0.41933 -0.41258 -0.40074 -0.38522 -0.38275 Alpha occ. eigenvalues -- -0.37628 -0.37284 -0.37057 -0.36663 -0.36133 Alpha occ. eigenvalues -- -0.35266 -0.34339 -0.33253 -0.31949 -0.30483 Alpha occ. eigenvalues -- -0.23339 -0.23176 -0.21984 Alpha virt. eigenvalues -- -0.06085 0.02810 0.03628 0.08157 0.09726 Alpha virt. eigenvalues -- 0.09910 0.10706 0.11854 0.12037 0.13355 Alpha virt. eigenvalues -- 0.14451 0.15165 0.16279 0.16310 0.16576 Alpha virt. eigenvalues -- 0.17010 0.17597 0.17936 0.18623 0.19229 Alpha virt. eigenvalues -- 0.20384 0.21638 0.22369 0.23127 0.23640 Alpha virt. eigenvalues -- 0.24534 0.25485 0.25664 0.26678 0.28148 Alpha virt. eigenvalues -- 0.31252 0.34197 0.36457 0.38598 0.41856 Alpha virt. eigenvalues -- 0.45307 0.45487 0.48424 0.49989 0.51442 Alpha virt. eigenvalues -- 0.51991 0.52843 0.53821 0.54875 0.55937 Alpha virt. eigenvalues -- 0.56174 0.57561 0.58470 0.58955 0.59473 Alpha virt. eigenvalues -- 0.59875 0.61230 0.63765 0.63936 0.64818 Alpha virt. eigenvalues -- 0.65720 0.67278 0.68930 0.69443 0.70067 Alpha virt. eigenvalues -- 0.71423 0.73180 0.73572 0.73806 0.74570 Alpha virt. eigenvalues -- 0.74725 0.77782 0.78686 0.80679 0.82522 Alpha virt. eigenvalues -- 0.83094 0.83328 0.84063 0.86115 0.86556 Alpha virt. eigenvalues -- 0.87519 0.87805 0.89188 0.89771 0.90098 Alpha virt. eigenvalues -- 0.90647 0.91605 0.92044 0.93030 0.94245 Alpha virt. eigenvalues -- 0.94671 0.95165 0.95930 0.96426 0.97787 Alpha virt. eigenvalues -- 0.98817 1.00298 1.02127 1.03263 1.03671 Alpha virt. eigenvalues -- 1.05137 1.08540 1.11888 1.14590 1.17919 Alpha virt. eigenvalues -- 1.20171 1.22297 1.23127 1.28372 1.30766 Alpha virt. eigenvalues -- 1.34447 1.36087 1.38794 1.39187 1.40006 Alpha virt. eigenvalues -- 1.40436 1.42891 1.44251 1.46942 1.47848 Alpha virt. eigenvalues -- 1.50437 1.51956 1.54351 1.56615 1.62265 Alpha virt. eigenvalues -- 1.68100 1.71272 1.73191 1.74908 1.80416 Alpha virt. eigenvalues -- 1.80984 1.82104 1.83890 1.84937 1.85027 Alpha virt. eigenvalues -- 1.85797 1.87011 1.89535 1.90779 1.91521 Alpha virt. eigenvalues -- 1.93198 1.94060 1.96117 1.98422 1.99578 Alpha virt. eigenvalues -- 1.99979 2.02227 2.04545 2.05516 2.06912 Alpha virt. eigenvalues -- 2.08682 2.11706 2.13243 2.13919 2.14982 Alpha virt. eigenvalues -- 2.20051 2.21700 2.22553 2.26955 2.27836 Alpha virt. eigenvalues -- 2.29946 2.30528 2.34355 2.35753 2.38065 Alpha virt. eigenvalues -- 2.38827 2.41765 2.42277 2.43487 2.46730 Alpha virt. eigenvalues -- 2.48368 2.49638 2.51978 2.53445 2.56531 Alpha virt. eigenvalues -- 2.60913 2.62452 2.66668 2.69381 2.73505 Alpha virt. eigenvalues -- 2.82798 2.87454 2.90256 2.91616 2.98404 Alpha virt. eigenvalues -- 3.06238 3.10898 3.23856 3.98860 4.08620 Alpha virt. eigenvalues -- 4.10923 4.15343 4.22267 4.23107 4.24688 Alpha virt. eigenvalues -- 4.28590 4.31630 4.35237 4.48795 4.51388 Alpha virt. eigenvalues -- 4.57143 4.61992 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.12076 -10.26312 -10.20674 -10.20550 -10.18964 1 1 C 1S 0.00000 -0.00000 -0.00001 0.00000 0.00954 2 2S 0.00000 -0.00000 -0.00001 0.00000 0.00037 3 2PX -0.00000 -0.00000 -0.00002 -0.00000 -0.00022 4 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00014 5 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00006 6 3S -0.00003 -0.00001 -0.00022 -0.00004 0.00282 7 3PX 0.00000 -0.00000 0.00001 -0.00001 0.00149 8 3PY -0.00002 0.00000 -0.00009 -0.00001 0.00067 9 3PZ 0.00000 -0.00000 0.00005 0.00000 -0.00031 10 4XX 0.00000 0.00000 0.00000 0.00000 -0.00033 11 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00042 12 4ZZ 0.00000 -0.00000 -0.00002 0.00000 -0.00015 13 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00021 14 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00008 15 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00011 16 2 C 1S 0.00000 0.00000 0.00003 0.00000 0.99236 17 2S 0.00001 0.00000 0.00008 0.00000 0.04926 18 2PX 0.00000 0.00000 -0.00002 0.00000 -0.00011 19 2PY 0.00000 0.00000 0.00004 0.00000 0.00002 20 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 21 3S -0.00011 0.00001 -0.00086 0.00004 -0.01687 22 3PX -0.00009 0.00000 -0.00033 -0.00002 -0.00143 23 3PY -0.00001 -0.00003 -0.00076 -0.00004 0.00016 24 3PZ 0.00001 -0.00000 0.00021 0.00000 0.00010 25 4XX -0.00000 0.00000 -0.00001 0.00000 -0.00889 26 4YY 0.00000 0.00000 0.00000 0.00000 -0.00919 27 4ZZ 0.00000 0.00000 0.00002 0.00000 -0.00932 28 4XY 0.00000 -0.00000 -0.00001 0.00000 -0.00011 29 4XZ -0.00000 -0.00000 0.00000 -0.00000 -0.00001 30 4YZ 0.00000 0.00000 0.00001 0.00000 -0.00003 31 3 C 1S -0.00000 -0.00000 -0.00011 -0.00001 0.02719 32 2S -0.00002 -0.00001 -0.00026 -0.00001 0.00070 33 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00037 34 2PY -0.00000 0.00000 -0.00006 0.00000 -0.00012 35 2PZ -0.00000 -0.00000 0.00001 -0.00000 0.00000 36 3S 0.00016 0.00008 0.00227 0.00009 0.00620 37 3PX -0.00006 0.00007 0.00054 0.00008 -0.00276 38 3PY 0.00004 0.00003 0.00140 -0.00002 0.00104 39 3PZ 0.00000 0.00001 -0.00042 0.00002 -0.00006 40 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00058 41 4YY -0.00001 -0.00000 -0.00004 -0.00001 -0.00049 42 4ZZ -0.00001 -0.00001 -0.00009 -0.00001 -0.00044 43 4XY -0.00000 0.00000 0.00005 0.00000 0.00001 44 4XZ -0.00000 0.00000 -0.00002 -0.00000 0.00001 45 4YZ 0.00000 0.00000 -0.00004 0.00000 0.00002 46 4 C 1S -0.00000 0.00000 -0.00023 0.00001 0.00058 47 2S -0.00000 0.00002 -0.00026 0.00003 0.00001 48 2PX 0.00000 -0.00000 -0.00018 0.00001 0.00005 49 2PY -0.00000 -0.00000 -0.00010 -0.00001 0.00005 50 2PZ -0.00000 -0.00000 0.00001 -0.00000 -0.00002 51 3S 0.00003 -0.00016 0.00057 -0.00021 -0.00044 52 3PX 0.00001 -0.00001 0.00205 -0.00013 0.00043 53 3PY 0.00002 0.00002 0.00125 0.00008 -0.00027 54 3PZ 0.00004 -0.00005 0.00014 -0.00001 0.00009 55 4XX -0.00001 -0.00000 -0.00012 -0.00001 -0.00002 56 4YY -0.00001 0.00000 -0.00014 0.00001 0.00002 57 4ZZ 0.00000 0.00000 -0.00005 0.00001 -0.00003 58 4XY -0.00000 -0.00000 -0.00004 -0.00000 -0.00000 59 4XZ -0.00000 -0.00000 0.00008 -0.00000 -0.00000 60 4YZ 0.00000 -0.00000 0.00006 -0.00000 -0.00001 61 5 C 1S 0.00001 -0.00001 0.00618 -0.00005 0.00026 62 2S 0.00002 -0.00005 0.00040 -0.00009 0.00005 63 2PX 0.00002 -0.00001 -0.00016 -0.00003 -0.00001 64 2PY -0.00000 0.00000 -0.00007 -0.00000 -0.00000 65 2PZ 0.00000 0.00000 -0.00000 0.00002 0.00001 66 3S 0.00004 0.00042 0.00180 0.00031 -0.00032 67 3PX 0.00020 0.00012 0.00180 0.00025 0.00000 68 3PY 0.00001 0.00019 0.00048 0.00005 0.00004 69 3PZ -0.00005 -0.00011 0.00071 -0.00020 -0.00006 70 4XX 0.00004 -0.00001 -0.00029 0.00000 0.00002 71 4YY 0.00000 -0.00000 -0.00019 -0.00002 0.00003 72 4ZZ 0.00002 -0.00001 -0.00014 -0.00003 0.00002 73 4XY 0.00000 0.00001 -0.00021 0.00000 -0.00000 74 4XZ -0.00000 -0.00000 0.00002 -0.00000 0.00001 75 4YZ -0.00000 -0.00000 0.00009 -0.00001 -0.00001 76 6 C 1S 0.00001 -0.00001 0.99280 -0.00158 -0.00001 77 2S 0.00007 -0.00004 0.04948 -0.00011 0.00001 78 2PX -0.00001 -0.00001 -0.00016 0.00000 -0.00000 79 2PY -0.00002 -0.00001 0.00003 -0.00001 -0.00001 80 2PZ 0.00000 0.00001 -0.00009 0.00001 -0.00001 81 3S -0.00082 0.00039 -0.01804 -0.00006 -0.00003 82 3PX -0.00042 0.00071 -0.00108 0.00013 -0.00004 83 3PY 0.00101 -0.00004 0.00048 -0.00039 0.00009 84 3PZ -0.00008 -0.00010 0.00039 0.00005 0.00006 85 4XX -0.00002 0.00002 -0.00888 0.00007 0.00000 86 4YY 0.00001 -0.00001 -0.00901 0.00006 0.00001 87 4ZZ 0.00003 -0.00002 -0.00921 0.00001 0.00001 88 4XY 0.00003 -0.00003 -0.00018 -0.00004 -0.00000 89 4XZ 0.00000 -0.00001 -0.00003 -0.00001 -0.00000 90 4YZ -0.00000 0.00000 0.00001 -0.00001 -0.00000 91 7 C 1S -0.00002 -0.00002 0.01261 0.00673 -0.00000 92 2S -0.00009 0.00001 -0.00005 -0.00002 -0.00001 93 2PX 0.00005 -0.00004 0.00038 -0.00030 -0.00001 94 2PY 0.00005 0.00003 -0.00021 -0.00018 0.00000 95 2PZ -0.00002 0.00000 -0.00002 0.00008 -0.00000 96 3S 0.00093 -0.00003 0.00694 0.00519 0.00014 97 3PX -0.00118 0.00060 -0.00262 0.00291 -0.00001 98 3PY -0.00088 -0.00030 0.00170 0.00065 -0.00002 99 3PZ 0.00035 -0.00006 0.00005 -0.00062 -0.00001 100 4XX 0.00001 -0.00007 -0.00047 -0.00046 0.00000 101 4YY -0.00000 -0.00002 -0.00040 -0.00039 -0.00000 102 4ZZ -0.00002 -0.00003 -0.00033 -0.00024 -0.00000 103 4XY -0.00006 0.00004 0.00004 -0.00016 0.00000 104 4XZ 0.00000 0.00000 0.00005 0.00007 0.00000 105 4YZ 0.00001 -0.00001 -0.00001 0.00006 -0.00000 106 8 C 1S -0.00000 0.00000 0.00150 0.99263 -0.00000 107 2S -0.00003 -0.00009 0.00004 0.04949 0.00000 108 2PX -0.00006 0.00004 0.00003 0.00000 0.00000 109 2PY 0.00003 -0.00002 -0.00001 -0.00011 -0.00000 110 2PZ 0.00001 -0.00000 -0.00001 0.00002 0.00000 111 3S -0.00092 0.00196 -0.00073 -0.01727 -0.00005 112 3PX -0.00136 0.00131 0.00044 -0.00018 0.00001 113 3PY 0.00001 -0.00013 0.00006 0.00271 0.00003 114 3PZ 0.00025 -0.00022 -0.00004 -0.00038 -0.00001 115 4XX -0.00002 0.00013 0.00003 -0.00904 -0.00000 116 4YY 0.00002 0.00003 0.00003 -0.00931 0.00000 117 4ZZ -0.00001 -0.00002 -0.00002 -0.00949 0.00000 118 4XY 0.00004 -0.00005 0.00002 -0.00004 -0.00000 119 4XZ -0.00000 -0.00002 -0.00002 -0.00009 0.00000 120 4YZ -0.00001 0.00000 -0.00002 -0.00003 -0.00000 121 9 C 1S -0.00001 0.00180 -0.00002 0.01766 -0.00000 122 2S -0.00003 -0.00005 -0.00008 0.00022 -0.00000 123 2PX 0.00008 -0.00014 0.00002 0.00039 -0.00000 124 2PY -0.00002 0.00028 0.00002 -0.00012 0.00000 125 2PZ -0.00001 -0.00002 -0.00001 -0.00005 -0.00000 126 3S 0.00023 0.00382 0.00034 0.00673 0.00004 127 3PX -0.00225 0.00366 -0.00025 -0.00295 -0.00002 128 3PY 0.00083 -0.00252 -0.00037 -0.00038 -0.00002 129 3PZ 0.00028 -0.00028 0.00009 0.00059 0.00001 130 4XX 0.00001 -0.00024 0.00001 -0.00048 0.00000 131 4YY -0.00003 -0.00055 -0.00002 -0.00048 -0.00000 132 4ZZ -0.00003 -0.00014 -0.00003 -0.00037 -0.00000 133 4XY -0.00006 0.00010 0.00000 0.00010 -0.00000 134 4XZ 0.00000 0.00001 -0.00001 0.00001 -0.00000 135 4YZ 0.00001 0.00006 -0.00000 0.00000 -0.00000 136 10 C 1S -0.00003 0.99296 0.00001 -0.00003 0.00000 137 2S 0.00037 0.04887 0.00001 0.00003 0.00000 138 2PX -0.00005 -0.00044 0.00004 0.00006 -0.00000 139 2PY -0.00003 -0.00054 -0.00001 -0.00005 -0.00000 140 2PZ 0.00001 0.00016 -0.00001 -0.00000 0.00000 141 3S -0.00231 -0.01115 -0.00047 -0.00159 -0.00002 142 3PX 0.00348 -0.00491 -0.00007 0.00018 0.00001 143 3PY 0.00327 -0.00463 -0.00012 -0.00065 -0.00002 144 3PZ -0.00112 0.00158 0.00004 0.00006 0.00000 145 4XX -0.00045 -0.00877 -0.00003 0.00001 -0.00000 146 4YY -0.00045 -0.00860 0.00001 0.00004 0.00000 147 4ZZ -0.00013 -0.00933 -0.00001 0.00001 0.00000 148 4XY -0.00043 0.00060 0.00002 0.00002 0.00000 149 4XZ 0.00014 -0.00022 0.00000 -0.00000 -0.00000 150 4YZ 0.00014 -0.00025 -0.00001 -0.00001 -0.00000 151 11 C 1S 0.00000 0.00125 -0.00001 -0.00004 -0.00000 152 2S 0.00008 -0.00009 -0.00004 -0.00010 -0.00000 153 2PX 0.00004 0.00019 -0.00001 -0.00002 0.00000 154 2PY -0.00002 0.00008 0.00000 -0.00002 0.00000 155 2PZ -0.00000 -0.00005 0.00000 0.00001 0.00000 156 3S -0.00106 0.00453 0.00023 0.00050 -0.00000 157 3PX 0.00035 -0.00207 -0.00009 -0.00015 0.00000 158 3PY -0.00077 0.00112 0.00006 0.00039 0.00000 159 3PZ 0.00005 0.00020 0.00000 -0.00003 -0.00000 160 4XX -0.00004 -0.00047 0.00001 -0.00001 -0.00000 161 4YY -0.00003 -0.00011 -0.00001 -0.00002 -0.00000 162 4ZZ -0.00002 -0.00004 -0.00001 -0.00002 -0.00000 163 4XY 0.00004 -0.00007 -0.00001 -0.00004 -0.00000 164 4XZ -0.00000 0.00010 -0.00000 0.00001 0.00000 165 4YZ -0.00001 0.00003 0.00000 0.00001 0.00000 166 12 H 1S 0.00003 -0.00009 -0.00001 0.00001 0.00000 167 2S -0.00028 0.00006 0.00000 0.00010 0.00000 168 13 H 1S 0.00002 -0.00018 -0.00001 -0.00005 -0.00000 169 2S 0.00011 0.00018 -0.00002 -0.00007 -0.00000 170 14 H 1S 0.00002 -0.00018 -0.00001 -0.00005 -0.00000 171 2S 0.00011 0.00018 -0.00001 -0.00007 -0.00000 172 15 O 1S 0.99267 -0.00001 -0.00002 0.00000 -0.00000 173 2S 0.02535 0.00087 -0.00006 0.00001 -0.00000 174 2PX 0.00075 -0.00002 0.00002 0.00000 0.00000 175 2PY 0.00077 -0.00003 -0.00002 -0.00001 -0.00000 176 2PZ -0.00025 0.00001 -0.00000 0.00000 -0.00000 177 3S 0.01581 -0.00589 0.00025 0.00001 0.00001 178 3PX 0.00111 -0.00181 -0.00006 -0.00001 -0.00001 179 3PY 0.00155 -0.00196 0.00011 0.00004 0.00001 180 3PZ -0.00043 0.00062 -0.00000 -0.00000 0.00000 181 4XX -0.00815 0.00026 -0.00005 -0.00001 -0.00000 182 4YY -0.00810 0.00021 -0.00004 0.00000 -0.00000 183 4ZZ -0.00839 0.00070 -0.00007 0.00002 -0.00000 184 4XY 0.00027 -0.00041 -0.00001 0.00001 -0.00000 185 4XZ -0.00010 0.00016 -0.00000 0.00001 0.00000 186 4YZ -0.00010 0.00017 -0.00000 0.00000 0.00000 187 16 H 1S 0.00012 -0.00025 0.00002 0.00002 0.00000 188 2S 0.00050 -0.00106 0.00015 0.00037 0.00001 189 17 H 1S 0.00001 -0.00006 0.00000 -0.00039 -0.00000 190 2S 0.00010 0.00004 0.00007 0.00175 -0.00000 191 18 H 1S 0.00004 -0.00002 -0.00005 -0.00013 0.00000 192 2S -0.00120 -0.00029 -0.00004 -0.00033 -0.00006 193 19 C 1S 0.00001 -0.00001 0.00703 -0.00015 -0.00024 194 2S 0.00003 -0.00001 0.00017 -0.00007 -0.00001 195 2PX -0.00000 -0.00002 -0.00010 -0.00003 0.00000 196 2PY 0.00001 0.00001 0.00024 -0.00002 0.00000 197 2PZ -0.00000 0.00000 -0.00002 0.00001 0.00000 198 3S -0.00050 0.00007 0.00358 0.00071 0.00000 199 3PX 0.00005 -0.00008 0.00080 0.00021 -0.00001 200 3PY 0.00029 -0.00006 -0.00169 -0.00001 0.00004 201 3PZ -0.00005 0.00002 0.00001 -0.00002 -0.00005 202 4XX 0.00001 -0.00001 -0.00019 -0.00003 0.00000 203 4YY -0.00001 -0.00000 -0.00058 -0.00003 -0.00001 204 4ZZ 0.00001 -0.00001 -0.00013 -0.00004 -0.00000 205 4XY -0.00000 0.00002 0.00006 0.00001 0.00000 206 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 207 4YZ 0.00000 -0.00000 0.00009 -0.00000 0.00000 208 20 H 1S 0.00002 0.00000 -0.00014 -0.00001 -0.00000 209 2S -0.00013 0.00005 -0.00032 -0.00047 -0.00001 210 21 H 1S 0.00001 0.00000 -0.00015 -0.00002 0.00000 211 2S 0.00002 -0.00002 0.00022 -0.00000 -0.00006 212 22 H 1S 0.00001 0.00000 -0.00017 -0.00002 0.00001 213 2S 0.00001 -0.00001 0.00039 -0.00002 -0.00001 214 23 H 1S 0.00001 -0.00001 -0.00009 0.00001 -0.00000 215 2S 0.00005 0.00000 0.00010 0.00009 0.00011 216 24 H 1S -0.00003 -0.00002 -0.00007 -0.00005 -0.00000 217 2S 0.00012 0.00009 -0.00037 0.00012 0.00016 218 25 H 1S -0.00000 0.00001 -0.00022 0.00002 0.00001 219 2S 0.00003 0.00000 -0.00006 0.00006 -0.00002 220 26 H 1S -0.00000 0.00000 -0.00005 -0.00001 0.00002 221 2S -0.00001 0.00000 -0.00050 -0.00002 0.00030 222 27 H 1S 0.00000 -0.00000 0.00001 -0.00000 -0.00006 223 2S -0.00001 -0.00001 0.00037 -0.00005 0.00017 224 28 C 1S 0.00000 -0.00000 -0.00001 0.00000 0.01255 225 2S -0.00000 -0.00000 -0.00004 -0.00000 0.00052 226 2PX 0.00000 0.00000 0.00001 0.00000 -0.00017 227 2PY -0.00000 -0.00000 -0.00001 -0.00000 0.00021 228 2PZ 0.00000 -0.00000 0.00002 0.00000 -0.00005 229 3S 0.00000 0.00002 0.00047 0.00002 0.00290 230 3PX 0.00001 0.00001 0.00021 0.00000 0.00128 231 3PY 0.00000 -0.00000 -0.00032 0.00001 -0.00113 232 3PZ -0.00000 0.00001 0.00002 0.00000 0.00021 233 4XX 0.00000 -0.00000 0.00001 0.00000 -0.00026 234 4YY -0.00000 -0.00000 0.00001 -0.00000 -0.00057 235 4ZZ 0.00000 -0.00000 -0.00001 0.00000 -0.00018 236 4XY -0.00000 -0.00000 -0.00003 -0.00000 0.00014 237 4XZ 0.00000 -0.00000 0.00001 0.00000 -0.00003 238 4YZ 0.00000 -0.00000 -0.00001 0.00000 0.00012 239 29 H 1S -0.00000 -0.00000 -0.00005 0.00000 -0.00012 240 2S -0.00000 -0.00001 0.00020 -0.00001 -0.00041 241 30 H 1S -0.00000 -0.00000 -0.00001 -0.00000 -0.00014 242 2S 0.00000 0.00000 -0.00000 -0.00000 0.00043 243 31 H 1S -0.00000 -0.00000 -0.00001 -0.00000 -0.00014 244 2S 0.00000 -0.00000 0.00006 -0.00000 0.00041 245 32 H 1S -0.00000 -0.00000 -0.00001 -0.00000 -0.00010 246 2S -0.00000 0.00001 -0.00001 0.00001 -0.00040 247 33 H 1S 0.00000 0.00000 0.00001 0.00000 -0.00014 248 2S 0.00000 0.00000 0.00000 0.00000 0.00040 249 34 H 1S 0.00000 0.00000 0.00001 0.00000 -0.00014 250 2S 0.00000 -0.00000 0.00002 0.00000 0.00040 6 7 8 9 10 O O O O O Eigenvalues -- -10.18933 -10.18696 -10.18677 -10.18549 -10.17996 1 1 C 1S -0.00000 -0.00007 -0.00014 -0.00000 -0.00211 2 2S -0.00001 -0.00008 -0.00015 -0.00000 -0.00049 3 2PX -0.00001 -0.00001 -0.00003 -0.00000 0.00010 4 2PY -0.00000 -0.00001 0.00000 0.00000 -0.00010 5 2PZ 0.00001 -0.00000 0.00002 0.00000 0.00002 6 3S -0.00001 0.00027 0.00067 0.00002 0.00226 7 3PX -0.00002 0.00016 0.00014 0.00000 0.00020 8 3PY 0.00004 0.00015 0.00038 0.00001 0.00081 9 3PZ -0.00002 -0.00000 -0.00022 -0.00000 -0.00023 10 4XX -0.00000 -0.00000 -0.00003 -0.00000 -0.00001 11 4YY 0.00000 -0.00001 0.00000 0.00000 -0.00005 12 4ZZ -0.00000 -0.00004 -0.00006 -0.00000 -0.00011 13 4XY 0.00000 0.00001 0.00002 0.00000 0.00004 14 4XZ 0.00000 -0.00001 -0.00001 -0.00000 -0.00002 15 4YZ -0.00000 -0.00001 -0.00003 -0.00000 -0.00003 16 2 C 1S 0.00024 -0.00069 -0.00058 0.00000 -0.01270 17 2S 0.00001 -0.00000 -0.00010 0.00000 -0.00075 18 2PX 0.00000 -0.00003 -0.00011 -0.00000 0.00003 19 2PY 0.00001 -0.00001 -0.00004 -0.00000 -0.00026 20 2PZ -0.00000 0.00003 -0.00002 0.00000 0.00007 21 3S 0.00025 -0.00075 0.00077 -0.00002 0.00364 22 3PX 0.00023 -0.00001 0.00151 0.00002 -0.00042 23 3PY -0.00017 -0.00034 -0.00074 -0.00003 0.00377 24 3PZ -0.00002 0.00002 0.00014 -0.00001 -0.00099 25 4XX 0.00000 0.00004 0.00001 0.00000 -0.00009 26 4YY -0.00001 0.00003 -0.00002 -0.00000 -0.00025 27 4ZZ -0.00001 0.00001 -0.00007 -0.00000 -0.00002 28 4XY -0.00000 -0.00005 -0.00009 -0.00000 0.00012 29 4XZ -0.00001 0.00001 0.00002 -0.00000 -0.00002 30 4YZ 0.00000 -0.00001 -0.00001 0.00000 0.00007 31 3 C 1S -0.00002 0.00576 0.00874 -0.00001 -0.00139 32 2S -0.00004 0.00001 0.00040 -0.00001 -0.00014 33 2PX -0.00001 -0.00012 -0.00005 -0.00000 0.00005 34 2PY 0.00001 -0.00013 -0.00011 -0.00000 -0.00007 35 2PZ -0.00001 0.00005 0.00008 -0.00000 0.00001 36 3S 0.00003 0.00335 0.00265 0.00008 -0.00036 37 3PX 0.00050 0.00115 0.00319 0.00005 -0.00072 38 3PY 0.00003 0.00135 0.00183 0.00008 -0.00106 39 3PZ 0.00009 -0.00051 -0.00063 0.00001 0.00035 40 4XX 0.00000 -0.00028 -0.00026 -0.00000 0.00010 41 4YY 0.00001 -0.00023 -0.00014 0.00000 -0.00001 42 4ZZ -0.00002 -0.00018 -0.00019 -0.00001 -0.00004 43 4XY 0.00002 -0.00009 -0.00014 0.00000 0.00004 44 4XZ 0.00000 0.00007 0.00003 0.00000 -0.00003 45 4YZ 0.00000 0.00001 0.00006 0.00000 -0.00002 46 4 C 1S -0.00034 0.57818 0.80736 -0.00004 0.00038 47 2S 0.00010 0.02903 0.04120 0.00001 -0.00011 48 2PX -0.00001 -0.00000 0.00002 -0.00001 0.00004 49 2PY -0.00006 0.00003 -0.00007 0.00000 -0.00005 50 2PZ -0.00003 -0.00004 0.00011 0.00000 0.00001 51 3S -0.00097 -0.00820 -0.02122 -0.00014 0.00158 52 3PX -0.00039 0.00168 -0.00081 0.00010 -0.00053 53 3PY 0.00014 0.00057 0.00071 -0.00006 0.00007 54 3PZ -0.00036 0.00089 -0.00228 -0.00009 0.00006 55 4XX -0.00002 -0.00538 -0.00712 0.00001 -0.00008 56 4YY -0.00002 -0.00523 -0.00707 -0.00000 -0.00004 57 4ZZ -0.00000 -0.00548 -0.00703 -0.00000 -0.00007 58 4XY -0.00005 -0.00007 -0.00008 -0.00000 0.00002 59 4XZ -0.00001 -0.00015 0.00003 -0.00000 -0.00000 60 4YZ -0.00004 -0.00001 0.00000 -0.00000 -0.00001 61 5 C 1S -0.00260 0.80722 -0.57842 0.00009 -0.00003 62 2S -0.00061 0.04082 -0.02966 -0.00003 0.00001 63 2PX 0.00003 0.00003 -0.00008 0.00003 -0.00001 64 2PY -0.00016 0.00007 -0.00013 -0.00000 0.00002 65 2PZ 0.00005 -0.00001 0.00015 -0.00001 0.00001 66 3S 0.00302 -0.01426 0.01669 0.00063 -0.00025 67 3PX 0.00056 -0.00132 -0.00089 0.00003 0.00011 68 3PY 0.00089 -0.00078 0.00019 0.00032 -0.00022 69 3PZ -0.00068 0.00002 -0.00276 -0.00002 0.00003 70 4XX -0.00001 -0.00741 0.00502 -0.00001 0.00000 71 4YY -0.00009 -0.00725 0.00501 0.00001 0.00001 72 4ZZ -0.00012 -0.00745 0.00491 0.00000 0.00000 73 4XY 0.00005 -0.00009 0.00003 0.00002 0.00000 74 4XZ -0.00003 -0.00014 -0.00009 -0.00000 0.00000 75 4YZ -0.00001 -0.00000 -0.00002 0.00000 -0.00000 76 6 C 1S -0.00723 -0.00508 0.00377 0.00002 0.00001 77 2S -0.00046 -0.00046 0.00005 -0.00008 -0.00000 78 2PX 0.00000 0.00015 0.00003 -0.00003 0.00002 79 2PY -0.00026 0.00012 -0.00001 -0.00004 -0.00001 80 2PZ 0.00006 -0.00006 0.00005 0.00001 0.00001 81 3S 0.00361 0.00377 -0.00107 0.00061 -0.00009 82 3PX 0.00078 -0.00189 0.00188 0.00110 -0.00034 83 3PY 0.00402 -0.00179 0.00117 0.00032 0.00010 84 3PZ -0.00071 0.00060 -0.00026 -0.00023 0.00000 85 4XX -0.00012 -0.00020 0.00000 0.00003 -0.00001 86 4YY -0.00037 -0.00016 -0.00004 -0.00003 -0.00000 87 4ZZ -0.00005 -0.00009 -0.00003 -0.00003 -0.00000 88 4XY 0.00004 -0.00009 0.00006 -0.00002 0.00001 89 4XZ -0.00001 0.00007 -0.00004 -0.00001 0.00000 90 4YZ 0.00004 0.00004 -0.00005 0.00000 -0.00000 91 7 C 1S -0.00042 -0.00040 0.00041 -0.00056 -0.00006 92 2S -0.00009 -0.00010 0.00018 0.00007 -0.00002 93 2PX 0.00002 0.00006 -0.00012 -0.00005 -0.00001 94 2PY -0.00006 0.00007 -0.00005 0.00002 -0.00000 95 2PZ 0.00000 -0.00002 -0.00003 0.00001 0.00000 96 3S -0.00031 -0.00059 -0.00052 -0.00292 0.00039 97 3PX -0.00060 -0.00043 0.00132 -0.00075 -0.00006 98 3PY -0.00118 -0.00030 0.00002 -0.00076 0.00015 99 3PZ 0.00031 0.00011 -0.00004 0.00025 -0.00000 100 4XX 0.00011 0.00000 0.00004 0.00003 0.00001 101 4YY -0.00003 0.00005 -0.00001 0.00007 -0.00000 102 4ZZ -0.00004 -0.00006 0.00011 0.00004 -0.00001 103 4XY 0.00001 -0.00007 0.00006 0.00004 -0.00000 104 4XZ -0.00004 0.00000 -0.00001 -0.00000 -0.00000 105 4YZ -0.00001 -0.00001 -0.00000 -0.00001 0.00000 106 8 C 1S 0.00011 0.00000 -0.00000 -0.01818 0.00000 107 2S 0.00001 -0.00008 0.00009 -0.00161 0.00001 108 2PX 0.00002 0.00003 -0.00002 -0.00034 0.00000 109 2PY -0.00007 -0.00001 0.00000 0.00022 -0.00000 110 2PZ 0.00001 -0.00001 0.00002 0.00003 -0.00000 111 3S 0.00044 0.00029 -0.00062 0.00832 -0.00012 112 3PX -0.00090 -0.00106 0.00077 0.00151 0.00006 113 3PY 0.00062 -0.00003 0.00031 -0.00298 0.00004 114 3PZ 0.00004 0.00022 -0.00031 0.00018 -0.00002 115 4XX -0.00008 0.00000 0.00000 -0.00023 -0.00000 116 4YY -0.00002 -0.00001 0.00000 -0.00007 0.00000 117 4ZZ -0.00004 -0.00004 0.00004 -0.00004 0.00000 118 4XY 0.00004 0.00003 -0.00003 0.00001 -0.00000 119 4XZ 0.00000 -0.00001 0.00002 0.00004 0.00000 120 4YZ -0.00001 -0.00001 0.00002 0.00000 0.00000 121 9 C 1S -0.00007 -0.00005 0.00009 0.99264 0.00001 122 2S -0.00006 -0.00002 0.00002 0.04980 -0.00001 123 2PX 0.00001 -0.00000 -0.00001 -0.00016 0.00000 124 2PY 0.00000 -0.00001 0.00001 -0.00009 0.00000 125 2PZ -0.00000 0.00000 -0.00000 0.00004 -0.00000 126 3S 0.00074 0.00055 -0.00019 -0.01773 0.00004 127 3PX -0.00063 -0.00033 0.00019 0.00304 -0.00003 128 3PY 0.00015 0.00045 -0.00039 0.00221 -0.00005 129 3PZ 0.00011 -0.00002 0.00008 -0.00089 0.00001 130 4XX 0.00004 0.00002 -0.00001 -0.00918 0.00000 131 4YY -0.00002 -0.00001 0.00001 -0.00930 -0.00000 132 4ZZ -0.00003 -0.00001 0.00001 -0.00952 -0.00000 133 4XY -0.00002 -0.00001 0.00001 -0.00019 -0.00000 134 4XZ -0.00001 -0.00000 -0.00000 -0.00004 -0.00000 135 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 136 10 C 1S 0.00000 -0.00000 0.00000 -0.00207 0.00000 137 2S -0.00001 -0.00001 0.00001 -0.00038 0.00000 138 2PX 0.00000 0.00001 -0.00002 0.00011 0.00000 139 2PY -0.00001 -0.00000 0.00000 -0.00030 -0.00000 140 2PZ 0.00000 -0.00000 0.00001 0.00003 -0.00000 141 3S -0.00002 0.00016 -0.00014 0.00565 -0.00005 142 3PX 0.00011 -0.00006 0.00016 -0.00283 0.00001 143 3PY 0.00012 0.00016 -0.00019 0.00255 -0.00002 144 3PZ -0.00004 -0.00001 -0.00003 0.00012 0.00000 145 4XX -0.00001 -0.00001 0.00002 -0.00014 -0.00000 146 4YY -0.00000 0.00001 -0.00001 -0.00051 -0.00000 147 4ZZ -0.00001 -0.00001 0.00001 -0.00016 0.00000 148 4XY 0.00001 0.00001 -0.00001 0.00001 0.00000 149 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 150 4YZ -0.00000 -0.00000 0.00000 0.00006 -0.00000 151 11 C 1S -0.00003 -0.00003 0.00004 -0.00035 -0.00003 152 2S -0.00002 -0.00003 0.00003 -0.00014 -0.00000 153 2PX 0.00001 0.00000 0.00000 0.00001 -0.00000 154 2PY -0.00001 -0.00001 0.00001 0.00000 -0.00000 155 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 156 3S 0.00005 0.00011 -0.00019 0.00093 0.00001 157 3PX -0.00002 -0.00005 0.00009 -0.00061 -0.00000 158 3PY 0.00005 0.00004 -0.00003 -0.00013 0.00001 159 3PZ -0.00000 0.00000 0.00000 0.00013 0.00000 160 4XX -0.00000 0.00000 -0.00000 0.00006 0.00000 161 4YY -0.00001 -0.00001 0.00001 0.00004 -0.00000 162 4ZZ -0.00001 -0.00001 0.00001 -0.00003 -0.00000 163 4XY -0.00000 -0.00000 0.00000 0.00001 -0.00000 164 4XZ -0.00000 -0.00000 0.00000 -0.00002 -0.00000 165 4YZ -0.00000 -0.00000 0.00000 -0.00001 0.00000 166 12 H 1S 0.00000 -0.00000 0.00001 -0.00005 0.00000 167 2S 0.00003 0.00003 -0.00002 0.00002 0.00000 168 13 H 1S -0.00001 -0.00001 0.00001 -0.00003 -0.00000 169 2S -0.00001 -0.00001 0.00002 0.00012 -0.00000 170 14 H 1S -0.00001 -0.00001 0.00001 -0.00003 -0.00000 171 2S -0.00001 -0.00000 -0.00000 0.00012 -0.00000 172 15 O 1S -0.00001 -0.00001 0.00001 0.00005 -0.00000 173 2S -0.00003 -0.00003 0.00003 0.00019 -0.00000 174 2PX 0.00000 0.00001 -0.00001 0.00001 0.00000 175 2PY -0.00000 -0.00001 0.00001 0.00004 -0.00000 176 2PZ -0.00000 0.00000 0.00000 -0.00001 0.00000 177 3S 0.00021 0.00015 -0.00013 -0.00171 0.00001 178 3PX 0.00001 -0.00002 0.00001 0.00009 -0.00000 179 3PY 0.00003 0.00002 -0.00002 -0.00066 0.00001 180 3PZ -0.00000 -0.00000 0.00000 0.00008 -0.00000 181 4XX -0.00002 -0.00003 0.00002 0.00027 -0.00000 182 4YY -0.00002 -0.00003 0.00003 0.00013 -0.00000 183 4ZZ -0.00002 -0.00004 0.00004 0.00005 -0.00000 184 4XY 0.00000 -0.00001 0.00001 0.00000 0.00000 185 4XZ -0.00000 -0.00000 0.00000 -0.00005 0.00000 186 4YZ 0.00000 0.00000 0.00000 -0.00001 -0.00000 187 16 H 1S -0.00000 -0.00003 0.00002 -0.00042 0.00000 188 2S 0.00017 -0.00003 0.00003 0.00115 0.00002 189 17 H 1S -0.00004 -0.00003 0.00001 0.00003 0.00000 190 2S -0.00073 0.00001 -0.00008 0.00034 -0.00001 191 18 H 1S -0.00006 -0.00001 0.00006 -0.00001 0.00000 192 2S -0.00040 -0.00026 0.00011 0.00000 0.00002 193 19 C 1S 0.99291 0.00214 -0.00108 0.00006 0.00002 194 2S 0.05025 -0.00021 0.00022 -0.00001 -0.00000 195 2PX -0.00008 0.00011 -0.00010 -0.00003 0.00001 196 2PY -0.00003 0.00006 -0.00006 0.00003 0.00002 197 2PZ 0.00001 -0.00001 0.00007 0.00000 -0.00000 198 3S -0.01878 0.00158 -0.00118 -0.00019 -0.00007 199 3PX -0.00021 -0.00028 0.00022 -0.00014 0.00000 200 3PY 0.00132 -0.00031 0.00059 -0.00002 -0.00001 201 3PZ -0.00012 -0.00004 -0.00041 0.00002 0.00002 202 4XX -0.00911 -0.00009 0.00006 -0.00001 -0.00000 203 4YY -0.00917 -0.00009 0.00005 -0.00001 -0.00001 204 4ZZ -0.00909 -0.00016 0.00011 -0.00002 -0.00001 205 4XY 0.00007 -0.00003 0.00001 0.00002 -0.00001 206 4XZ -0.00000 0.00000 0.00002 -0.00001 0.00000 207 4YZ -0.00000 -0.00001 -0.00000 -0.00001 0.00000 208 20 H 1S -0.00004 -0.00003 0.00000 -0.00000 0.00000 209 2S 0.00295 0.00009 -0.00022 0.00016 0.00002 210 21 H 1S 0.00000 -0.00005 0.00011 0.00001 -0.00001 211 2S 0.00295 -0.00060 -0.00018 -0.00003 0.00006 212 22 H 1S 0.00003 -0.00007 0.00012 0.00001 -0.00000 213 2S 0.00282 -0.00033 0.00035 -0.00001 -0.00001 214 23 H 1S -0.00013 -0.00002 -0.00021 -0.00004 0.00004 215 2S -0.00021 0.00237 -0.00150 -0.00008 0.00005 216 24 H 1S -0.00003 -0.00002 -0.00021 0.00002 -0.00002 217 2S 0.00024 0.00234 -0.00159 0.00002 -0.00006 218 25 H 1S 0.00007 -0.00008 0.00027 -0.00001 -0.00003 219 2S 0.00006 0.00164 0.00252 -0.00006 0.00002 220 26 H 1S 0.00004 -0.00016 0.00011 0.00001 -0.00004 221 2S -0.00032 0.00215 0.00260 0.00004 -0.00065 222 27 H 1S -0.00002 -0.00003 -0.00008 -0.00000 -0.00005 223 2S -0.00007 0.00002 0.00036 0.00003 -0.00018 224 28 C 1S -0.00003 -0.00024 -0.00038 -0.00001 0.99285 225 2S -0.00002 -0.00008 -0.00011 -0.00000 0.05017 226 2PX -0.00001 -0.00002 -0.00006 -0.00000 -0.00009 227 2PY -0.00001 -0.00003 -0.00004 -0.00000 -0.00002 228 2PZ 0.00000 0.00002 -0.00004 -0.00000 0.00002 229 3S 0.00016 0.00081 0.00118 0.00003 -0.01847 230 3PX 0.00003 0.00023 0.00015 0.00001 -0.00050 231 3PY -0.00006 0.00005 -0.00017 -0.00001 0.00115 232 3PZ 0.00003 -0.00003 0.00025 0.00001 -0.00029 233 4XX -0.00001 -0.00004 -0.00009 -0.00000 -0.00914 234 4YY -0.00000 -0.00002 -0.00000 -0.00000 -0.00914 235 4ZZ -0.00001 -0.00003 -0.00006 -0.00000 -0.00910 236 4XY -0.00000 0.00001 0.00003 -0.00000 0.00008 237 4XZ -0.00000 0.00000 -0.00002 -0.00000 -0.00002 238 4YZ -0.00000 -0.00001 -0.00001 -0.00000 0.00001 239 29 H 1S 0.00000 -0.00000 -0.00003 -0.00000 -0.00007 240 2S 0.00001 -0.00053 -0.00042 -0.00000 0.00295 241 30 H 1S -0.00000 -0.00002 -0.00001 0.00000 0.00002 242 2S 0.00000 -0.00003 0.00008 0.00000 0.00280 243 31 H 1S -0.00000 -0.00002 -0.00004 -0.00000 0.00002 244 2S -0.00001 -0.00002 -0.00018 -0.00000 0.00283 245 32 H 1S -0.00000 -0.00003 -0.00004 -0.00000 -0.00003 246 2S 0.00004 0.00008 0.00017 0.00000 0.00021 247 33 H 1S -0.00000 -0.00002 -0.00001 -0.00000 -0.00011 248 2S 0.00001 -0.00002 0.00000 0.00000 -0.00034 249 34 H 1S 0.00000 -0.00001 -0.00003 -0.00000 -0.00011 250 2S -0.00001 0.00002 -0.00009 -0.00000 -0.00032 11 12 13 14 15 O O O O O Eigenvalues -- -10.17949 -10.17834 -10.17703 -10.17480 -1.01806 1 1 C 1S -0.00000 -0.00005 0.99287 0.00262 0.00000 2 2S -0.00000 -0.00001 0.05011 -0.00007 0.00000 3 2PX -0.00000 -0.00000 -0.00006 0.00002 0.00001 4 2PY -0.00000 -0.00000 0.00008 0.00003 0.00000 5 2PZ 0.00000 0.00000 -0.00002 -0.00001 -0.00000 6 3S -0.00001 -0.00001 -0.01765 0.00131 0.00009 7 3PX -0.00000 0.00000 -0.00064 0.00017 0.00003 8 3PY 0.00000 0.00000 -0.00093 0.00047 0.00002 9 3PZ -0.00000 0.00000 0.00031 -0.00019 -0.00002 10 4XX -0.00000 -0.00000 -0.00918 0.00001 0.00000 11 4YY 0.00000 0.00000 -0.00913 0.00001 -0.00000 12 4ZZ -0.00000 -0.00000 -0.00911 -0.00006 0.00000 13 4XY -0.00000 0.00000 -0.00006 0.00004 0.00000 14 4XZ 0.00000 -0.00000 0.00002 -0.00002 -0.00000 15 4YZ 0.00000 -0.00000 0.00001 -0.00004 -0.00000 16 2 C 1S 0.00000 0.00000 -0.00969 -0.02775 -0.00000 17 2S 0.00000 0.00000 -0.00062 -0.00200 -0.00000 18 2PX 0.00000 -0.00000 0.00011 -0.00047 0.00000 19 2PY 0.00000 0.00000 0.00018 -0.00000 -0.00001 20 2PZ 0.00000 0.00000 -0.00006 0.00002 -0.00000 21 3S 0.00002 -0.00001 0.00360 0.00660 -0.00003 22 3PX 0.00002 0.00001 -0.00145 0.00391 -0.00002 23 3PY -0.00003 -0.00010 -0.00242 0.00119 0.00027 24 3PZ -0.00000 0.00000 0.00078 -0.00046 -0.00001 25 4XX 0.00000 -0.00000 -0.00017 -0.00010 -0.00000 26 4YY -0.00000 0.00000 -0.00020 -0.00005 -0.00000 27 4ZZ -0.00000 -0.00000 -0.00005 0.00007 -0.00000 28 4XY -0.00000 -0.00000 -0.00013 0.00007 0.00000 29 4XZ -0.00000 -0.00000 0.00005 0.00002 0.00000 30 4YZ 0.00000 0.00000 0.00006 0.00003 -0.00000 31 3 C 1S -0.00002 -0.00003 -0.00293 0.99241 0.00001 32 2S -0.00001 -0.00003 -0.00028 0.04964 0.00008 33 2PX -0.00000 -0.00000 0.00006 0.00012 0.00002 34 2PY -0.00000 -0.00000 0.00007 0.00020 0.00003 35 2PZ -0.00000 -0.00001 -0.00003 0.00004 0.00001 36 3S 0.00005 0.00023 -0.00016 -0.01744 -0.00035 37 3PX 0.00007 0.00017 -0.00050 0.00095 -0.00035 38 3PY 0.00003 0.00017 -0.00006 -0.00265 -0.00035 39 3PZ 0.00001 -0.00003 0.00005 0.00030 0.00001 40 4XX -0.00000 0.00000 0.00005 -0.00891 0.00001 41 4YY 0.00000 0.00000 0.00003 -0.00930 0.00001 42 4ZZ -0.00000 -0.00001 -0.00006 -0.00941 0.00002 43 4XY 0.00000 0.00001 -0.00008 -0.00005 -0.00001 44 4XZ 0.00000 -0.00000 0.00001 -0.00004 0.00000 45 4YZ 0.00000 -0.00001 -0.00003 -0.00004 0.00000 46 4 C 1S -0.00001 -0.00006 0.00011 -0.01068 -0.00003 47 2S 0.00001 0.00007 -0.00015 -0.00059 0.00006 48 2PX -0.00000 -0.00001 0.00003 0.00020 0.00006 49 2PY -0.00000 -0.00000 0.00000 0.00010 0.00001 50 2PZ -0.00000 -0.00002 -0.00001 -0.00004 0.00003 51 3S -0.00014 -0.00070 0.00099 0.00357 0.00025 52 3PX -0.00000 0.00010 -0.00038 -0.00260 -0.00022 53 3PY 0.00002 0.00002 -0.00015 -0.00042 -0.00026 54 3PZ -0.00005 -0.00001 0.00021 -0.00033 0.00007 55 4XX -0.00000 0.00001 -0.00002 -0.00009 0.00003 56 4YY 0.00000 0.00003 -0.00004 -0.00016 0.00002 57 4ZZ 0.00000 0.00003 -0.00006 -0.00005 0.00001 58 4XY -0.00000 -0.00001 0.00002 -0.00023 0.00001 59 4XZ -0.00000 0.00001 -0.00001 0.00002 0.00001 60 4YZ -0.00000 -0.00000 -0.00001 0.00011 -0.00001 61 5 C 1S 0.00003 0.00043 -0.00001 0.00031 -0.00013 62 2S -0.00005 -0.00016 0.00004 -0.00015 0.00045 63 2PX -0.00000 0.00001 -0.00001 0.00015 0.00005 64 2PY 0.00000 0.00000 0.00001 0.00009 -0.00003 65 2PZ 0.00000 -0.00001 0.00001 0.00001 0.00003 66 3S 0.00039 0.00120 -0.00038 -0.00025 -0.00261 67 3PX 0.00009 0.00015 0.00013 -0.00186 -0.00126 68 3PY 0.00015 0.00046 -0.00010 -0.00132 0.00001 69 3PZ -0.00007 -0.00012 0.00005 -0.00015 -0.00006 70 4XX -0.00001 0.00004 -0.00000 -0.00012 -0.00006 71 4YY -0.00000 0.00002 0.00001 -0.00010 0.00004 72 4ZZ -0.00001 -0.00004 0.00001 -0.00002 -0.00001 73 4XY 0.00001 0.00003 -0.00000 -0.00003 -0.00005 74 4XZ -0.00000 -0.00002 -0.00000 0.00008 0.00002 75 4YZ -0.00000 -0.00001 -0.00001 0.00006 -0.00000 76 6 C 1S 0.00000 -0.01311 0.00000 0.00000 -0.00068 77 2S -0.00003 -0.00123 -0.00002 -0.00024 0.00104 78 2PX -0.00002 -0.00040 0.00001 0.00005 0.00106 79 2PY -0.00001 0.00013 -0.00001 0.00007 -0.00019 80 2PZ 0.00001 0.00005 0.00001 -0.00000 -0.00016 81 3S 0.00022 0.00653 0.00007 0.00204 0.01061 82 3PX 0.00057 0.00379 -0.00024 -0.00122 0.00233 83 3PY -0.00011 0.00010 0.00004 -0.00142 -0.00493 84 3PZ -0.00007 -0.00066 -0.00003 0.00038 0.00039 85 4XX 0.00001 -0.00023 -0.00001 0.00000 0.00011 86 4YY -0.00001 -0.00021 -0.00000 -0.00006 0.00004 87 4ZZ -0.00002 -0.00005 -0.00001 -0.00009 -0.00007 88 4XY -0.00002 0.00008 0.00001 0.00006 -0.00006 89 4XZ -0.00000 0.00002 0.00000 -0.00003 -0.00003 90 4YZ 0.00000 0.00002 0.00000 -0.00002 -0.00001 91 7 C 1S -0.00022 0.99269 0.00004 0.00002 -0.00361 92 2S -0.00002 0.04977 -0.00001 0.00001 0.00579 93 2PX -0.00003 0.00007 -0.00001 0.00001 0.00327 94 2PY 0.00001 0.00039 -0.00000 -0.00002 -0.00082 95 2PZ 0.00000 -0.00009 0.00000 -0.00001 -0.00047 96 3S -0.00008 -0.01811 0.00023 -0.00029 0.00364 97 3PX 0.00052 0.00013 0.00001 0.00037 0.01314 98 3PY 0.00005 -0.00322 0.00009 0.00050 -0.00454 99 3PZ -0.00010 0.00049 0.00000 -0.00008 -0.00169 100 4XX -0.00003 -0.00906 0.00000 -0.00002 0.00057 101 4YY 0.00001 -0.00934 -0.00000 0.00002 -0.00002 102 4ZZ -0.00002 -0.00953 -0.00000 -0.00001 -0.00054 103 4XY 0.00003 -0.00005 -0.00000 -0.00002 -0.00015 104 4XZ -0.00000 -0.00009 -0.00000 -0.00000 -0.00022 105 4YZ -0.00001 -0.00003 0.00000 -0.00000 -0.00007 106 8 C 1S -0.00001 -0.00710 0.00000 0.00000 -0.00702 107 2S -0.00015 -0.00068 0.00001 0.00000 0.01464 108 2PX -0.00001 0.00029 0.00000 0.00003 0.00491 109 2PY 0.00002 0.00019 -0.00000 -0.00001 -0.00679 110 2PZ -0.00000 -0.00008 -0.00000 -0.00000 0.00014 111 3S 0.00167 0.00565 -0.00012 -0.00053 -0.03021 112 3PX 0.00140 -0.00302 0.00003 -0.00026 -0.01204 113 3PY -0.00028 -0.00090 0.00005 0.00020 0.01259 114 3PZ -0.00021 0.00068 -0.00002 -0.00001 0.00027 115 4XX 0.00003 -0.00038 -0.00000 -0.00001 -0.00014 116 4YY -0.00002 -0.00026 0.00000 0.00000 0.00053 117 4ZZ -0.00007 -0.00010 0.00000 -0.00001 -0.00066 118 4XY -0.00005 -0.00019 -0.00000 0.00002 -0.00061 119 4XZ -0.00001 0.00009 0.00000 0.00000 -0.00002 120 4YZ 0.00000 0.00007 0.00000 -0.00000 -0.00010 121 9 C 1S 0.00033 0.00048 0.00000 0.00000 -0.02080 122 2S -0.00011 0.00004 -0.00001 -0.00002 0.03696 123 2PX -0.00011 0.00000 0.00000 -0.00001 -0.00102 124 2PY 0.00007 -0.00001 0.00000 0.00000 -0.02819 125 2PZ 0.00001 0.00000 0.00000 0.00000 0.00445 126 3S -0.00040 -0.00056 0.00006 0.00037 0.02446 127 3PX 0.00136 0.00007 -0.00004 -0.00026 -0.04050 128 3PY -0.00171 0.00116 -0.00004 0.00010 0.00321 129 3PZ 0.00001 -0.00019 0.00001 0.00004 0.00681 130 4XX -0.00004 0.00008 0.00000 0.00001 -0.00097 131 4YY 0.00010 0.00004 -0.00000 -0.00000 0.00724 132 4ZZ -0.00007 0.00001 -0.00000 -0.00001 -0.00236 133 4XY 0.00005 -0.00004 -0.00000 -0.00001 -0.00051 134 4XZ -0.00001 -0.00001 -0.00000 -0.00000 -0.00027 135 4YZ -0.00004 0.00000 -0.00000 0.00000 -0.00163 136 10 C 1S -0.00146 -0.00000 0.00000 -0.00000 -0.11976 137 2S -0.00025 -0.00005 0.00000 -0.00001 0.23046 138 2PX -0.00016 0.00005 0.00000 0.00000 -0.11700 139 2PY 0.00011 0.00002 -0.00000 0.00001 -0.12362 140 2PZ 0.00001 -0.00001 0.00000 -0.00000 0.03966 141 3S 0.00363 0.00078 -0.00004 -0.00003 0.08459 142 3PX 0.00289 -0.00058 0.00002 0.00006 0.04826 143 3PY -0.00198 0.00076 -0.00002 0.00008 0.03661 144 3PZ -0.00022 -0.00001 -0.00000 -0.00003 -0.01420 145 4XX -0.00037 -0.00004 -0.00000 -0.00000 -0.00102 146 4YY -0.00016 -0.00003 -0.00000 -0.00001 0.00165 147 4ZZ -0.00013 -0.00003 0.00000 -0.00000 -0.01779 148 4XY 0.00007 -0.00002 0.00000 -0.00000 0.02178 149 4XZ 0.00004 0.00000 0.00000 0.00000 -0.00720 150 4YZ -0.00001 0.00000 -0.00000 0.00000 -0.00767 151 11 C 1S 0.99290 0.00020 0.00000 0.00001 -0.01913 152 2S 0.05036 -0.00003 -0.00000 -0.00001 0.03529 153 2PX 0.00003 -0.00001 -0.00000 0.00000 -0.02633 154 2PY 0.00019 -0.00000 -0.00000 -0.00001 -0.00079 155 2PZ -0.00003 0.00000 -0.00000 0.00000 0.00483 156 3S -0.01795 0.00042 0.00000 0.00001 -0.00255 157 3PX 0.00140 -0.00020 0.00000 -0.00001 0.00344 158 3PY -0.00054 -0.00004 0.00001 0.00002 -0.01292 159 3PZ -0.00017 0.00004 -0.00000 0.00000 0.00135 160 4XX -0.00932 0.00001 0.00000 -0.00000 0.00685 161 4YY -0.00915 -0.00001 -0.00000 -0.00000 -0.00097 162 4ZZ -0.00916 -0.00002 -0.00000 -0.00000 -0.00103 163 4XY 0.00000 0.00001 -0.00000 0.00000 0.00028 164 4XZ 0.00003 -0.00001 0.00000 -0.00000 -0.00173 165 4YZ -0.00000 -0.00000 0.00000 0.00000 -0.00011 166 12 H 1S -0.00003 -0.00002 0.00000 0.00000 0.00886 167 2S 0.00256 -0.00002 0.00000 0.00001 -0.00077 168 13 H 1S 0.00000 -0.00001 -0.00000 -0.00000 0.00648 169 2S 0.00275 0.00001 -0.00000 0.00000 0.00117 170 14 H 1S 0.00000 -0.00001 -0.00000 -0.00000 0.00648 171 2S 0.00275 0.00001 -0.00000 -0.00000 0.00116 172 15 O 1S -0.00000 0.00001 -0.00000 0.00000 -0.19355 173 2S -0.00006 0.00004 -0.00000 -0.00000 0.41550 174 2PX -0.00001 -0.00003 0.00000 -0.00001 0.10367 175 2PY -0.00002 0.00001 -0.00000 0.00000 0.11400 176 2PZ 0.00001 0.00001 0.00000 0.00000 -0.03582 177 3S -0.00022 -0.00023 0.00001 0.00005 0.42470 178 3PX -0.00031 0.00028 -0.00000 0.00007 0.03945 179 3PY 0.00036 -0.00012 0.00001 0.00001 0.04686 180 3PZ 0.00000 -0.00003 -0.00000 -0.00001 -0.01415 181 4XX -0.00001 0.00005 -0.00000 0.00001 -0.00313 182 4YY 0.00010 0.00004 -0.00000 0.00001 -0.00112 183 4ZZ -0.00010 0.00003 -0.00000 0.00001 -0.00774 184 4XY 0.00002 0.00003 -0.00000 0.00001 0.01177 185 4XZ -0.00002 -0.00001 0.00000 -0.00000 -0.00293 186 4YZ -0.00004 -0.00001 -0.00000 -0.00000 -0.00342 187 16 H 1S -0.00008 -0.00005 0.00000 -0.00000 0.00707 188 2S 0.00021 -0.00013 0.00001 0.00003 0.01138 189 17 H 1S -0.00003 -0.00012 -0.00000 -0.00001 0.00166 190 2S 0.00001 -0.00027 -0.00001 -0.00003 -0.00279 191 18 H 1S -0.00001 -0.00038 0.00000 0.00001 0.00470 192 2S 0.00009 0.00159 0.00000 0.00039 0.00112 193 19 C 1S 0.00002 0.00032 0.00000 0.00001 -0.00014 194 2S -0.00001 -0.00002 0.00000 -0.00004 0.00028 195 2PX -0.00002 -0.00004 0.00001 0.00002 0.00024 196 2PY 0.00001 0.00007 0.00001 0.00001 -0.00024 197 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 198 3S 0.00009 -0.00087 -0.00008 0.00038 0.00177 199 3PX -0.00006 -0.00053 0.00002 0.00028 -0.00046 200 3PY -0.00012 0.00026 0.00002 -0.00022 -0.00040 201 3PZ 0.00002 0.00003 0.00002 0.00004 0.00013 202 4XX -0.00001 0.00001 0.00000 0.00002 0.00002 203 4YY 0.00000 0.00004 -0.00001 0.00000 0.00003 204 4ZZ -0.00001 -0.00003 -0.00000 -0.00003 0.00004 205 4XY 0.00001 0.00004 -0.00001 -0.00004 -0.00002 206 4XZ -0.00000 -0.00002 0.00000 0.00000 0.00001 207 4YZ -0.00000 -0.00002 -0.00000 0.00000 0.00001 208 20 H 1S -0.00001 0.00003 0.00000 -0.00001 0.00020 209 2S 0.00010 0.00020 0.00001 -0.00007 -0.00019 210 21 H 1S 0.00000 0.00004 -0.00000 -0.00003 -0.00002 211 2S -0.00001 -0.00009 0.00004 0.00023 -0.00016 212 22 H 1S 0.00000 0.00003 -0.00000 -0.00000 -0.00002 213 2S -0.00000 -0.00004 -0.00001 0.00003 -0.00017 214 23 H 1S -0.00001 -0.00004 0.00003 -0.00017 0.00011 215 2S -0.00001 -0.00007 0.00005 0.00010 0.00005 216 24 H 1S -0.00001 0.00001 -0.00001 -0.00007 0.00011 217 2S 0.00002 -0.00006 0.00002 -0.00035 0.00089 218 25 H 1S 0.00000 -0.00002 -0.00001 -0.00012 0.00002 219 2S -0.00000 0.00017 0.00003 0.00037 0.00002 220 26 H 1S 0.00000 0.00002 -0.00004 -0.00013 0.00001 221 2S -0.00000 0.00014 -0.00009 -0.00076 0.00013 222 27 H 1S -0.00000 -0.00001 -0.00003 -0.00032 0.00002 223 2S -0.00000 0.00004 -0.00008 0.00160 -0.00014 224 28 C 1S 0.00003 0.00005 0.00184 0.00104 0.00000 225 2S -0.00000 -0.00001 -0.00026 0.00001 0.00001 226 2PX 0.00000 -0.00000 0.00010 -0.00007 -0.00000 227 2PY -0.00000 -0.00000 0.00010 0.00007 0.00000 228 2PZ -0.00000 0.00000 -0.00003 -0.00001 0.00000 229 3S 0.00002 0.00010 0.00160 -0.00103 -0.00013 230 3PX 0.00000 0.00003 -0.00019 -0.00062 -0.00004 231 3PY -0.00001 -0.00001 -0.00070 -0.00001 0.00009 232 3PZ 0.00001 0.00001 0.00019 -0.00001 -0.00004 233 4XX -0.00000 -0.00000 -0.00007 -0.00001 -0.00000 234 4YY -0.00000 -0.00000 -0.00007 0.00007 -0.00000 235 4ZZ -0.00000 -0.00000 -0.00015 -0.00005 -0.00000 236 4XY -0.00000 -0.00000 -0.00003 0.00002 0.00000 237 4XZ -0.00000 0.00000 -0.00000 -0.00001 -0.00000 238 4YZ -0.00000 -0.00000 -0.00003 -0.00003 0.00000 239 29 H 1S -0.00000 0.00000 -0.00002 0.00001 0.00001 240 2S -0.00000 -0.00004 0.00030 0.00043 -0.00006 241 30 H 1S -0.00000 -0.00000 -0.00010 0.00003 0.00000 242 2S 0.00000 -0.00000 -0.00032 -0.00006 -0.00001 243 31 H 1S -0.00000 -0.00000 -0.00010 0.00005 0.00000 244 2S -0.00000 -0.00000 -0.00030 -0.00005 0.00000 245 32 H 1S -0.00000 -0.00000 -0.00004 -0.00002 0.00000 246 2S 0.00000 0.00001 0.00261 -0.00006 -0.00000 247 33 H 1S 0.00000 -0.00000 -0.00002 -0.00003 -0.00000 248 2S 0.00000 -0.00000 0.00279 -0.00005 -0.00000 249 34 H 1S 0.00000 0.00000 -0.00001 -0.00004 -0.00000 250 2S -0.00000 0.00000 0.00279 -0.00005 0.00000 16 17 18 19 20 O O O O O Eigenvalues -- -0.83029 -0.80870 -0.78456 -0.74993 -0.73212 1 1 C 1S -0.01796 -0.07167 -0.04205 0.05811 -0.03069 2 2S 0.03371 0.13457 0.07936 -0.11080 0.05884 3 2PX 0.00934 0.03080 0.01336 -0.00745 0.00040 4 2PY 0.00890 0.03273 0.01709 -0.01855 0.00820 5 2PZ -0.00318 -0.01154 -0.00584 0.00575 -0.00227 6 3S 0.02534 0.10793 0.06648 -0.09608 0.05180 7 3PX 0.00114 0.00575 0.00289 -0.00078 -0.00087 8 3PY 0.00120 0.00422 0.00214 -0.00203 0.00082 9 3PZ -0.00036 -0.00157 -0.00078 0.00051 -0.00011 10 4XX 0.00062 0.00195 0.00074 -0.00005 -0.00027 11 4YY 0.00056 0.00184 0.00088 -0.00086 0.00036 12 4ZZ -0.00051 -0.00174 -0.00075 0.00042 -0.00003 13 4XY 0.00106 0.00349 0.00149 -0.00082 0.00007 14 4XZ -0.00041 -0.00136 -0.00058 0.00029 -0.00000 15 4YZ -0.00046 -0.00157 -0.00071 0.00051 -0.00014 16 2 C 1S -0.03819 -0.12446 -0.05570 0.04471 -0.01527 17 2S 0.07368 0.24165 0.10877 -0.08795 0.03014 18 2PX 0.01619 0.02357 -0.01035 0.05611 -0.03990 19 2PY -0.00051 -0.00384 -0.00238 0.00064 0.00137 20 2PZ -0.00090 -0.00108 0.00101 -0.00440 0.00296 21 3S 0.04825 0.14862 0.06482 -0.05032 0.01610 22 3PX 0.00112 -0.00952 -0.01179 0.02418 -0.01406 23 3PY -0.00027 0.00356 0.00399 -0.00466 0.00160 24 3PZ -0.00016 -0.00022 -0.00026 -0.00041 0.00073 25 4XX 0.00174 0.00325 0.00005 0.00245 -0.00174 26 4YY -0.00077 -0.00074 0.00088 -0.00336 0.00228 27 4ZZ -0.00372 -0.01179 -0.00509 0.00378 -0.00119 28 4XY -0.00038 -0.00123 -0.00035 -0.00054 0.00059 29 4XZ -0.00041 -0.00127 -0.00056 0.00045 -0.00015 30 4YZ -0.00097 -0.00365 -0.00200 0.00248 -0.00124 31 3 C 1S -0.04707 -0.10187 -0.01533 -0.04091 0.03341 32 2S 0.08985 0.19450 0.02919 0.07969 -0.06523 33 2PX 0.00171 -0.04832 -0.04823 0.07152 -0.03229 34 2PY 0.01728 0.02309 -0.00634 0.02640 -0.01421 35 2PZ -0.00183 -0.00087 0.00307 -0.00945 0.00573 36 3S 0.05497 0.13692 0.02807 0.04452 -0.04113 37 3PX 0.00347 -0.00831 -0.01390 0.02503 -0.01258 38 3PY -0.00183 -0.00301 -0.00245 0.00106 0.00139 39 3PZ 0.00139 0.00212 0.00128 -0.00163 0.00028 40 4XX 0.00268 0.00568 0.00130 -0.00009 -0.00006 41 4YY 0.00008 -0.00148 -0.00154 0.00233 -0.00104 42 4ZZ -0.00454 -0.00995 -0.00168 -0.00332 0.00281 43 4XY 0.00136 -0.00096 -0.00289 0.00481 -0.00209 44 4XZ -0.00079 -0.00125 0.00015 -0.00118 0.00074 45 4YZ -0.00151 -0.00280 0.00001 -0.00215 0.00148 46 4 C 1S -0.06464 -0.05897 0.03969 -0.10325 0.05184 47 2S 0.12181 0.10983 -0.07616 0.19756 -0.09945 48 2PX 0.01095 -0.03175 -0.02700 0.00340 0.01085 49 2PY -0.00021 -0.01855 -0.00878 -0.01086 0.01435 50 2PZ 0.02329 0.00854 -0.01788 0.02036 -0.00381 51 3S 0.09178 0.09638 -0.05703 0.17195 -0.09092 52 3PX -0.00243 -0.00801 -0.00691 0.00268 0.00361 53 3PY 0.00041 -0.00373 -0.00419 0.00338 0.00023 54 3PZ 0.00387 0.00297 -0.00136 0.00001 0.00143 55 4XX 0.00136 0.00169 0.00071 -0.00144 0.00058 56 4YY -0.00078 0.00010 0.00090 -0.00085 0.00017 57 4ZZ 0.00058 -0.00219 -0.00157 -0.00026 0.00094 58 4XY 0.00134 0.00242 0.00064 -0.00031 0.00000 59 4XZ 0.00199 -0.00166 -0.00253 0.00054 0.00097 60 4YZ 0.00021 -0.00125 -0.00088 -0.00023 0.00068 61 5 C 1S -0.08919 -0.01230 0.06916 -0.06310 0.01011 62 2S 0.16698 0.02386 -0.13063 0.12071 -0.01928 63 2PX 0.02254 -0.03168 -0.00947 -0.04999 0.03161 64 2PY 0.01990 -0.01345 -0.01436 -0.02270 0.02703 65 2PZ -0.02207 -0.01198 0.01379 -0.02715 0.01363 66 3S 0.13300 0.01518 -0.11410 0.10524 -0.01733 67 3PX 0.00817 -0.00328 -0.00303 -0.01126 0.00674 68 3PY 0.00243 -0.00196 -0.00148 -0.00560 0.00547 69 3PZ -0.00548 -0.00122 0.00190 -0.00358 0.00343 70 4XX 0.00273 -0.00062 -0.00034 -0.00195 0.00039 71 4YY -0.00028 -0.00084 0.00008 -0.00179 0.00159 72 4ZZ -0.00154 0.00194 0.00087 0.00277 -0.00201 73 4XY 0.00315 -0.00104 -0.00120 -0.00216 0.00176 74 4XZ -0.00037 0.00274 0.00020 0.00434 -0.00295 75 4YZ -0.00071 0.00096 0.00022 0.00166 -0.00108 76 6 C 1S -0.12038 0.03949 0.05411 0.04473 -0.04015 77 2S 0.23439 -0.07731 -0.10625 -0.08765 0.07974 78 2PX 0.01213 -0.03322 0.04587 -0.06219 -0.02052 79 2PY -0.01376 -0.00305 -0.00089 -0.03319 0.05326 80 2PZ -0.00277 0.00426 -0.00558 0.00982 -0.00119 81 3S 0.14446 -0.05444 -0.06245 -0.07419 0.05006 82 3PX -0.00549 -0.00475 0.01481 -0.01078 -0.01414 83 3PY 0.00853 -0.00058 -0.01191 -0.00858 0.01712 84 3PZ -0.00145 -0.00009 -0.00058 0.00240 0.00042 85 4XX 0.00294 -0.00059 0.00095 0.00193 -0.00439 86 4YY 0.00038 0.00027 -0.00235 -0.00118 0.00456 87 4ZZ -0.01163 0.00381 0.00495 0.00444 -0.00367 88 4XY -0.00092 0.00260 -0.00210 0.00587 -0.00147 89 4XZ -0.00259 0.00078 0.00090 0.00028 0.00004 90 4YZ -0.00184 0.00031 0.00155 0.00029 -0.00136 91 7 C 1S -0.09646 0.05563 -0.02531 0.05356 0.02785 92 2S 0.18495 -0.10724 0.04885 -0.10495 -0.05401 93 2PX -0.03152 -0.00595 0.07822 0.01981 -0.05552 94 2PY 0.03817 -0.02325 0.00823 -0.02839 0.00422 95 2PZ -0.00099 0.00447 -0.01491 -0.00008 0.00990 96 3S 0.12202 -0.06888 0.03186 -0.06828 -0.03805 97 3PX -0.00849 -0.00310 0.02544 -0.00143 -0.02362 98 3PY -0.00520 0.00467 -0.00216 0.00762 0.00737 99 3PZ 0.00238 -0.00026 -0.00399 -0.00188 0.00365 100 4XX 0.00510 -0.00248 0.00204 0.00054 -0.00135 101 4YY -0.00006 -0.00028 0.00030 -0.00100 0.00006 102 4ZZ -0.00957 0.00539 -0.00230 0.00496 0.00254 103 4XY -0.00217 -0.00015 0.00523 0.00221 -0.00460 104 4XZ -0.00272 0.00178 -0.00192 0.00081 0.00151 105 4YZ -0.00146 0.00115 -0.00149 0.00070 0.00137 106 8 C 1S -0.06889 0.06132 -0.10997 0.00755 0.06913 107 2S 0.13391 -0.11988 0.21676 -0.01508 -0.13789 108 2PX -0.02034 0.00127 0.05500 0.05973 -0.01015 109 2PY -0.01836 0.01676 -0.03341 -0.00559 0.01592 110 2PZ 0.00642 -0.00282 -0.00483 -0.01010 -0.00051 111 3S 0.09000 -0.08163 0.15185 0.00056 -0.09569 112 3PX -0.01561 0.00856 0.01039 0.02713 -0.00196 113 3PY 0.00201 -0.00427 0.00982 -0.00760 -0.01049 114 3PZ 0.00244 -0.00085 -0.00344 -0.00358 0.00190 115 4XX 0.00406 -0.00266 0.00257 -0.00064 0.00010 116 4YY -0.00008 -0.00000 0.00014 -0.00023 -0.00060 117 4ZZ -0.00687 0.00602 -0.01061 0.00060 0.00637 118 4XY 0.00135 -0.00013 -0.00330 -0.00374 -0.00032 119 4XZ -0.00261 0.00194 -0.00238 0.00089 0.00145 120 4YZ -0.00154 0.00117 -0.00140 0.00086 0.00136 121 9 C 1S -0.03941 0.04483 -0.11927 -0.05333 0.01699 122 2S 0.07576 -0.08639 0.23112 0.10508 -0.03266 123 2PX -0.02897 0.02650 -0.04456 0.02567 0.07579 124 2PY 0.00906 -0.00797 0.00977 -0.02337 -0.05132 125 2PZ 0.00386 -0.00358 0.00658 -0.00110 -0.00588 126 3S 0.05773 -0.06522 0.16455 0.05897 -0.03208 127 3PX -0.00325 0.00190 0.00605 0.02047 0.01574 128 3PY 0.00653 -0.00419 0.00080 -0.00659 -0.00681 129 3PZ -0.00039 0.00028 -0.00121 -0.00276 -0.00179 130 4XX 0.00274 -0.00251 0.00452 -0.00057 -0.00301 131 4YY -0.00101 0.00075 -0.00057 0.00206 0.00370 132 4ZZ -0.00388 0.00435 -0.01134 -0.00485 0.00151 133 4XY -0.00161 0.00160 -0.00352 -0.00123 -0.00055 134 4XZ -0.00118 0.00124 -0.00291 -0.00075 0.00105 135 4YZ -0.00025 0.00039 -0.00137 -0.00104 -0.00026 136 10 C 1S -0.00616 0.01026 -0.04083 -0.04952 -0.05505 137 2S 0.01198 -0.02042 0.08249 0.10118 0.11295 138 2PX 0.00425 -0.00724 0.03640 0.07708 0.13260 139 2PY 0.02931 -0.03416 0.09742 0.06077 0.01493 140 2PZ -0.00519 0.00646 -0.02125 -0.02301 -0.02599 141 3S 0.01147 -0.01533 0.05487 0.06894 0.07864 142 3PX -0.00161 0.00112 -0.00027 0.00956 0.02682 143 3PY 0.00422 -0.00501 0.01550 0.01515 0.01089 144 3PZ -0.00036 0.00056 -0.00229 -0.00397 -0.00647 145 4XX -0.00028 0.00039 -0.00092 0.00138 0.00517 146 4YY 0.00138 -0.00147 0.00330 -0.00065 -0.00551 147 4ZZ -0.00045 0.00081 -0.00329 -0.00388 -0.00407 148 4XY -0.00286 0.00320 -0.00907 -0.00741 -0.00671 149 4XZ 0.00042 -0.00041 0.00093 0.00006 -0.00088 150 4YZ 0.00021 -0.00019 0.00051 0.00078 0.00146 151 11 C 1S -0.00350 0.00716 -0.03762 -0.07951 -0.13779 152 2S 0.00643 -0.01332 0.07077 0.15121 0.26328 153 2PX -0.00152 0.00319 -0.01481 -0.02039 -0.02258 154 2PY 0.00322 -0.00457 0.01651 0.01745 0.01572 155 2PZ -0.00022 0.00012 0.00015 0.00101 0.00166 156 3S 0.00615 -0.01248 0.06593 0.14091 0.24491 157 3PX -0.00032 0.00063 -0.00276 -0.00295 -0.00087 158 3PY 0.00158 -0.00196 0.00616 0.00634 0.00762 159 3PZ -0.00018 0.00018 -0.00044 -0.00046 -0.00099 160 4XX -0.00005 -0.00008 0.00058 0.00041 -0.00052 161 4YY -0.00001 0.00002 -0.00003 0.00014 0.00047 162 4ZZ -0.00007 0.00010 -0.00031 -0.00010 0.00034 163 4XY -0.00036 0.00049 -0.00164 -0.00122 -0.00039 164 4XZ 0.00005 -0.00004 0.00007 0.00009 0.00025 165 4YZ 0.00006 -0.00008 0.00025 0.00018 0.00005 166 12 H 1S 0.00079 -0.00243 0.01612 0.04261 0.08161 167 2S 0.00019 -0.00025 0.00152 0.00698 0.01715 168 13 H 1S 0.00225 -0.00442 0.02308 0.04982 0.08796 169 2S 0.00024 -0.00056 0.00361 0.00980 0.01894 170 14 H 1S 0.00225 -0.00442 0.02308 0.04981 0.08795 171 2S 0.00023 -0.00056 0.00360 0.00982 0.01892 172 15 O 1S 0.01233 -0.01363 0.03927 0.03501 0.03509 173 2S -0.02799 0.03081 -0.08822 -0.07871 -0.08026 174 2PX -0.00800 0.00699 -0.01197 0.00591 0.02285 175 2PY -0.00044 -0.00033 0.00216 -0.00245 -0.01303 176 2PZ 0.00151 -0.00121 0.00183 -0.00070 -0.00212 177 3S -0.02798 0.03183 -0.09499 -0.08632 -0.08216 178 3PX -0.00353 0.00266 -0.00227 0.00722 0.01469 179 3PY 0.00045 -0.00087 0.00299 0.00122 -0.00157 180 3PZ 0.00057 -0.00036 -0.00004 -0.00149 -0.00240 181 4XX -0.00010 0.00004 0.00051 0.00206 0.00361 182 4YY 0.00061 -0.00078 0.00240 0.00119 -0.00090 183 4ZZ -0.00006 0.00001 0.00026 0.00031 -0.00011 184 4XY -0.00063 0.00039 -0.00005 0.00117 0.00170 185 4XZ 0.00011 -0.00007 -0.00006 -0.00056 -0.00106 186 4YZ 0.00000 0.00007 -0.00037 -0.00039 -0.00020 187 16 H 1S 0.01716 -0.02139 0.06378 0.03744 0.00071 188 2S 0.00023 -0.00186 0.00960 0.00811 0.00274 189 17 H 1S 0.03589 -0.03196 0.05600 -0.00849 -0.03845 190 2S 0.00633 -0.00398 0.00282 -0.00378 -0.00156 191 18 H 1S 0.04233 -0.02459 0.01251 -0.02389 -0.02149 192 2S -0.00056 0.00169 -0.00247 0.00207 -0.00397 193 19 C 1S -0.06775 0.02532 0.04376 0.05447 -0.08113 194 2S 0.12716 -0.04734 -0.08339 -0.10379 0.15580 195 2PX 0.00713 -0.00751 0.00623 -0.01293 -0.00267 196 2PY -0.04406 0.01356 0.02246 0.01343 -0.01329 197 2PZ 0.00460 -0.00142 -0.00381 -0.00167 0.00350 198 3S 0.09693 -0.04043 -0.06595 -0.09337 0.14179 199 3PX 0.00142 -0.00211 0.00254 -0.00421 -0.00088 200 3PY -0.00513 0.00220 -0.00028 -0.00222 0.00359 201 3PZ 0.00065 0.00045 -0.00021 0.00094 -0.00051 202 4XX -0.00085 0.00010 0.00089 -0.00022 -0.00021 203 4YY 0.00480 -0.00138 -0.00208 -0.00067 0.00017 204 4ZZ -0.00193 0.00080 0.00044 0.00079 -0.00001 205 4XY -0.00131 0.00090 -0.00034 0.00116 0.00027 206 4XZ -0.00000 0.00007 -0.00006 0.00017 -0.00009 207 4YZ -0.00090 0.00031 0.00044 0.00032 -0.00026 208 20 H 1S 0.03473 -0.01564 -0.01929 -0.03666 0.04826 209 2S 0.00555 -0.00353 0.00075 -0.00642 0.00711 210 21 H 1S 0.03479 -0.01176 -0.02648 -0.02934 0.05138 211 2S 0.00534 -0.00011 -0.00523 -0.00210 0.00930 212 22 H 1S 0.03411 -0.01247 -0.02600 -0.03102 0.05233 213 2S 0.00443 -0.00159 -0.00490 -0.00511 0.01159 214 23 H 1S 0.04475 0.00841 -0.03828 0.03794 -0.00419 215 2S 0.00675 0.00252 -0.00600 0.00629 0.00021 216 24 H 1S 0.04502 0.00702 -0.03608 0.03812 -0.01069 217 2S 0.00588 0.00070 -0.00334 0.00646 -0.00480 218 25 H 1S 0.03360 0.02823 -0.02314 0.06035 -0.03162 219 2S 0.00508 0.00262 -0.00366 0.00997 -0.00644 220 26 H 1S 0.03450 0.03263 -0.02163 0.05772 -0.02831 221 2S 0.00625 0.00635 -0.00291 0.00498 -0.00016 222 27 H 1S 0.02204 0.04840 0.00681 0.02364 -0.01963 223 2S 0.00210 0.00630 0.00055 0.00407 -0.00301 224 28 C 1S -0.02005 -0.07403 -0.03992 0.04959 -0.02544 225 2S 0.03729 0.13874 0.07552 -0.09497 0.04900 226 2PX 0.00736 0.01938 0.00536 0.00337 -0.00449 227 2PY -0.01146 -0.04055 -0.02018 0.01995 -0.00809 228 2PZ 0.00254 0.00946 0.00501 -0.00565 0.00257 229 3S 0.02955 0.11155 0.06160 -0.08120 0.04334 230 3PX 0.00175 0.00480 0.00082 0.00260 -0.00233 231 3PY -0.00225 -0.00546 -0.00102 -0.00099 0.00069 232 3PZ 0.00079 0.00102 -0.00003 -0.00006 0.00026 233 4XX 0.00021 0.00013 -0.00027 0.00085 -0.00053 234 4YY 0.00107 0.00364 0.00170 -0.00144 0.00051 235 4ZZ -0.00066 -0.00193 -0.00067 0.00009 0.00015 236 4XY -0.00099 -0.00288 -0.00102 0.00017 0.00024 237 4XZ 0.00018 0.00056 0.00022 -0.00009 -0.00002 238 4YZ -0.00050 -0.00161 -0.00070 0.00051 -0.00014 239 29 H 1S 0.01125 0.03883 0.01975 -0.02358 0.01228 240 2S 0.00319 0.00689 0.00105 0.00143 -0.00057 241 30 H 1S 0.00955 0.03787 0.02220 -0.03119 0.01706 242 2S 0.00127 0.00542 0.00365 -0.00660 0.00412 243 31 H 1S 0.00956 0.03796 0.02225 -0.03128 0.01713 244 2S 0.00106 0.00566 0.00394 -0.00660 0.00393 245 32 H 1S 0.00913 0.03671 0.02189 -0.03123 0.01679 246 2S 0.00181 0.00615 0.00348 -0.00525 0.00300 247 33 H 1S 0.00860 0.03629 0.02282 -0.03520 0.01978 248 2S 0.00090 0.00511 0.00402 -0.00777 0.00479 249 34 H 1S 0.00859 0.03630 0.02284 -0.03524 0.01978 250 2S 0.00089 0.00512 0.00404 -0.00780 0.00481 21 22 23 24 25 O O O O O Eigenvalues -- -0.69215 -0.68971 -0.67445 -0.62242 -0.59400 1 1 C 1S 0.02881 0.12264 0.07658 -0.05894 0.02919 2 2S -0.05598 -0.23677 -0.14930 0.11638 -0.05796 3 2PX 0.00751 -0.00739 0.03001 -0.05694 0.03990 4 2PY -0.00273 0.02146 0.00087 -0.02344 0.02206 5 2PZ 0.00000 -0.00520 -0.00315 0.01115 -0.00843 6 3S -0.05213 -0.23058 -0.14336 0.12192 -0.06376 7 3PX 0.00408 -0.00180 0.01421 -0.02444 0.01678 8 3PY -0.00039 0.01081 0.00019 -0.00317 0.00397 9 3PZ -0.00033 -0.00285 -0.00124 0.00257 -0.00191 10 4XX 0.00082 -0.00128 0.00270 -0.00360 0.00204 11 4YY -0.00011 0.00226 0.00009 -0.00086 0.00078 12 4ZZ -0.00043 -0.00004 -0.00163 0.00290 -0.00199 13 4XY 0.00073 0.00260 0.00289 -0.00481 0.00325 14 4XZ -0.00034 -0.00061 -0.00126 0.00199 -0.00128 15 4YZ -0.00020 -0.00104 -0.00090 0.00174 -0.00119 16 2 C 1S -0.00237 0.00672 -0.02356 0.05843 -0.03912 17 2S 0.00486 -0.01406 0.04762 -0.11912 0.08015 18 2PX 0.05073 -0.01372 0.13873 -0.12050 0.05316 19 2PY -0.00222 0.15586 -0.00526 0.02073 -0.01387 20 2PZ -0.00439 -0.04110 -0.01243 0.00379 0.00373 21 3S 0.00469 -0.00292 0.03991 -0.09338 0.06424 22 3PX 0.01149 0.00217 0.02762 -0.01071 0.00030 23 3PY -0.00049 0.02262 0.00137 -0.00200 0.00083 24 3PZ -0.00080 -0.00625 -0.00388 0.00188 0.00085 25 4XX 0.00169 -0.00415 0.00384 -0.00084 -0.00062 26 4YY -0.00265 0.00534 -0.00696 0.00637 -0.00318 27 4ZZ -0.00041 0.00044 -0.00253 0.00523 -0.00339 28 4XY -0.00134 -0.01087 -0.00464 0.00526 -0.00297 29 4XZ 0.00011 0.00344 0.00035 -0.00092 0.00105 30 4YZ 0.00088 -0.00060 0.00196 -0.00092 0.00024 31 3 C 1S -0.03972 0.02890 -0.10202 0.06121 -0.01762 32 2S 0.07764 -0.05610 0.20030 -0.12095 0.03460 33 2PX 0.00315 0.01664 -0.02765 0.12710 -0.09070 34 2PY 0.00843 0.03813 0.00503 0.04072 -0.03286 35 2PZ -0.00499 -0.01178 -0.00701 -0.02663 0.03380 36 3S 0.06263 -0.05001 0.16135 -0.11377 0.03818 37 3PX 0.00604 0.00929 0.00666 0.02780 -0.02463 38 3PY -0.00033 0.01452 -0.01018 0.01733 -0.00896 39 3PZ -0.00179 -0.00501 0.00064 -0.00961 0.01157 40 4XX -0.00033 -0.00116 -0.00087 0.00013 0.00062 41 4YY 0.00058 0.00066 -0.00013 0.00306 -0.00228 42 4ZZ -0.00344 0.00260 -0.00893 0.00582 -0.00207 43 4XY 0.00024 -0.00201 -0.00245 0.00805 -0.00518 44 4XZ -0.00069 0.00094 -0.00104 -0.00199 0.00271 45 4YZ -0.00157 0.00092 -0.00338 -0.00006 0.00167 46 4 C 1S -0.02220 -0.00359 -0.01168 -0.09079 0.07053 47 2S 0.04342 0.00801 0.02274 0.18197 -0.14305 48 2PX -0.03514 0.00151 -0.08487 0.02048 0.01983 49 2PY -0.00943 0.01415 -0.04693 0.02497 -0.00122 50 2PZ -0.01438 -0.00254 -0.03605 -0.04044 0.08584 51 3S 0.03877 -0.00424 0.02466 0.17710 -0.14468 52 3PX -0.00267 -0.00214 -0.02669 0.01525 0.00405 53 3PY -0.00164 0.00462 -0.00764 0.00874 -0.00631 54 3PZ -0.00470 0.00024 -0.00819 -0.01842 0.02920 55 4XX -0.00040 0.00008 0.00208 -0.00630 0.00330 56 4YY 0.00171 -0.00051 0.00279 0.00088 -0.00283 57 4ZZ -0.00245 -0.00004 -0.00550 -0.00083 0.00429 58 4XY 0.00114 -0.00154 0.00356 -0.00655 0.00436 59 4XZ -0.00294 0.00057 -0.00691 -0.00215 0.00600 60 4YZ -0.00085 0.00024 -0.00268 0.00041 0.00056 61 5 C 1S 0.04368 -0.00417 0.09813 0.02568 -0.07902 62 2S -0.08350 0.00767 -0.19194 -0.05208 0.15969 63 2PX -0.04279 -0.00120 -0.00879 -0.08238 -0.00227 64 2PY 0.01277 0.00259 -0.01337 -0.02263 0.00251 65 2PZ -0.01080 -0.00108 -0.01547 -0.05751 0.08445 66 3S -0.09200 0.01057 -0.18381 -0.05047 0.16423 67 3PX -0.01869 0.00134 0.00408 -0.02940 -0.00747 68 3PY 0.00848 0.00013 -0.00311 0.00081 0.00312 69 3PZ -0.00177 -0.00268 -0.00973 -0.01696 0.03200 70 4XX -0.00221 -0.00010 0.00435 -0.00207 -0.00562 71 4YY 0.00136 -0.00021 -0.00074 -0.00245 0.00357 72 4ZZ 0.00248 0.00024 0.00159 0.00600 -0.00328 73 4XY 0.00092 -0.00023 0.00274 -0.00135 -0.00440 74 4XZ 0.00237 0.00017 0.00239 0.00669 -0.00537 75 4YZ 0.00086 -0.00007 0.00024 0.00164 0.00043 76 6 C 1S 0.03417 0.00081 -0.00105 0.05595 0.02775 77 2S -0.06966 -0.00164 0.00139 -0.11519 -0.05703 78 2PX -0.06930 -0.00522 0.12470 0.01204 -0.11562 79 2PY 0.15217 -0.00220 0.02379 0.05527 0.01159 80 2PZ -0.01250 0.00083 -0.02607 -0.02592 0.03651 81 3S -0.04139 -0.00163 0.00951 -0.08818 -0.05174 82 3PX -0.01054 0.00034 0.03054 0.01978 -0.02454 83 3PY 0.00989 0.00060 0.00989 -0.00140 -0.00886 84 3PZ 0.00043 0.00007 -0.00763 -0.00733 0.01238 85 4XX -0.00689 0.00013 -0.00014 0.00216 0.00179 86 4YY 0.01057 -0.00016 -0.00112 0.00202 0.00179 87 4ZZ 0.00283 0.00011 -0.00064 0.00441 0.00276 88 4XY -0.00049 0.00028 -0.00785 -0.00036 0.00773 89 4XZ 0.00228 -0.00003 0.00118 0.00198 -0.00267 90 4YZ -0.00115 -0.00002 0.00154 0.00120 -0.00201 91 7 C 1S 0.09239 0.00265 -0.07393 -0.00470 0.05285 92 2S -0.18199 -0.00516 0.14751 0.01067 -0.10642 93 2PX 0.05041 0.00062 0.00869 0.10877 0.08872 94 2PY 0.00628 -0.00155 0.03326 0.02892 0.01660 95 2PZ -0.01005 0.00003 -0.00702 -0.02754 -0.01343 96 3S -0.14847 -0.00418 0.11136 -0.00252 -0.09449 97 3PX 0.02429 0.00088 0.00633 0.03714 0.02542 98 3PY 0.01542 -0.00022 -0.00822 0.00418 0.01820 99 3PZ -0.00721 -0.00014 0.00025 -0.00972 -0.00523 100 4XX 0.00013 0.00015 -0.00311 -0.00101 0.00393 101 4YY 0.00021 -0.00008 0.00189 0.00133 -0.00094 102 4ZZ 0.00821 0.00026 -0.00631 -0.00009 0.00461 103 4XY 0.00115 0.00014 -0.00039 0.00649 0.00767 104 4XZ 0.00159 0.00002 -0.00065 -0.00039 -0.00172 105 4YZ 0.00132 0.00003 -0.00147 -0.00158 -0.00030 106 8 C 1S -0.01326 -0.00025 -0.01194 -0.06777 -0.08093 107 2S 0.02790 0.00058 0.02456 0.13964 0.16713 108 2PX 0.09611 0.00416 -0.11241 -0.05377 0.04790 109 2PY 0.01158 -0.00040 0.00514 0.03348 0.07080 110 2PZ -0.01925 -0.00070 0.01957 0.00399 -0.01852 111 3S 0.00017 0.00037 0.01434 0.11158 0.14838 112 3PX 0.01906 0.00183 -0.03724 -0.01683 0.01965 113 3PY 0.00933 -0.00006 0.01146 0.02800 0.03181 114 3PZ -0.00469 -0.00036 0.00493 -0.00107 -0.00813 115 4XX -0.00177 -0.00003 0.00039 -0.00445 -0.00673 116 4YY 0.00002 -0.00002 0.00067 0.00250 0.00316 117 4ZZ -0.00128 -0.00002 -0.00076 -0.00545 -0.00655 118 4XY -0.00635 -0.00024 0.00621 0.00315 -0.00106 119 4XZ 0.00113 0.00004 -0.00126 -0.00071 0.00003 120 4YZ 0.00097 0.00005 -0.00144 -0.00204 -0.00160 121 9 C 1S -0.06105 -0.00270 0.06967 0.05449 0.02965 122 2S 0.11931 0.00538 -0.13894 -0.11049 -0.06024 123 2PX -0.01234 -0.00045 -0.00813 -0.07882 -0.11262 124 2PY 0.01584 0.00037 0.00196 0.07312 0.14402 125 2PZ -0.00020 0.00002 0.00120 0.00308 -0.00132 126 3S 0.10802 0.00372 -0.10062 -0.09280 -0.07124 127 3PX -0.00141 0.00063 -0.01792 -0.03018 -0.02630 128 3PY 0.00265 -0.00019 -0.00078 0.01117 0.03189 129 3PZ -0.00024 -0.00007 0.00340 0.00367 -0.00006 130 4XX 0.00003 -0.00002 0.00146 0.00460 0.00555 131 4YY 0.00037 0.00001 -0.00111 -0.00398 -0.00573 132 4ZZ -0.00550 -0.00023 0.00586 0.00422 0.00224 133 4XY 0.00004 0.00004 -0.00117 -0.00328 -0.00354 134 4XZ -0.00123 -0.00005 0.00118 0.00052 -0.00012 135 4YZ -0.00110 -0.00005 0.00150 0.00209 0.00208 136 10 C 1S -0.00343 -0.00023 0.01441 0.04283 0.06367 137 2S 0.00782 0.00051 -0.03052 -0.09188 -0.13827 138 2PX -0.04870 -0.00206 0.04361 0.02436 0.01342 139 2PY 0.04758 0.00236 -0.06963 -0.10843 -0.13240 140 2PZ 0.00150 0.00001 0.00275 0.01205 0.01771 141 3S 0.00227 0.00032 -0.02479 -0.07583 -0.11145 142 3PX -0.00670 -0.00045 0.01113 -0.00065 -0.01272 143 3PY 0.00727 0.00032 -0.01521 -0.02804 -0.03415 144 3PZ 0.00013 0.00003 0.00030 0.00441 0.00749 145 4XX -0.00460 -0.00019 0.00526 0.00673 0.00758 146 4YY 0.00432 0.00019 -0.00468 -0.00309 -0.00060 147 4ZZ -0.00046 -0.00002 0.00134 0.00324 0.00447 148 4XY 0.00018 -0.00002 0.00085 0.00177 0.00244 149 4XZ 0.00083 0.00004 -0.00094 -0.00100 -0.00104 150 4YZ -0.00086 -0.00003 0.00089 0.00078 0.00044 151 11 C 1S 0.05461 0.00232 -0.05270 -0.04675 -0.04661 152 2S -0.10558 -0.00447 0.10229 0.09206 0.09253 153 2PX -0.00534 -0.00027 0.01282 0.03905 0.06263 154 2PY 0.00577 0.00032 -0.01224 -0.03032 -0.04423 155 2PZ 0.00008 -0.00000 -0.00044 -0.00239 -0.00448 156 3S -0.10356 -0.00440 0.10037 0.09931 0.10624 157 3PX -0.00265 -0.00011 0.00545 0.01173 0.01776 158 3PY 0.00169 0.00003 -0.00291 -0.01147 -0.01873 159 3PZ 0.00020 0.00002 -0.00053 -0.00039 -0.00035 160 4XX 0.00147 0.00007 -0.00207 -0.00382 -0.00538 161 4YY -0.00058 -0.00002 0.00075 0.00164 0.00260 162 4ZZ -0.00071 -0.00003 0.00093 0.00169 0.00234 163 4XY -0.00123 -0.00006 0.00182 0.00348 0.00481 164 4XZ -0.00027 -0.00001 0.00035 0.00061 0.00087 165 4YZ 0.00019 0.00001 -0.00029 -0.00061 -0.00090 166 12 H 1S -0.03944 -0.00171 0.04208 0.05007 0.05977 167 2S -0.01019 -0.00049 0.01268 0.01814 0.02420 168 13 H 1S -0.03728 -0.00158 0.03708 0.03768 0.04195 169 2S -0.00985 -0.00041 0.01044 0.01370 0.01791 170 14 H 1S -0.03728 -0.00158 0.03709 0.03768 0.04197 171 2S -0.00983 -0.00042 0.01044 0.01374 0.01794 172 15 O 1S -0.00084 0.00006 -0.00522 -0.01801 -0.02866 173 2S 0.00260 -0.00009 0.01077 0.04160 0.06743 174 2PX -0.00811 -0.00049 0.01015 0.00718 0.00392 175 2PY 0.01295 0.00061 -0.01738 -0.03199 -0.04947 176 2PZ -0.00053 -0.00001 0.00083 0.00353 0.00685 177 3S 0.00104 -0.00034 0.01720 0.04767 0.07469 178 3PX -0.00214 -0.00019 0.00227 0.00064 -0.00018 179 3PY 0.00551 0.00023 -0.00725 -0.01833 -0.03111 180 3PZ -0.00048 -0.00000 0.00071 0.00263 0.00478 181 4XX -0.00172 -0.00006 0.00142 0.00146 0.00155 182 4YY 0.00197 0.00010 -0.00279 -0.00405 -0.00539 183 4ZZ 0.00024 0.00002 -0.00033 0.00040 0.00111 184 4XY 0.00054 0.00001 -0.00071 -0.00167 -0.00252 185 4XZ 0.00032 0.00002 -0.00025 0.00007 0.00035 186 4YZ -0.00040 -0.00002 0.00056 0.00110 0.00164 187 16 H 1S 0.04195 0.00183 -0.05140 -0.04922 -0.02370 188 2S 0.01096 0.00040 -0.01194 -0.01366 -0.00579 189 17 H 1S 0.01702 -0.00009 0.01235 0.07006 0.09882 190 2S 0.01134 -0.00019 0.00146 0.02273 0.04087 191 18 H 1S -0.06322 -0.00115 0.03713 -0.00739 -0.04550 192 2S -0.01011 -0.00018 -0.00108 -0.00375 -0.00632 193 19 C 1S -0.13839 0.00246 -0.01198 -0.02512 -0.00228 194 2S 0.26783 -0.00472 0.02347 0.04926 0.00402 195 2PX -0.01468 -0.00136 0.02456 0.00199 -0.01756 196 2PY 0.03005 -0.00042 0.00834 0.04180 0.01331 197 2PZ -0.00288 -0.00003 -0.00606 -0.01417 0.01097 198 3S 0.27110 -0.00479 0.01908 0.05645 0.01119 199 3PX -0.00777 -0.00095 0.01016 -0.00149 -0.00980 200 3PY 0.00805 0.00031 0.00533 0.00456 -0.00307 201 3PZ -0.00069 -0.00037 -0.00203 -0.00311 0.00436 202 4XX 0.00167 -0.00004 0.00143 0.00239 -0.00024 203 4YY -0.00557 0.00004 -0.00092 -0.00429 -0.00157 204 4ZZ 0.00217 0.00004 -0.00065 0.00100 0.00103 205 4XY 0.00265 0.00011 -0.00154 0.00142 0.00184 206 4XZ -0.00019 0.00003 -0.00007 0.00012 -0.00075 207 4YZ 0.00084 0.00000 0.00035 0.00115 -0.00043 208 20 H 1S 0.09815 -0.00223 0.01998 0.03478 0.00228 209 2S 0.02780 -0.00069 0.00745 0.02243 0.00954 210 21 H 1S 0.10154 -0.00094 0.00397 0.02783 0.00234 211 2S 0.02784 -0.00109 0.00145 0.01575 -0.00324 212 22 H 1S 0.10012 -0.00151 0.00298 0.01973 0.01230 213 2S 0.02722 -0.00021 -0.00120 0.00747 0.00862 214 23 H 1S -0.02026 0.00315 -0.07193 -0.02359 0.09101 215 2S -0.00346 0.00276 -0.01772 -0.01151 0.03675 216 24 H 1S -0.04041 0.00116 -0.06470 -0.02974 0.07208 217 2S -0.01005 -0.00070 -0.01468 -0.00920 0.02717 218 25 H 1S 0.01249 0.00151 0.00853 0.07968 -0.07893 219 2S 0.00013 0.00224 0.00461 0.02542 -0.03472 220 26 H 1S 0.01992 0.01154 0.00672 0.08253 -0.07250 221 2S 0.01153 0.01220 -0.00122 0.03232 -0.02846 222 27 H 1S 0.02358 -0.03324 0.06456 -0.04833 0.01908 223 2S 0.00434 -0.01257 0.01148 -0.01329 0.00842 224 28 C 1S 0.01798 -0.15370 0.03637 -0.02633 0.01156 225 2S -0.03517 0.29718 -0.07152 0.05225 -0.02296 226 2PX 0.00948 -0.00151 0.02756 -0.02987 0.01479 227 2PY 0.00178 0.02303 -0.00279 0.02739 -0.02341 228 2PZ -0.00146 -0.00599 -0.00206 -0.00514 0.00648 229 3S -0.03202 0.29044 -0.06785 0.05500 -0.02580 230 3PX 0.00445 -0.00265 0.01228 -0.01338 0.00674 231 3PY -0.00004 0.01067 0.00051 0.00021 -0.00144 232 3PZ -0.00046 -0.00238 -0.00204 0.00060 0.00191 233 4XX 0.00059 0.00121 0.00145 -0.00053 -0.00015 234 4YY 0.00003 -0.00376 0.00063 -0.00240 0.00179 235 4ZZ -0.00051 0.00098 -0.00148 0.00174 -0.00089 236 4XY -0.00080 0.00283 -0.00262 0.00385 -0.00241 237 4XZ 0.00011 -0.00075 0.00043 -0.00085 0.00060 238 4YZ -0.00008 0.00133 -0.00043 0.00105 -0.00075 239 29 H 1S -0.00843 0.11248 -0.01839 0.02371 -0.01625 240 2S -0.00158 0.03116 -0.00607 0.01847 -0.01408 241 30 H 1S -0.01436 0.10492 -0.03200 0.02892 -0.01476 242 2S -0.00430 0.02712 -0.01124 0.01254 -0.00667 243 31 H 1S -0.01452 0.10496 -0.03251 0.02900 -0.01394 244 2S -0.00443 0.02700 -0.01077 0.01271 -0.00742 245 32 H 1S -0.01709 -0.09243 -0.04769 0.04221 -0.02382 246 2S -0.00384 -0.02522 -0.01211 0.01519 -0.01034 247 33 H 1S -0.02132 -0.08000 -0.06028 0.05808 -0.03263 248 2S -0.00603 -0.01973 -0.01825 0.02155 -0.01342 249 34 H 1S -0.02128 -0.07998 -0.06005 0.05810 -0.03325 250 2S -0.00600 -0.01974 -0.01811 0.02131 -0.01354 26 27 28 29 30 O O O O O Eigenvalues -- -0.53583 -0.51615 -0.50526 -0.48135 -0.46481 1 1 C 1S 0.00119 0.02215 0.00026 -0.01234 0.01640 2 2S -0.00259 -0.04442 -0.00055 0.02423 -0.03290 3 2PX 0.00359 0.05783 0.00016 -0.01901 0.07175 4 2PY 0.00638 0.11100 0.00326 -0.11297 0.10901 5 2PZ -0.00445 -0.03564 0.00094 0.03181 -0.04913 6 3S -0.00183 -0.05251 -0.00048 0.03126 -0.04175 7 3PX 0.00159 0.02044 -0.00009 -0.00184 0.03073 8 3PY 0.00137 0.03379 0.00123 -0.04728 0.05080 9 3PZ -0.00182 -0.01150 0.00044 0.01251 -0.02261 10 4XX 0.00010 0.00043 -0.00004 0.00145 -0.00031 11 4YY 0.00012 0.00252 0.00009 -0.00136 0.00138 12 4ZZ -0.00008 -0.00216 -0.00002 0.00055 -0.00309 13 4XY 0.00074 0.00877 0.00019 -0.00602 0.00570 14 4XZ -0.00026 -0.00272 -0.00005 0.00158 -0.00157 15 4YZ -0.00030 -0.00251 0.00004 0.00121 -0.00259 16 2 C 1S -0.01072 -0.09808 -0.00191 0.04192 -0.01865 17 2S 0.02308 0.20812 0.00391 -0.08970 0.04183 18 2PX 0.00523 -0.02914 -0.00150 0.10998 -0.13003 19 2PY 0.00414 0.04125 0.00329 -0.03070 -0.06694 20 2PZ -0.00895 -0.01021 0.00349 -0.00201 0.01005 21 3S 0.01579 0.17741 0.00328 -0.10090 0.04301 22 3PX -0.00133 -0.02979 -0.00044 0.02605 -0.03365 23 3PY 0.00110 0.00993 0.00062 -0.00136 -0.02514 24 3PZ -0.00213 -0.00005 0.00121 -0.00156 0.00191 25 4XX -0.00058 -0.00568 -0.00003 0.00204 -0.00152 26 4YY -0.00088 -0.00612 -0.00019 0.00231 -0.00003 27 4ZZ -0.00069 -0.00696 -0.00018 0.00286 -0.00110 28 4XY 0.00090 0.00418 0.00020 -0.00042 -0.00518 29 4XZ -0.00091 -0.00140 0.00023 0.00018 0.00068 30 4YZ -0.00003 -0.00070 -0.00000 0.00026 0.00010 31 3 C 1S 0.00731 0.06862 0.00197 -0.02865 0.00491 32 2S -0.01492 -0.14246 -0.00432 0.05816 -0.01088 33 2PX -0.02710 -0.17487 -0.00188 -0.02044 0.04770 34 2PY 0.02586 0.13837 0.00799 -0.02106 -0.16272 35 2PZ -0.02599 -0.02631 0.00842 0.00523 0.00603 36 3S -0.01101 -0.12330 -0.00321 0.06863 0.00261 37 3PX -0.00875 -0.05772 -0.00039 -0.01710 0.02355 38 3PY 0.00840 0.05785 0.00446 -0.01241 -0.05083 39 3PZ -0.01210 -0.01298 0.00466 0.00200 -0.00613 40 4XX 0.00091 0.00903 0.00005 -0.00561 0.00276 41 4YY -0.00075 -0.00789 -0.00004 0.00341 0.00190 42 4ZZ 0.00068 0.00452 -0.00008 -0.00237 0.00089 43 4XY 0.00060 0.00172 0.00034 -0.00089 -0.00200 44 4XZ -0.00199 -0.00133 0.00066 0.00020 -0.00132 45 4YZ -0.00073 0.00415 0.00071 -0.00166 -0.00211 46 4 C 1S -0.02077 -0.02598 0.00225 0.01237 -0.00345 47 2S 0.04276 0.05298 -0.00444 -0.02730 0.00799 48 2PX -0.00554 0.03503 -0.00451 -0.06886 0.16495 49 2PY 0.03769 0.16655 0.01176 0.07441 -0.11050 50 2PZ -0.08495 -0.05071 0.03537 -0.00460 -0.07995 51 3S 0.04853 0.05445 -0.00576 -0.02307 0.00261 52 3PX -0.00097 0.01668 -0.00134 -0.02609 0.08941 53 3PY 0.01992 0.06975 0.00294 0.02577 -0.04636 54 3PZ -0.03138 -0.02099 0.00907 0.00044 -0.03817 55 4XX 0.00082 -0.00088 -0.00082 0.00018 0.00020 56 4YY 0.00259 -0.00011 -0.00061 0.00492 -0.00177 57 4ZZ -0.00389 0.00011 0.00105 -0.00383 0.00240 58 4XY -0.00201 -0.00843 0.00057 0.00363 -0.00044 59 4XZ -0.00323 0.00269 0.00138 0.00031 -0.00371 60 4YZ 0.00078 0.00129 -0.00004 -0.00062 0.00537 61 5 C 1S 0.04417 -0.00353 -0.01430 0.01291 0.00734 62 2S -0.08974 0.00629 0.02845 -0.02443 -0.01238 63 2PX 0.08460 -0.02311 -0.05241 0.00659 0.11153 64 2PY 0.08921 0.07442 0.01679 0.18979 -0.03210 65 2PZ -0.08179 -0.04130 0.02403 0.00368 -0.12419 66 3S -0.11014 0.01982 0.04749 -0.04168 -0.02788 67 3PX 0.02802 -0.00239 -0.02423 -0.01068 0.03855 68 3PY 0.02273 0.03775 0.01116 0.08813 -0.01540 69 3PZ -0.02847 -0.01592 0.01244 0.00361 -0.04657 70 4XX 0.00564 -0.00112 -0.00148 0.00107 -0.00333 71 4YY -0.00241 -0.00359 0.00011 -0.00087 0.00231 72 4ZZ -0.00027 0.00346 0.00143 -0.00030 -0.00045 73 4XY 0.00890 -0.00126 -0.00030 0.00635 0.00633 74 4XZ 0.00018 0.00075 -0.00091 -0.00410 0.00218 75 4YZ -0.00219 -0.00063 0.00144 0.00151 -0.00282 76 6 C 1S -0.09720 0.01556 -0.01093 -0.03780 -0.01799 77 2S 0.20588 -0.03197 0.02334 0.08121 0.03872 78 2PX 0.00948 -0.06421 0.02251 -0.15532 -0.09823 79 2PY 0.01200 0.00604 0.07550 0.10315 -0.01039 80 2PZ -0.02085 -0.00790 -0.00903 0.02126 -0.03060 81 3S 0.19226 -0.03633 0.02042 0.10635 0.05305 82 3PX -0.01958 -0.00141 0.01670 -0.03457 -0.03373 83 3PY -0.00666 0.00216 0.02967 0.00833 -0.00462 84 3PZ -0.00439 -0.00881 -0.00497 0.00844 -0.01559 85 4XX -0.00515 0.00289 0.00341 0.00017 -0.00358 86 4YY -0.00667 -0.00114 -0.00480 -0.00387 0.00203 87 4ZZ -0.00725 0.00138 -0.00060 -0.00243 -0.00145 88 4XY 0.00017 -0.00007 0.00526 -0.00103 0.00283 89 4XZ 0.00095 0.00095 -0.00210 -0.00085 0.00240 90 4YZ 0.00046 0.00062 -0.00036 0.00011 0.00012 91 7 C 1S 0.05272 -0.00926 0.02662 0.01686 0.02444 92 2S -0.11033 0.01979 -0.05158 -0.03422 -0.05177 93 2PX -0.18595 0.07947 0.03784 0.11040 0.02173 94 2PY 0.09996 -0.03417 0.19689 -0.00199 -0.02622 95 2PZ 0.01179 -0.01474 -0.03523 -0.01566 -0.02029 96 3S -0.09487 0.01870 -0.07633 -0.03209 -0.05448 97 3PX -0.03182 0.02380 0.00216 0.06269 -0.00068 98 3PY 0.05486 -0.01780 0.05056 -0.00155 -0.02159 99 3PZ -0.00470 -0.00375 -0.00706 -0.00871 -0.00814 100 4XX 0.00562 0.00016 0.00144 0.00526 0.00595 101 4YY -0.00484 0.00067 -0.00390 -0.00216 -0.00231 102 4ZZ 0.00350 -0.00051 0.00252 0.00136 0.00150 103 4XY -0.00635 0.00252 0.00470 0.00061 0.00090 104 4XZ 0.00120 -0.00007 -0.00074 -0.00132 0.00050 105 4YZ 0.00260 -0.00091 0.00038 0.00061 -0.00009 106 8 C 1S -0.00055 -0.00797 -0.03659 -0.02184 -0.02208 107 2S 0.00174 0.01711 0.07828 0.04907 0.04748 108 2PX 0.14342 -0.03746 -0.15575 0.01209 0.06988 109 2PY 0.14104 -0.06379 0.15221 -0.14304 -0.06599 110 2PZ -0.04916 0.01505 0.00544 0.02079 -0.00964 111 3S -0.02356 0.02568 0.06720 0.03415 0.05047 112 3PX 0.04932 -0.00358 -0.07995 0.01800 0.01098 113 3PY 0.05173 -0.01981 0.06547 -0.03065 -0.02259 114 3PZ -0.01778 0.00279 0.00472 0.00175 -0.00150 115 4XX 0.00221 -0.00141 -0.00649 -0.00246 -0.00344 116 4YY -0.00008 -0.00033 0.00720 -0.00318 -0.00039 117 4ZZ -0.00024 -0.00051 -0.00256 -0.00121 -0.00175 118 4XY -0.00581 0.00129 0.00028 -0.00243 -0.00374 119 4XZ 0.00060 0.00014 0.00071 0.00059 0.00147 120 4YZ 0.00113 -0.00022 -0.00181 0.00079 0.00067 121 9 C 1S -0.03158 0.01125 0.05102 0.00708 0.00882 122 2S 0.06421 -0.02240 -0.10587 -0.01330 -0.01565 123 2PX 0.02664 -0.03842 0.04419 -0.15114 -0.15686 124 2PY 0.16480 -0.05314 -0.10319 -0.08046 -0.03618 125 2PZ -0.03032 0.01466 0.00778 0.04001 0.03127 126 3S 0.06130 -0.03085 -0.08545 -0.02254 -0.03750 127 3PX 0.01399 -0.00929 -0.02818 -0.04965 -0.05634 128 3PY 0.05357 -0.02325 -0.01317 -0.04138 -0.00118 129 3PZ -0.01071 0.00523 0.00710 0.01548 0.00927 130 4XX 0.00136 -0.00011 -0.00302 -0.00037 -0.00122 131 4YY -0.00144 -0.00047 0.00902 -0.00310 -0.00147 132 4ZZ -0.00220 0.00082 0.00314 0.00051 0.00064 133 4XY 0.00257 -0.00151 -0.00848 -0.00408 -0.00590 134 4XZ -0.00115 0.00049 0.00267 0.00084 0.00159 135 4YZ -0.00066 0.00052 0.00060 0.00144 0.00150 136 10 C 1S 0.04291 -0.01018 -0.09260 -0.00542 -0.02283 137 2S -0.09540 0.02306 0.20817 0.01331 0.05238 138 2PX 0.01062 -0.01141 0.07120 -0.06772 -0.04144 139 2PY -0.06615 0.01536 -0.04147 0.01690 -0.05071 140 2PZ 0.00785 -0.00038 -0.00650 0.00997 0.01338 141 3S -0.08006 0.01811 0.18695 0.00748 0.06007 142 3PX 0.00185 -0.00587 0.05695 -0.02301 -0.01292 143 3PY -0.01636 0.00175 0.02222 -0.00096 0.00234 144 3PZ 0.00196 0.00068 -0.01359 0.00445 0.00111 145 4XX 0.00114 0.00044 -0.00847 0.00222 -0.00018 146 4YY 0.00514 -0.00192 -0.00709 -0.00273 -0.00317 147 4ZZ 0.00282 -0.00070 -0.00690 -0.00075 -0.00269 148 4XY 0.00423 -0.00189 -0.00088 -0.00449 -0.00477 149 4XZ -0.00032 0.00007 0.00049 0.00009 0.00030 150 4YZ -0.00121 0.00056 0.00021 0.00119 0.00096 151 11 C 1S -0.00885 -0.00075 0.03063 -0.00902 -0.00350 152 2S 0.01811 0.00157 -0.06058 0.01885 0.00841 153 2PX 0.03759 -0.00321 -0.17959 0.04051 -0.01975 154 2PY -0.02060 0.00040 0.02205 -0.02668 -0.05854 155 2PZ -0.00372 0.00047 0.02879 -0.00293 0.01114 156 3S 0.01673 0.00444 -0.08303 0.02510 0.01223 157 3PX 0.01195 -0.00053 -0.06393 0.02011 -0.00497 158 3PY -0.00744 -0.00133 -0.00028 -0.01731 -0.03902 159 3PZ -0.00100 0.00031 0.01148 -0.00087 0.00629 160 4XX -0.00306 0.00046 0.01080 -0.00156 0.00113 161 4YY 0.00175 -0.00020 -0.00528 0.00141 0.00123 162 4ZZ 0.00100 0.00001 -0.00659 0.00132 -0.00178 163 4XY 0.00261 -0.00044 -0.00522 0.00076 -0.00016 164 4XZ 0.00044 -0.00002 -0.00287 0.00049 -0.00062 165 4YZ -0.00060 0.00012 0.00064 -0.00013 -0.00058 166 12 H 1S 0.02061 0.00003 -0.05106 0.02512 0.03391 167 2S 0.01472 -0.00260 -0.03435 0.00808 0.01138 168 13 H 1S 0.01335 -0.00041 -0.06875 0.01212 -0.01560 169 2S 0.00922 -0.00119 -0.04211 0.00537 -0.01242 170 14 H 1S 0.01325 -0.00044 -0.06872 0.01238 -0.01672 171 2S 0.00910 -0.00125 -0.04208 0.00559 -0.01331 172 15 O 1S -0.02885 0.00941 0.05242 0.01577 0.03238 173 2S 0.06649 -0.02098 -0.11796 -0.03304 -0.06863 174 2PX 0.00389 -0.00167 0.15591 -0.00114 0.07789 175 2PY -0.06018 0.02347 0.07702 0.06238 0.08354 176 2PZ 0.00814 -0.00337 -0.03965 -0.00891 -0.02815 177 3S 0.09237 -0.03446 -0.16835 -0.06767 -0.13216 178 3PX 0.00529 -0.00296 0.08648 -0.00563 0.03901 179 3PY -0.03537 0.01278 0.04343 0.03198 0.03990 180 3PZ 0.00422 -0.00147 -0.02208 -0.00363 -0.01398 181 4XX 0.00005 0.00008 0.00853 -0.00042 0.00501 182 4YY -0.00554 0.00219 0.00345 0.00566 0.00548 183 4ZZ 0.00093 -0.00011 -0.00080 0.00028 0.00047 184 4XY -0.00163 0.00046 0.00989 0.00126 0.00456 185 4XZ 0.00048 -0.00013 -0.00361 -0.00007 -0.00179 186 4YZ 0.00145 -0.00051 -0.00268 -0.00117 -0.00189 187 16 H 1S 0.09123 -0.04380 -0.06632 -0.10298 -0.09643 188 2S 0.05355 -0.02712 -0.03618 -0.07122 -0.07521 189 17 H 1S 0.06835 -0.02713 0.12152 -0.06677 -0.01851 190 2S 0.04206 -0.02401 0.07217 -0.06856 -0.02084 191 18 H 1S -0.09946 0.02509 -0.12869 -0.01503 -0.01360 192 2S -0.03687 0.00697 -0.09285 -0.01837 -0.02043 193 19 C 1S 0.03795 0.00235 0.01855 0.01506 -0.00201 194 2S -0.07683 -0.00465 -0.03689 -0.03022 0.00452 195 2PX 0.03276 -0.04509 0.06827 -0.09468 -0.04933 196 2PY -0.14849 -0.00472 -0.06297 -0.17197 -0.04487 197 2PZ 0.00463 -0.01018 0.00356 0.04754 -0.02634 198 3S -0.08262 -0.00738 -0.05425 -0.02691 0.00759 199 3PX 0.02033 -0.02592 0.02899 -0.05010 -0.02112 200 3PY -0.05622 -0.00817 -0.03028 -0.07894 -0.01316 201 3PZ 0.00160 -0.00106 0.00149 0.02295 -0.01342 202 4XX -0.00458 -0.00075 -0.00011 -0.00826 -0.00253 203 4YY 0.01065 -0.00057 0.00370 0.00701 0.00192 204 4ZZ -0.00569 0.00132 -0.00463 -0.00015 0.00055 205 4XY -0.00382 0.00093 -0.00068 -0.00351 -0.00036 206 4XZ 0.00099 0.00132 -0.00106 0.00147 0.00258 207 4YZ -0.00167 0.00052 -0.00135 -0.00077 0.00037 208 20 H 1S -0.05842 -0.02284 0.00434 -0.11982 -0.03450 209 2S -0.03470 -0.00808 0.01767 -0.07549 -0.02941 210 21 H 1S -0.05630 0.02086 -0.04795 -0.01370 0.02564 211 2S -0.02574 0.01862 -0.02733 -0.00799 0.01390 212 22 H 1S -0.06702 0.00253 -0.04283 -0.00549 -0.01066 213 2S -0.03734 0.00140 -0.02227 -0.00188 -0.01291 214 23 H 1S -0.07175 0.01001 0.03932 0.03284 -0.10121 215 2S -0.03884 0.00546 0.01842 0.02151 -0.07584 216 24 H 1S -0.08179 -0.04443 -0.00373 -0.10310 0.00643 217 2S -0.05021 -0.02980 -0.00957 -0.06040 0.00847 218 25 H 1S 0.04077 0.01755 -0.02029 -0.04666 0.11164 219 2S 0.02193 0.00745 -0.01627 -0.03229 0.07278 220 26 H 1S 0.04881 0.10172 -0.00312 0.04386 -0.07409 221 2S 0.02276 0.05852 -0.00454 0.03987 -0.05439 222 27 H 1S -0.02609 -0.15936 -0.00524 0.03615 0.08647 223 2S -0.01728 -0.09611 -0.00254 0.02010 0.06429 224 28 C 1S 0.00703 0.04059 0.00083 -0.01175 -0.00282 225 2S -0.01439 -0.08174 -0.00176 0.02332 0.00578 226 2PX 0.01597 0.08685 0.00178 0.01197 -0.12148 227 2PY -0.01461 -0.15583 -0.00386 0.12843 -0.07778 228 2PZ -0.00045 0.03425 0.00316 -0.03613 0.01577 229 3S -0.01567 -0.09623 -0.00174 0.02262 0.01642 230 3PX 0.00780 0.04028 0.00132 0.00902 -0.06061 231 3PY -0.00660 -0.05909 -0.00153 0.05371 -0.03266 232 3PZ -0.00203 0.01233 0.00233 -0.01478 0.00450 233 4XX 0.00003 -0.00256 -0.00011 0.00397 -0.00425 234 4YY 0.00100 0.00863 0.00017 -0.00425 0.00021 235 4ZZ -0.00109 -0.00607 -0.00012 0.00090 0.00429 236 4XY -0.00085 -0.00799 -0.00023 0.00504 -0.00287 237 4XZ 0.00014 0.00175 0.00001 -0.00157 0.00203 238 4YZ -0.00047 -0.00417 -0.00016 0.00135 0.00193 239 29 H 1S -0.00358 -0.06221 -0.00211 0.07342 -0.08419 240 2S -0.00006 -0.03113 -0.00102 0.05067 -0.06764 241 30 H 1S -0.01053 -0.07225 -0.00247 0.01654 0.04331 242 2S -0.00593 -0.03987 -0.00090 0.01156 0.02581 243 31 H 1S -0.01285 -0.07284 -0.00065 0.01570 0.03101 244 2S -0.00599 -0.04053 -0.00050 0.01037 0.01837 245 32 H 1S -0.00427 -0.06430 -0.00173 0.06498 -0.05324 246 2S -0.00347 -0.04606 -0.00135 0.04285 -0.02877 247 33 H 1S -0.00297 -0.03538 0.00053 0.01486 -0.04289 248 2S -0.00200 -0.02198 0.00037 0.00998 -0.02647 249 34 H 1S -0.00121 -0.03497 -0.00092 0.01521 -0.03117 250 2S -0.00109 -0.02193 -0.00069 0.01015 -0.01787 31 32 33 34 35 O O O O O Eigenvalues -- -0.45309 -0.44102 -0.43403 -0.42999 -0.42935 1 1 C 1S -0.00688 0.00356 0.00549 -0.00016 0.00040 2 2S 0.01367 -0.00738 -0.01105 0.00034 -0.00082 3 2PX 0.01875 0.16689 -0.00306 0.00074 0.03260 4 2PY -0.11086 -0.06881 0.09575 -0.03996 0.05782 5 2PZ 0.01677 0.00078 0.00116 -0.11759 0.21648 6 3S 0.01480 -0.00890 -0.00957 0.00122 -0.00119 7 3PX 0.01268 0.08523 -0.00147 0.00091 0.01549 8 3PY -0.05554 -0.03805 0.05122 -0.01866 0.02567 9 3PZ 0.00908 0.00144 -0.00211 -0.05268 0.09734 10 4XX 0.00179 0.00274 -0.00088 0.00094 -0.00134 11 4YY 0.00015 0.00360 -0.00047 -0.00089 0.00252 12 4ZZ -0.00092 -0.00741 0.00019 -0.00003 -0.00137 13 4XY -0.00422 -0.00109 0.00302 0.00103 -0.00217 14 4XZ 0.00125 -0.00067 -0.00186 0.00528 -0.00988 15 4YZ -0.00031 -0.00373 0.00057 -0.00278 0.00427 16 2 C 1S 0.00846 -0.00409 0.00466 -0.00096 -0.00054 17 2S -0.01842 0.01042 -0.00933 0.00207 0.00136 18 2PX 0.12228 0.06191 -0.09506 -0.00043 0.01229 19 2PY -0.02205 -0.14536 -0.01975 -0.02823 0.02771 20 2PZ -0.01806 0.03115 0.03377 -0.07988 0.14857 21 3S -0.03049 -0.01940 -0.00782 0.00102 -0.00101 22 3PX 0.01988 -0.00743 -0.01538 -0.00300 0.00428 23 3PY -0.00244 -0.03261 -0.00290 -0.01009 0.01546 24 3PZ -0.00739 0.00815 0.01254 -0.03916 0.07110 25 4XX -0.00173 -0.00521 0.00276 -0.00016 -0.00098 26 4YY 0.00187 0.00375 -0.00147 0.00005 0.00070 27 4ZZ 0.00069 -0.00005 0.00023 -0.00011 0.00013 28 4XY 0.00125 -0.00245 -0.00241 0.00064 -0.00125 29 4XZ -0.00047 0.00119 0.00010 0.00226 -0.00431 30 4YZ -0.00057 -0.00102 0.00097 -0.00067 0.00095 31 3 C 1S 0.00083 0.01748 -0.01026 0.00221 0.00154 32 2S -0.00333 -0.04082 0.02197 -0.00452 -0.00357 33 2PX -0.10270 -0.13556 0.08456 -0.01492 0.00020 34 2PY 0.01757 -0.13554 -0.05963 -0.01428 0.01005 35 2PZ -0.01514 0.04653 0.02207 -0.04260 0.07654 36 3S 0.00211 -0.01334 0.02637 -0.00912 0.00170 37 3PX -0.04441 -0.06673 0.03291 -0.00947 0.00087 38 3PY 0.00504 -0.04669 -0.02843 -0.00885 0.00690 39 3PZ -0.00734 0.01673 0.00977 -0.01932 0.03561 40 4XX 0.00012 0.00259 -0.00320 0.00067 -0.00039 41 4YY -0.00218 0.00054 0.00488 -0.00083 0.00093 42 4ZZ -0.00016 0.00049 -0.00038 0.00029 -0.00003 43 4XY -0.00146 -0.00138 0.00099 0.00034 -0.00080 44 4XZ -0.00047 0.00002 -0.00042 0.00192 -0.00397 45 4YZ -0.00032 -0.00002 -0.00121 -0.00088 0.00151 46 4 C 1S 0.00671 0.00419 -0.00370 -0.00026 -0.00161 47 2S -0.01643 -0.01169 0.00822 -0.00044 0.00371 48 2PX 0.00602 0.16015 -0.03260 0.00753 0.01433 49 2PY 0.06162 0.10718 0.00728 -0.00842 0.02533 50 2PZ -0.06425 -0.03034 0.02491 -0.04687 0.05567 51 3S -0.01217 -0.00547 0.01272 0.00640 0.00348 52 3PX -0.00669 0.07594 -0.00593 -0.00059 0.00966 53 3PY 0.02730 0.04013 0.00392 -0.00992 0.01704 54 3PZ -0.01708 -0.01167 0.01220 -0.02136 0.02802 55 4XX 0.00275 -0.00173 -0.00403 0.00021 -0.00048 56 4YY 0.00105 0.00055 0.00365 0.00033 -0.00069 57 4ZZ -0.00204 0.00278 -0.00024 0.00025 0.00013 58 4XY -0.00316 -0.00491 0.00353 -0.00094 -0.00002 59 4XZ 0.00059 0.00300 -0.00088 -0.00054 0.00062 60 4YZ -0.00085 0.00230 0.00052 0.00125 -0.00165 61 5 C 1S 0.00059 -0.01523 0.01230 -0.00175 0.00191 62 2S -0.00141 0.03249 -0.02465 0.00228 -0.00158 63 2PX 0.10332 -0.00246 -0.06731 0.02731 -0.03071 64 2PY -0.01821 0.01764 0.12751 0.00469 -0.01600 65 2PZ -0.02426 -0.09900 0.01621 0.02047 -0.04333 66 3S 0.00608 0.04586 -0.04491 0.01531 -0.02247 67 3PX 0.06467 -0.00034 -0.03382 0.01695 -0.01827 68 3PY -0.01356 0.01471 0.06452 0.00595 -0.01193 69 3PZ -0.01619 -0.03764 0.00753 0.00950 -0.01717 70 4XX 0.00220 -0.00459 0.00098 -0.00092 0.00107 71 4YY -0.00084 -0.00236 -0.00214 0.00091 -0.00144 72 4ZZ -0.00223 0.00338 0.00135 -0.00009 0.00035 73 4XY -0.00131 -0.00117 0.00258 -0.00006 -0.00003 74 4XZ 0.00012 0.00030 -0.00212 -0.00025 0.00123 75 4YZ -0.00412 -0.00292 0.00482 0.00040 -0.00104 76 6 C 1S 0.01650 0.02159 0.01017 0.00263 -0.00324 77 2S -0.03334 -0.04731 -0.01987 -0.00557 0.00639 78 2PX -0.03086 -0.06767 -0.07235 -0.01598 0.02812 79 2PY -0.15545 -0.02240 0.05020 -0.00274 -0.00367 80 2PZ 0.01109 -0.07209 0.03355 0.03703 -0.04437 81 3S -0.07710 -0.05892 -0.05171 -0.01430 0.02146 82 3PX -0.02587 -0.01305 -0.03362 -0.00223 0.00520 83 3PY -0.01517 -0.00689 0.00885 0.00605 -0.01163 84 3PZ -0.00352 -0.04155 0.02023 0.01161 -0.02038 85 4XX -0.00120 0.00430 0.00333 -0.00004 0.00021 86 4YY 0.00203 -0.00156 -0.00173 0.00031 -0.00041 87 4ZZ 0.00156 0.00159 0.00068 0.00002 -0.00029 88 4XY -0.00180 0.00287 -0.00676 0.00090 -0.00036 89 4XZ 0.00148 0.00162 -0.00013 -0.00013 0.00121 90 4YZ -0.00039 -0.00138 0.00258 0.00078 -0.00122 91 7 C 1S -0.01150 -0.00385 -0.03337 0.00240 -0.00067 92 2S 0.02074 0.00972 0.06837 -0.00487 0.00138 93 2PX -0.06386 0.07461 0.09941 0.02061 -0.03162 94 2PY -0.13720 0.01064 -0.06956 0.00294 0.00413 95 2PZ 0.02537 -0.05347 0.00677 0.02321 -0.00585 96 3S 0.06184 0.00097 0.13286 -0.00552 -0.00403 97 3PX -0.06670 0.01586 0.02875 0.00237 -0.00119 98 3PY -0.06090 0.01709 0.00677 0.00401 -0.00244 99 3PZ 0.01923 -0.02395 -0.00048 0.01776 -0.00095 100 4XX 0.00028 -0.00214 -0.00477 0.00012 0.00073 101 4YY 0.00253 0.00130 0.00480 0.00049 -0.00077 102 4ZZ -0.00093 -0.00005 -0.00208 -0.00010 -0.00049 103 4XY 0.00111 0.00564 0.00292 0.00160 -0.00182 104 4XZ 0.00003 0.00182 -0.00061 0.00011 0.00183 105 4YZ -0.00118 -0.00279 -0.00127 0.00059 -0.00021 106 8 C 1S -0.00634 -0.00397 0.00233 -0.00329 0.00428 107 2S 0.01177 0.00653 -0.00375 0.00640 -0.00848 108 2PX 0.11109 -0.14588 -0.07485 -0.01592 0.03774 109 2PY 0.03172 0.07995 -0.01067 0.02710 -0.01953 110 2PZ -0.02760 -0.00199 0.02222 0.04276 0.01041 111 3S 0.04848 0.03826 0.02584 0.01769 -0.02599 112 3PX 0.03703 -0.02701 0.03918 -0.00017 0.00158 113 3PY -0.00918 0.01786 -0.00232 0.00571 -0.00149 114 3PZ -0.00750 -0.00751 -0.00228 0.01841 0.00363 115 4XX -0.00118 -0.00256 0.00285 -0.00083 0.00184 116 4YY 0.00151 0.00518 -0.00230 0.00121 -0.00187 117 4ZZ -0.00048 -0.00074 0.00108 -0.00035 -0.00000 118 4XY 0.00113 0.00470 0.00880 0.00045 -0.00121 119 4XZ 0.00018 0.00056 -0.00211 0.00166 0.00151 120 4YZ -0.00049 -0.00149 -0.00131 -0.00202 -0.00011 121 9 C 1S 0.00595 0.01555 0.00222 0.00504 -0.00635 122 2S -0.00914 -0.03397 -0.00611 -0.01044 0.01325 123 2PX -0.04843 0.13534 0.13881 0.03015 -0.02191 124 2PY 0.11795 -0.04436 0.12094 -0.00269 0.01482 125 2PZ -0.01025 -0.02669 -0.03805 0.07635 0.04407 126 3S -0.06345 -0.03702 -0.03499 -0.01647 0.02350 127 3PX 0.00058 0.05758 0.09022 0.01697 -0.01355 128 3PY 0.06502 -0.03334 0.01259 -0.00055 0.01259 129 3PZ -0.01005 -0.00884 -0.01583 0.04477 0.02690 130 4XX 0.00171 0.00057 0.00688 -0.00005 -0.00012 131 4YY -0.00114 0.00341 -0.00300 -0.00033 -0.00144 132 4ZZ 0.00069 0.00069 0.00027 0.00131 0.00014 133 4XY -0.00233 0.00130 0.00512 -0.00130 -0.00007 134 4XZ 0.00022 0.00020 -0.00238 0.00091 0.00062 135 4YZ 0.00076 -0.00060 -0.00061 -0.00448 -0.00266 136 10 C 1S -0.03182 0.00883 0.00617 -0.00032 -0.00022 137 2S 0.07321 -0.02145 -0.01287 0.00037 0.00083 138 2PX 0.10221 0.04958 0.21045 0.04377 -0.00584 139 2PY -0.18573 0.09705 -0.07668 0.05072 -0.00132 140 2PZ 0.00901 -0.03462 -0.01674 0.19752 0.12240 141 3S 0.08267 -0.02879 -0.04035 0.00088 0.00254 142 3PX 0.01752 0.01061 0.03615 0.01834 0.00642 143 3PY -0.02271 0.01015 -0.04447 0.01902 0.00721 144 3PZ -0.00026 -0.00928 0.00505 0.09709 0.05602 145 4XX -0.00439 0.00161 -0.00237 0.00113 -0.00004 146 4YY -0.00031 -0.00075 0.00393 -0.00186 -0.00020 147 4ZZ -0.00359 0.00231 0.00170 0.00085 -0.00022 148 4XY -0.00304 0.00447 0.00103 0.00024 -0.00119 149 4XZ 0.00067 -0.00046 0.00070 0.00195 0.00148 150 4YZ -0.00002 -0.00020 -0.00073 -0.00441 -0.00267 151 11 C 1S 0.00734 0.00415 0.00878 0.00058 -0.00130 152 2S -0.01328 -0.01007 -0.01853 -0.00146 0.00303 153 2PX -0.17183 0.01078 -0.16386 0.05824 0.04241 154 2PY -0.10377 0.12623 0.00488 0.07760 -0.01017 155 2PZ 0.04570 -0.03389 0.04131 0.30569 0.18410 156 3S -0.00397 -0.01044 -0.00207 -0.00087 0.00071 157 3PX -0.07962 0.00105 -0.08802 0.02645 0.02170 158 3PY -0.06230 0.07140 0.01148 0.03785 -0.00755 159 3PZ 0.02342 -0.01652 0.01972 0.14212 0.08613 160 4XX 0.00653 0.00043 0.00552 0.00250 0.00053 161 4YY 0.00062 -0.00479 -0.00203 0.00218 0.00369 162 4ZZ -0.00897 0.00381 -0.00658 -0.00474 -0.00390 163 4XY -0.00297 -0.00013 -0.00366 0.00354 0.00219 164 4XZ -0.00289 0.00050 -0.00169 0.00672 0.00387 165 4YZ -0.00127 0.00099 0.00038 0.01305 0.00690 166 12 H 1S 0.04007 -0.07785 -0.02082 -0.01882 0.02435 167 2S 0.01884 -0.04450 -0.00488 -0.01241 0.01539 168 13 H 1S -0.07879 0.03675 -0.06141 -0.15264 -0.09801 169 2S -0.05465 0.02782 -0.04395 -0.12133 -0.07738 170 14 H 1S -0.07941 0.02435 -0.04902 0.16802 0.08822 171 2S -0.05521 0.01777 -0.03402 0.13266 0.06995 172 15 O 1S 0.03841 -0.03164 -0.01918 -0.00463 0.00729 173 2S -0.08231 0.06626 0.03985 0.00969 -0.01526 174 2PX 0.18625 -0.11522 0.02635 0.00832 0.04125 175 2PY 0.01393 -0.08091 -0.17122 0.01548 0.04052 176 2PZ -0.03615 0.02360 0.02905 0.17051 0.08540 177 3S -0.15610 0.13467 0.07686 0.01988 -0.03062 178 3PX 0.10200 -0.06029 0.01934 0.00573 0.02255 179 3PY -0.00259 -0.03714 -0.09593 0.01042 0.02150 180 3PZ -0.01824 0.01102 0.01559 0.09839 0.05002 181 4XX 0.01455 -0.00698 0.00594 0.00140 0.00260 182 4YY -0.00278 -0.00426 -0.01327 0.00200 0.00289 183 4ZZ 0.00036 -0.00010 -0.00011 -0.00505 -0.00283 184 4XY 0.00587 -0.00507 -0.00362 0.00217 0.00290 185 4XZ -0.00400 0.00183 -0.00022 0.00842 0.00418 186 4YZ -0.00067 0.00115 0.00348 0.00878 0.00433 187 16 H 1S 0.01036 0.03660 0.11149 -0.00249 -0.00485 188 2S -0.00394 0.03739 0.08623 -0.00034 -0.00567 189 17 H 1S 0.02297 0.05753 -0.01925 0.01696 -0.01767 190 2S 0.02158 0.04668 -0.02816 0.01402 -0.01342 191 18 H 1S 0.07408 0.00237 0.06948 0.00017 -0.00462 192 2S 0.02084 0.02467 0.05034 0.00486 -0.00891 193 19 C 1S -0.00581 0.00432 0.00190 0.00079 -0.00088 194 2S 0.01185 -0.00885 -0.00472 -0.00112 0.00123 195 2PX -0.08711 -0.04218 -0.15891 -0.00082 0.01610 196 2PY 0.12361 0.00805 -0.05846 0.01333 -0.00714 197 2PZ -0.03891 -0.13887 0.09195 0.06040 -0.08565 198 3S -0.00225 -0.01890 0.00375 -0.00723 0.00779 199 3PX -0.03993 -0.02331 -0.07629 -0.00075 0.00891 200 3PY 0.06132 -0.00611 -0.03592 0.00623 -0.00302 201 3PZ -0.01648 -0.06054 0.04336 0.03077 -0.03876 202 4XX 0.00274 0.00237 -0.00580 -0.00078 0.00172 203 4YY -0.00615 -0.00196 -0.00072 -0.00024 0.00020 204 4ZZ 0.00576 -0.00047 0.00559 0.00112 -0.00186 205 4XY 0.00164 0.00228 -0.00541 -0.00003 0.00065 206 4XZ 0.00223 0.00661 -0.00031 -0.00279 0.00366 207 4YZ 0.00150 -0.00070 0.00237 0.00062 -0.00117 208 20 H 1S 0.00767 0.00035 -0.11473 -0.00222 0.01515 209 2S 0.00237 0.01501 -0.08158 0.00141 0.00791 210 21 H 1S 0.07089 0.07909 0.01386 -0.02709 0.03399 211 2S 0.05511 0.06840 0.01045 -0.02009 0.02835 212 22 H 1S 0.03524 -0.06282 0.07364 0.03365 -0.04956 213 2S 0.02286 -0.04781 0.05963 0.02658 -0.04101 214 23 H 1S -0.04536 -0.02453 0.05121 0.00343 -0.01576 215 2S -0.02474 -0.02721 0.04382 0.00048 -0.00810 216 24 H 1S 0.02381 -0.01284 -0.08486 0.00784 -0.00693 217 2S 0.01719 -0.01230 -0.05033 0.00429 -0.00337 218 25 H 1S 0.00955 0.03461 -0.01994 0.02495 -0.02393 219 2S 0.01487 0.02551 -0.01662 0.01689 -0.01637 220 26 H 1S 0.04369 0.03175 0.00584 0.00279 0.00231 221 2S 0.04171 0.03444 0.00011 0.00292 0.00044 222 27 H 1S -0.02664 0.04058 0.05790 -0.00255 0.00347 223 2S -0.01638 0.03970 0.03502 -0.00111 0.00279 224 28 C 1S -0.00370 -0.00790 0.00166 -0.00042 -0.00021 225 2S 0.00732 0.01568 -0.00298 0.00089 0.00040 226 2PX 0.07423 -0.03233 -0.11006 -0.00618 0.01362 227 2PY 0.10009 0.11849 -0.05006 -0.02663 0.06949 228 2PZ -0.04711 -0.03351 0.05343 -0.13078 0.23288 229 3S 0.00313 0.01286 -0.00527 -0.00010 -0.00000 230 3PX 0.03810 -0.01317 -0.05621 -0.00295 0.00650 231 3PY 0.04777 0.06198 -0.02812 -0.01080 0.03170 232 3PZ -0.02377 -0.01719 0.02754 -0.06023 0.10606 233 4XX 0.00385 0.00198 -0.00271 0.00099 -0.00144 234 4YY -0.00081 -0.00246 -0.00161 0.00034 -0.00077 235 4ZZ -0.00214 0.00271 0.00428 -0.00124 0.00239 236 4XY 0.00394 0.00389 -0.00286 0.00204 -0.00299 237 4XZ -0.00096 -0.00074 -0.00017 0.00618 -0.01156 238 4YZ -0.00053 0.00146 0.00191 0.00053 -0.00088 239 29 H 1S 0.08292 0.04921 -0.07435 0.00538 0.00199 240 2S 0.05854 0.02990 -0.04905 0.00306 0.00191 241 30 H 1S -0.00769 0.02908 0.01860 0.06618 -0.11940 242 2S -0.00588 0.01798 0.01395 0.05409 -0.09890 243 31 H 1S -0.02135 0.02493 0.04911 -0.06688 0.12375 244 2S -0.01510 0.01420 0.03763 -0.05549 0.10223 245 32 H 1S 0.06794 0.07771 -0.05368 0.00729 0.00394 246 2S 0.04328 0.05608 -0.03306 0.00477 0.00322 247 33 H 1S -0.00841 -0.06593 0.01213 -0.06548 0.10720 248 2S -0.00744 -0.04613 0.01251 -0.05414 0.08978 249 34 H 1S 0.00219 -0.06266 -0.01343 0.05733 -0.11795 250 2S 0.00108 -0.04336 -0.00874 0.04771 -0.09727 36 37 38 39 40 O O O O O Eigenvalues -- -0.41933 -0.41258 -0.40074 -0.38522 -0.38275 1 1 C 1S -0.00031 0.00158 0.00259 0.00218 0.00000 2 2S 0.00075 -0.00280 -0.00571 -0.00535 0.00001 3 2PX 0.09113 0.19377 -0.00342 -0.04971 0.02868 4 2PY -0.00730 -0.01264 0.06766 0.04263 0.08819 5 2PZ 0.09518 -0.05410 -0.03089 0.00437 0.32141 6 3S 0.00571 0.01118 0.00393 -0.00048 -0.00026 7 3PX 0.04523 0.09932 0.00360 -0.01978 0.01447 8 3PY -0.00677 -0.00559 0.04160 0.02673 0.04305 9 3PZ 0.04342 -0.02545 -0.01750 -0.00045 0.15788 10 4XX -0.00023 0.00082 0.00077 0.00145 -0.00275 11 4YY 0.00338 0.00516 -0.00185 -0.00336 0.00052 12 4ZZ -0.00358 -0.00814 0.00016 0.00214 0.00221 13 4XY -0.00160 0.00190 0.00265 0.00106 -0.00489 14 4XZ -0.00502 0.00068 -0.00002 -0.00094 -0.01847 15 4YZ -0.00030 -0.00537 0.00027 0.00178 0.00149 16 2 C 1S -0.00696 -0.00673 0.01319 0.01089 0.00015 17 2S 0.01558 0.01629 -0.02813 -0.02407 -0.00028 18 2PX 0.01929 -0.04406 -0.04402 0.02256 0.00007 19 2PY -0.03542 -0.15104 -0.06831 -0.03815 -0.00009 20 2PZ 0.05387 0.03197 0.02086 0.00687 0.00695 21 3S 0.00748 -0.00822 -0.03870 -0.03318 -0.00191 22 3PX -0.00230 -0.02572 -0.00252 0.01332 -0.00142 23 3PY 0.00280 -0.02029 -0.00760 -0.00221 0.00034 24 3PZ 0.02244 0.00122 0.00159 -0.00039 0.00249 25 4XX -0.00359 -0.00339 0.00521 0.00544 -0.00031 26 4YY 0.00215 0.00235 -0.00322 -0.00452 -0.00575 27 4ZZ -0.00003 -0.00038 0.00061 0.00063 0.00604 28 4XY -0.00043 0.00051 -0.00146 -0.00170 -0.00161 29 4XZ -0.00364 0.00225 0.00076 -0.00061 -0.00181 30 4YZ -0.00022 -0.00110 0.00146 0.00172 -0.01111 31 3 C 1S 0.01483 0.02500 -0.01427 -0.01637 -0.00001 32 2S -0.03097 -0.05307 0.03041 0.03569 -0.00021 33 2PX -0.05064 -0.04246 0.03474 -0.01421 0.00014 34 2PY -0.02261 -0.06735 -0.03815 -0.00491 0.00092 35 2PZ -0.01031 0.04187 0.01708 -0.00763 0.00209 36 3S -0.04656 -0.05866 0.03720 0.04026 0.00208 37 3PX -0.03617 -0.04912 0.00967 -0.00704 -0.00098 38 3PY -0.01962 -0.04756 -0.03303 -0.01416 0.00271 39 3PZ -0.00197 0.02910 0.01283 -0.00241 0.00485 40 4XX 0.00207 0.00207 -0.00562 -0.00396 -0.00014 41 4YY -0.00220 0.00167 0.00579 0.00223 -0.00053 42 4ZZ 0.00212 0.00146 -0.00081 -0.00062 0.00067 43 4XY -0.00065 0.00479 0.00275 0.00083 -0.00018 44 4XZ -0.00466 0.00087 0.00040 -0.00060 -0.00053 45 4YZ -0.00067 0.00085 -0.00178 -0.00145 -0.00116 46 4 C 1S -0.01116 -0.01872 -0.00322 -0.00011 0.00064 47 2S 0.01818 0.03603 0.00568 -0.00224 -0.00041 48 2PX 0.05642 0.03983 -0.11137 -0.07860 -0.00496 49 2PY -0.01315 0.12432 0.12350 0.08028 0.00087 50 2PZ -0.14362 0.03719 0.01662 -0.03403 -0.00808 51 3S 0.06041 0.08601 0.02310 0.01879 -0.00649 52 3PX 0.01129 0.00300 -0.05347 -0.03913 -0.00226 53 3PY -0.01968 0.04334 0.06273 0.04404 -0.00450 54 3PZ -0.05585 0.01784 0.01308 -0.01708 -0.01320 55 4XX -0.00027 -0.00720 -0.00416 -0.00007 -0.00005 56 4YY -0.00028 0.00229 0.00806 0.00488 0.00036 57 4ZZ 0.00162 0.00379 -0.00347 -0.00346 0.00016 58 4XY -0.00564 -0.00462 0.00157 0.00079 -0.00023 59 4XZ -0.00470 0.00303 0.00204 0.00074 -0.00018 60 4YZ 0.00304 -0.00102 -0.00431 -0.00220 -0.00021 61 5 C 1S 0.00511 -0.00256 0.00885 -0.00105 -0.00030 62 2S -0.01125 0.00530 -0.01991 0.00299 -0.00092 63 2PX 0.09456 -0.17059 -0.02158 0.05831 0.00162 64 2PY 0.00517 0.02269 0.12087 0.10033 -0.00199 65 2PZ 0.02243 0.02744 0.04042 0.02419 0.01132 66 3S -0.00769 -0.00995 -0.01474 -0.00025 0.01143 67 3PX 0.06104 -0.07975 0.00217 0.02395 -0.00181 68 3PY 0.00719 0.01196 0.05978 0.04147 0.00077 69 3PZ 0.00746 0.01745 0.01647 0.01754 0.00449 70 4XX -0.00109 -0.00020 0.00798 0.00401 -0.00014 71 4YY 0.00184 -0.00536 -0.00686 -0.00355 0.00021 72 4ZZ -0.00006 0.00610 -0.00046 -0.00130 -0.00000 73 4XY 0.00126 -0.00564 -0.00104 0.00123 -0.00031 74 4XZ 0.00125 0.00066 -0.00307 -0.00257 -0.00015 75 4YZ 0.00129 0.00435 0.00199 -0.00011 -0.00005 76 6 C 1S 0.00339 0.00621 0.00598 -0.01166 0.00050 77 2S -0.00756 -0.01541 -0.01265 0.02751 -0.00119 78 2PX -0.02672 0.14501 0.03709 -0.06172 0.00178 79 2PY -0.03157 0.06453 -0.14860 -0.04744 0.00201 80 2PZ 0.13584 0.00092 0.02973 0.03188 0.00148 81 3S -0.02397 0.00302 -0.02684 0.02364 -0.00248 82 3PX -0.00154 0.04250 0.01877 -0.03191 0.00155 83 3PY 0.01071 0.00524 -0.02204 -0.02739 0.00250 84 3PZ 0.05777 0.00588 0.00738 0.01555 0.00054 85 4XX -0.00126 0.00214 0.00435 -0.00406 -0.00005 86 4YY 0.00200 -0.00148 -0.00513 0.00230 -0.00016 87 4ZZ -0.00101 -0.00015 0.00089 -0.00021 0.00014 88 4XY 0.00256 0.00022 -0.00572 0.00617 -0.00015 89 4XZ -0.00094 -0.00032 -0.00057 -0.00052 -0.00013 90 4YZ 0.00677 0.00253 0.00028 -0.00288 -0.00029 91 7 C 1S 0.00954 -0.01826 -0.01029 0.02422 -0.00051 92 2S -0.02042 0.03761 0.01989 -0.05222 0.00111 93 2PX 0.01472 -0.03738 -0.13363 -0.04553 0.00305 94 2PY -0.00929 0.04575 -0.06388 -0.11982 0.00509 95 2PZ 0.05666 0.01733 0.04237 0.03629 -0.00010 96 3S -0.02454 0.04859 0.02891 -0.08212 0.00167 97 3PX -0.01083 0.01618 -0.06128 -0.02510 0.00010 98 3PY -0.00484 0.01434 -0.05809 -0.02629 0.00108 99 3PZ 0.02940 0.00449 0.02634 0.01537 0.00054 100 4XX -0.00029 -0.00184 -0.00379 0.00291 -0.00005 101 4YY 0.00124 -0.00120 0.00299 0.00304 -0.00014 102 4ZZ 0.00094 -0.00157 -0.00072 0.00132 -0.00001 103 4XY 0.00289 -0.00631 -0.00043 -0.00240 0.00011 104 4XZ -0.00334 0.00014 0.00024 -0.00040 -0.00008 105 4YZ 0.00238 0.00202 -0.00051 0.00032 0.00000 106 8 C 1S -0.00941 0.02592 0.00567 -0.01236 0.00043 107 2S 0.01802 -0.05156 -0.01645 0.02486 -0.00092 108 2PX -0.01754 0.04737 0.04112 0.15368 -0.00645 109 2PY 0.07015 -0.11204 0.17826 -0.01123 0.00004 110 2PZ 0.01607 0.01658 -0.03115 -0.02100 0.00172 111 3S 0.04452 -0.11952 -0.02064 0.06052 -0.00074 112 3PX -0.00156 -0.00496 -0.01196 0.05662 -0.00255 113 3PY 0.01398 -0.01762 0.05578 -0.03041 -0.00003 114 3PZ 0.01606 0.00930 -0.00546 -0.00337 0.00065 115 4XX -0.00494 0.00856 -0.00465 -0.00753 0.00024 116 4YY 0.00522 -0.00955 0.00997 0.00439 -0.00014 117 4ZZ -0.00034 0.00233 -0.00035 -0.00120 0.00005 118 4XY -0.00057 -0.00104 -0.00051 -0.00697 0.00019 119 4XZ -0.00082 -0.00163 0.00079 0.00231 -0.00009 120 4YZ -0.00136 0.00216 -0.00186 0.00022 -0.00003 121 9 C 1S 0.01392 -0.03070 0.01658 0.00780 -0.00050 122 2S -0.02807 0.06184 -0.03348 -0.01191 0.00095 123 2PX 0.00603 -0.00647 0.01869 -0.17992 0.00680 124 2PY -0.03969 0.05664 0.00087 -0.06183 0.00014 125 2PZ 0.00981 -0.00483 -0.00235 0.04467 -0.00098 126 3S -0.04933 0.11872 -0.05966 -0.04871 0.00224 127 3PX 0.00413 -0.02296 -0.03389 -0.01698 0.00150 128 3PY -0.01217 0.02282 0.03242 -0.01517 -0.00012 129 3PZ -0.00012 0.00101 0.00209 0.00697 -0.00007 130 4XX -0.00202 0.00143 -0.00542 -0.00166 -0.00000 131 4YY 0.00290 -0.00380 0.00754 -0.00261 0.00010 132 4ZZ 0.00092 -0.00182 0.00105 0.00041 -0.00002 133 4XY -0.00304 0.00690 -0.00020 -0.01544 0.00051 134 4XZ 0.00031 -0.00209 0.00126 0.00278 -0.00011 135 4YZ 0.00082 -0.00084 -0.00104 0.00350 -0.00011 136 10 C 1S -0.00600 0.01141 -0.01823 -0.00625 0.00038 137 2S 0.01263 -0.02410 0.04155 0.01039 -0.00079 138 2PX -0.01145 -0.04977 -0.17812 0.19118 -0.00546 139 2PY 0.03725 -0.05898 -0.03571 0.07731 0.00003 140 2PZ -0.01800 0.01569 0.03719 -0.04500 0.00107 141 3S 0.02144 -0.03720 0.06511 0.04082 -0.00146 142 3PX -0.00384 -0.00272 -0.01496 -0.00039 -0.00030 143 3PY 0.01592 -0.02134 0.03790 0.00638 0.00014 144 3PZ -0.00738 0.00306 -0.00319 -0.00033 0.00008 145 4XX 0.00132 -0.00338 0.00061 0.00525 -0.00022 146 4YY -0.00283 0.00590 -0.00684 -0.00304 0.00023 147 4ZZ -0.00000 -0.00050 -0.00335 0.00237 -0.00004 148 4XY 0.00174 -0.00303 0.00927 -0.01073 0.00014 149 4XZ -0.00118 0.00088 -0.00241 0.00095 -0.00000 150 4YZ 0.00085 -0.00040 -0.00111 0.00301 -0.00007 151 11 C 1S 0.00036 -0.00159 0.00111 -0.00610 0.00017 152 2S -0.00109 0.00402 -0.00225 0.01261 -0.00036 153 2PX 0.01369 0.01114 0.12807 -0.14161 0.00381 154 2PY 0.07051 -0.17922 0.08308 0.08650 -0.00696 155 2PZ -0.04600 0.01803 -0.03757 0.00866 0.00007 156 3S -0.00113 -0.00440 -0.02557 0.05478 -0.00158 157 3PX 0.00659 0.00920 0.07329 -0.08358 0.00230 158 3PY 0.03319 -0.08675 0.02716 0.04384 -0.00329 159 3PZ -0.02253 0.00786 -0.01820 0.00651 -0.00006 160 4XX 0.00036 -0.00347 -0.00129 0.00506 -0.00025 161 4YY -0.00362 0.00866 -0.00351 -0.00609 0.00043 162 4ZZ 0.00348 -0.00463 0.00718 -0.00175 -0.00009 163 4XY 0.00060 -0.00143 0.00584 -0.00357 -0.00004 164 4XZ -0.00047 -0.00034 0.00082 -0.00105 0.00002 165 4YZ -0.00033 -0.00243 0.00077 0.00124 -0.00010 166 12 H 1S -0.04555 0.11388 -0.04760 -0.06048 0.00469 167 2S -0.03442 0.08538 -0.04928 -0.04710 0.00393 168 13 H 1S 0.04043 -0.03587 0.06228 -0.01577 -0.00060 169 2S 0.03080 -0.02709 0.05215 -0.01898 -0.00036 170 14 H 1S 0.00756 -0.04296 0.06005 -0.01959 -0.00092 171 2S 0.00520 -0.03261 0.05023 -0.02223 -0.00064 172 15 O 1S -0.00285 0.01175 0.03351 -0.02599 0.00041 173 2S 0.00596 -0.02513 -0.07006 0.05365 -0.00092 174 2PX -0.03603 0.06533 0.07696 -0.12597 0.00162 175 2PY 0.01413 0.02413 0.23743 -0.19216 0.00392 176 2PZ -0.00682 -0.01683 -0.04953 0.05305 -0.00074 177 3S 0.01366 -0.04965 -0.13412 0.10303 -0.00146 178 3PX -0.02041 0.03565 0.03648 -0.06725 0.00083 179 3PY 0.00987 0.01088 0.13704 -0.11421 0.00240 180 3PZ -0.00437 -0.00888 -0.02703 0.03024 -0.00041 181 4XX -0.00258 0.00288 -0.00015 -0.00074 -0.00010 182 4YY 0.00136 0.00091 0.01314 -0.00964 0.00023 183 4ZZ 0.00034 -0.00026 -0.00057 0.00089 -0.00005 184 4XY -0.00048 0.00173 0.00794 -0.00769 0.00012 185 4XZ -0.00010 -0.00109 -0.00145 0.00168 -0.00001 186 4YZ -0.00071 -0.00063 -0.00392 0.00343 -0.00006 187 16 H 1S -0.02773 0.05146 -0.00525 -0.14005 0.00441 188 2S -0.01871 0.03672 0.01337 -0.14957 0.00434 189 17 H 1S 0.05424 -0.09637 0.10998 0.02245 -0.00085 190 2S 0.04668 -0.07445 0.10109 0.03981 -0.00090 191 18 H 1S 0.00382 -0.01284 0.04298 0.05117 -0.00235 192 2S 0.00929 -0.02626 -0.00400 0.07276 -0.00251 193 19 C 1S 0.00214 -0.00112 0.01041 0.00173 0.00005 194 2S -0.00307 0.00222 -0.02217 -0.00343 -0.00001 195 2PX 0.02522 0.18546 -0.09365 0.21676 -0.00552 196 2PY 0.08033 0.02511 0.11815 0.05134 -0.00222 197 2PZ 0.32745 0.06522 -0.02782 -0.06088 -0.00506 198 3S -0.02236 0.00871 -0.05557 -0.00358 -0.00082 199 3PX 0.01136 0.09275 -0.05243 0.10441 -0.00243 200 3PY 0.03861 0.00996 0.05273 0.01992 -0.00054 201 3PZ 0.15827 0.03419 -0.01058 -0.02706 -0.00297 202 4XX -0.00363 0.00303 0.00318 0.00481 -0.00000 203 4YY -0.00030 0.00247 -0.00575 0.00376 -0.00016 204 4ZZ 0.00481 -0.00555 0.00521 -0.00802 0.00014 205 4XY -0.00043 0.00298 -0.00015 0.01176 -0.00023 206 4XZ -0.01607 -0.00680 0.00191 -0.00265 0.00040 207 4YZ 0.00529 -0.00035 0.00085 -0.00475 -0.00014 208 20 H 1S 0.00299 0.09119 -0.00757 0.14874 -0.00327 209 2S 0.00962 0.06233 0.00737 0.13129 -0.00317 210 21 H 1S -0.15930 -0.10120 0.05956 -0.05965 0.00492 211 2S -0.12333 -0.07174 0.06029 -0.04615 0.00373 212 22 H 1S 0.18264 -0.00553 0.03045 -0.08484 -0.00185 213 2S 0.14741 -0.00121 0.03088 -0.07287 -0.00123 214 23 H 1S -0.01979 0.07705 0.05146 0.01723 0.00417 215 2S -0.00050 0.05876 0.04670 0.00588 -0.00112 216 24 H 1S 0.01334 -0.03696 -0.07187 -0.03875 0.00396 217 2S 0.00878 -0.02616 -0.04858 -0.03368 0.00365 218 25 H 1S 0.09717 -0.01621 -0.07312 -0.03190 0.00147 219 2S 0.07124 -0.01787 -0.05609 -0.02701 -0.00235 220 26 H 1S 0.01505 0.06473 0.09028 0.06139 0.00341 221 2S 0.00203 0.03587 0.06340 0.03196 0.00635 222 27 H 1S -0.01207 0.01046 0.04380 0.01467 -0.00014 223 2S -0.00584 0.00845 0.02018 -0.00015 0.00063 224 28 C 1S -0.00163 -0.00011 0.00558 0.00513 0.00013 225 2S 0.00353 0.00055 -0.01111 -0.01112 -0.00025 226 2PX 0.01704 -0.11088 -0.15918 -0.12084 -0.02954 227 2PY 0.06477 0.04010 -0.01287 0.00410 -0.08228 228 2PZ 0.08545 -0.04213 0.00744 0.00946 -0.30293 229 3S -0.00273 -0.01787 -0.02971 -0.02437 -0.00043 230 3PX 0.00781 -0.05589 -0.08179 -0.05985 -0.01443 231 3PY 0.03491 0.02609 -0.01395 -0.00327 -0.04028 232 3PZ 0.03395 -0.01846 0.00768 0.00418 -0.15006 233 4XX -0.00014 -0.00010 -0.00036 0.00084 0.00223 234 4YY -0.00007 -0.00277 -0.00452 -0.00442 -0.00244 235 4ZZ 0.00083 0.00459 0.00601 0.00454 0.00024 236 4XY 0.00011 0.00160 -0.00198 -0.00226 0.00400 237 4XZ -0.00564 0.00233 0.00164 0.00080 0.01725 238 4YZ -0.00018 0.00236 0.00364 0.00317 -0.00463 239 29 H 1S 0.02427 -0.01830 -0.07330 -0.05418 -0.00371 240 2S 0.01627 -0.01035 -0.04149 -0.03631 -0.00373 241 30 H 1S -0.05076 0.06255 0.05771 0.04180 0.16906 242 2S -0.04664 0.04931 0.05079 0.03818 0.14008 243 31 H 1S 0.05192 0.02253 0.04959 0.04388 -0.16426 244 2S 0.04417 0.01233 0.04223 0.04227 -0.13618 245 32 H 1S 0.04068 0.05382 -0.04353 -0.04092 -0.00035 246 2S 0.02827 0.04093 -0.02929 -0.03125 -0.00050 247 33 H 1S 0.01820 -0.09536 -0.00501 0.02633 0.17617 248 2S 0.01780 -0.07517 -0.00077 0.02643 0.14735 249 34 H 1S -0.08102 -0.05460 0.00805 0.01414 -0.17670 250 2S -0.06720 -0.03955 0.01081 0.01532 -0.14720 41 42 43 44 45 O O O O O Eigenvalues -- -0.37628 -0.37284 -0.37057 -0.36663 -0.36133 1 1 C 1S -0.00182 -0.00236 0.00071 -0.00770 -0.00611 2 2S 0.00448 0.00540 -0.00139 0.01557 0.01476 3 2PX 0.07788 0.14761 0.02037 -0.02327 0.21548 4 2PY -0.05422 -0.06564 -0.05034 0.21748 -0.09229 5 2PZ -0.00530 0.01587 -0.01594 -0.05863 0.00591 6 3S 0.00510 0.02080 -0.00369 0.04293 0.02334 7 3PX 0.03588 0.07398 0.00975 -0.00621 0.09758 8 3PY -0.02853 -0.02848 -0.02400 0.10938 -0.04339 9 3PZ -0.00041 0.00574 -0.00510 -0.02975 0.00269 10 4XX -0.00180 -0.00265 -0.00020 0.00124 -0.00860 11 4YY 0.00492 0.00803 0.00217 -0.00761 0.01526 12 4ZZ -0.00344 -0.00595 -0.00146 0.00214 -0.00892 13 4XY -0.00153 -0.00272 -0.00118 0.00915 -0.00417 14 4XZ 0.00137 -0.00070 0.00258 -0.00220 0.00102 15 4YZ -0.00269 -0.00447 -0.00102 0.00239 -0.00779 16 2 C 1S -0.00585 -0.00089 -0.00019 0.00012 -0.00397 17 2S 0.01368 0.00138 0.00070 0.00226 0.01256 18 2PX -0.02761 -0.03522 0.02365 -0.15669 -0.22685 19 2PY 0.02000 -0.03640 0.01238 -0.07517 0.10438 20 2PZ 0.00734 0.00297 0.01551 0.03559 -0.00701 21 3S 0.01280 0.00109 0.00075 -0.00617 0.00299 22 3PX -0.01449 -0.00762 0.00663 -0.03986 -0.07129 23 3PY 0.00719 0.01110 0.00585 -0.02548 0.02703 24 3PZ 0.00372 -0.00677 0.00607 0.01126 0.00121 25 4XX -0.00341 -0.00137 0.00122 -0.00400 -0.01236 26 4YY 0.00304 0.00123 -0.00093 0.00515 0.01416 27 4ZZ -0.00025 -0.00006 -0.00027 0.00028 0.00018 28 4XY 0.00175 0.00104 0.00061 0.00492 0.00246 29 4XZ 0.00238 -0.00248 0.00414 -0.00060 0.00091 30 4YZ -0.00191 -0.00001 -0.00059 -0.00220 -0.00509 31 3 C 1S 0.01053 0.00963 -0.00265 0.01586 0.02237 32 2S -0.02154 -0.01826 0.00752 -0.03564 -0.04765 33 2PX 0.03220 0.02689 0.00117 0.07789 0.22972 34 2PY 0.04103 0.07684 0.06747 -0.19836 -0.01721 35 2PZ 0.03473 -0.06775 0.06834 0.05218 -0.01047 36 3S -0.02729 -0.03886 0.00533 -0.04337 -0.05877 37 3PX 0.00349 -0.00796 0.00148 0.02665 0.06464 38 3PY 0.01823 0.00658 0.02716 -0.07517 0.00155 39 3PZ 0.02106 -0.02289 0.03951 0.02142 -0.00549 40 4XX 0.00319 0.00036 0.00204 -0.00456 -0.00118 41 4YY -0.00093 -0.00295 -0.00039 0.01108 0.00695 42 4ZZ -0.00060 0.00271 -0.00256 0.00130 0.00125 43 4XY 0.00225 0.00515 0.00294 -0.00265 0.00159 44 4XZ 0.00176 -0.00353 0.00346 0.00138 -0.00009 45 4YZ 0.00238 -0.00138 0.00336 -0.00329 -0.00164 46 4 C 1S -0.01023 -0.00412 -0.01222 0.00696 -0.00549 47 2S 0.02412 0.00591 0.02947 -0.01457 0.01445 48 2PX 0.03134 -0.13850 0.01756 0.02116 -0.07009 49 2PY -0.01929 -0.03242 0.05034 0.09277 -0.09196 50 2PZ 0.14236 -0.14694 0.24423 -0.02806 0.03968 51 3S 0.02970 0.03781 0.03333 -0.03251 0.01280 52 3PX 0.01011 -0.06987 0.00459 0.01064 -0.03005 53 3PY -0.01029 -0.02205 0.03012 0.02692 -0.05736 54 3PZ 0.06633 -0.06721 0.11525 -0.00434 0.02460 55 4XX 0.00031 -0.00220 0.00281 -0.00765 -0.00392 56 4YY -0.00419 0.00381 -0.00395 0.00751 0.00184 57 4ZZ 0.00038 0.00046 -0.00360 0.00127 -0.00081 58 4XY 0.00223 -0.00397 0.00425 -0.00474 0.00455 59 4XZ 0.00317 -0.00534 0.00809 0.00159 -0.00218 60 4YZ -0.00080 -0.00270 -0.00475 -0.00300 0.00084 61 5 C 1S 0.00295 0.01232 -0.00006 0.00460 0.01393 62 2S -0.00392 -0.02907 0.00250 -0.00991 -0.02962 63 2PX -0.09311 0.03671 -0.05801 -0.03749 -0.04485 64 2PY -0.04674 -0.10256 -0.06560 -0.00610 0.07995 65 2PZ -0.09944 0.23014 -0.22097 0.04613 0.03680 66 3S -0.03110 -0.04010 -0.00442 -0.02419 -0.05665 67 3PX -0.05171 0.01439 -0.02858 -0.02100 -0.03306 68 3PY -0.03015 -0.05261 -0.04132 -0.00063 0.04183 69 3PZ -0.04873 0.11573 -0.10839 0.02244 0.01675 70 4XX 0.00086 -0.00008 0.00640 0.00126 0.00309 71 4YY -0.00181 0.00688 -0.00554 -0.00165 -0.00171 72 4ZZ 0.00005 -0.00025 -0.00365 0.00201 -0.00054 73 4XY 0.00138 -0.00771 0.00336 -0.00408 0.00320 74 4XZ 0.00453 -0.00325 0.00862 -0.00087 -0.00232 75 4YZ 0.00036 -0.00095 -0.00323 0.00022 0.00498 76 6 C 1S -0.00667 -0.00699 -0.00891 -0.00193 -0.00529 77 2S 0.01536 0.01269 0.01731 0.00178 0.01249 78 2PX 0.04580 0.15545 0.09639 0.12177 -0.03704 79 2PY 0.05971 -0.02147 -0.11604 -0.06073 0.03530 80 2PZ -0.04230 0.03123 -0.04889 0.00647 0.01362 81 3S 0.02454 0.03088 0.04759 0.02275 0.01148 82 3PX -0.00354 0.04907 0.03306 0.04238 -0.01704 83 3PY 0.00250 -0.00300 -0.03922 -0.01741 -0.00967 84 3PZ -0.01210 0.02018 -0.02517 0.00335 0.01568 85 4XX -0.00245 0.00006 0.00435 0.00343 -0.00327 86 4YY 0.00283 -0.00471 -0.00375 -0.00528 0.00256 87 4ZZ -0.00166 0.00193 -0.00342 0.00029 -0.00013 88 4XY -0.00191 -0.00597 -0.00375 -0.00278 -0.00487 89 4XZ 0.00216 -0.00211 0.00256 -0.00042 0.00047 90 4YZ 0.00277 -0.00490 0.00757 0.00079 -0.00172 91 7 C 1S -0.00755 0.00169 0.00418 -0.00348 0.00474 92 2S 0.01327 -0.00083 -0.00402 0.00960 -0.01305 93 2PX -0.02560 -0.08184 -0.14202 -0.09001 -0.05230 94 2PY -0.03633 0.16451 0.08963 0.10304 -0.15514 95 2PZ -0.00504 0.02441 -0.02081 0.01277 0.04465 96 3S 0.05346 -0.02345 -0.05450 -0.00783 -0.01602 97 3PX 0.00312 -0.02161 -0.04009 -0.01920 -0.01415 98 3PY -0.01404 0.05983 0.02966 0.03212 -0.04739 99 3PZ -0.00730 0.01692 -0.01532 0.00678 0.01549 100 4XX 0.00151 0.00558 0.00419 0.00400 -0.00666 101 4YY 0.00009 -0.01014 -0.00663 -0.00734 0.01076 102 4ZZ -0.00108 0.00064 0.00052 0.00003 -0.00010 103 4XY -0.00485 -0.00256 -0.00124 -0.00247 -0.00239 104 4XZ 0.00100 -0.00226 0.00086 -0.00084 0.00153 105 4YZ 0.00044 0.00290 0.00108 0.00218 -0.00141 106 8 C 1S -0.00568 -0.01274 -0.00925 -0.00558 0.00624 107 2S 0.01607 0.02854 0.01788 0.01311 -0.01691 108 2PX 0.13321 0.05545 0.04342 0.06035 0.06333 109 2PY -0.12005 -0.06940 0.04940 -0.04648 0.14357 110 2PZ -0.01360 0.01982 -0.03404 0.00473 -0.02555 111 3S -0.00319 0.04710 0.04057 0.01622 -0.02538 112 3PX 0.05371 0.01505 0.00743 0.01401 0.02720 113 3PY -0.02337 -0.01205 0.01773 -0.00501 0.03825 114 3PZ -0.00960 0.00734 -0.01310 0.00293 -0.00647 115 4XX 0.00443 0.00478 -0.00146 0.00352 -0.00871 116 4YY -0.00880 -0.00742 0.00291 -0.00507 0.01232 117 4ZZ 0.00015 -0.00038 -0.00137 -0.00017 -0.00026 118 4XY 0.00018 -0.00510 -0.00639 -0.00436 -0.00155 119 4XZ -0.00063 -0.00078 0.00155 -0.00023 0.00191 120 4YZ 0.00183 0.00155 0.00112 0.00147 -0.00224 121 9 C 1S 0.00793 -0.00833 -0.00515 -0.00726 0.01031 122 2S -0.01724 0.01982 0.01485 0.01706 -0.01983 123 2PX -0.13319 -0.10331 -0.07865 -0.08656 -0.00782 124 2PY 0.15295 -0.01478 -0.11186 -0.01074 -0.05350 125 2PZ -0.00322 0.03219 0.01979 0.02310 0.01555 126 3S -0.03887 0.02854 0.01649 0.02826 -0.04946 127 3PX -0.04265 -0.01991 -0.01388 -0.02170 -0.00428 128 3PY 0.04640 -0.00819 -0.02917 -0.00345 0.00072 129 3PZ -0.00180 0.01183 0.00020 0.00762 0.00408 130 4XX 0.00685 0.00025 -0.00499 -0.00024 -0.00525 131 4YY -0.00717 -0.00391 0.00157 -0.00272 0.00531 132 4ZZ 0.00033 -0.00002 -0.00028 -0.00014 0.00045 133 4XY -0.00222 -0.00531 -0.00879 -0.00438 -0.00600 134 4XZ -0.00071 0.00009 0.00314 0.00044 0.00189 135 4YZ 0.00170 0.00172 0.00138 0.00127 0.00021 136 10 C 1S -0.00227 0.00372 -0.00247 0.00197 -0.01122 137 2S 0.00914 -0.00903 0.00161 -0.00500 0.02234 138 2PX 0.06124 0.06099 0.04554 0.04198 0.00790 139 2PY -0.18941 0.02053 0.13141 0.01432 0.06809 140 2PZ 0.01572 -0.00747 -0.03556 -0.00544 -0.00559 141 3S -0.01939 -0.00686 0.03585 -0.00126 0.05801 142 3PX 0.01870 0.00544 -0.00753 0.00397 -0.01025 143 3PY -0.05385 -0.00916 0.03177 -0.00593 0.03941 144 3PZ 0.00364 0.00418 -0.00797 0.00278 -0.00039 145 4XX 0.00366 0.00053 0.00109 0.00054 0.00216 146 4YY -0.00615 0.00163 0.00175 0.00102 -0.00377 147 4ZZ -0.00091 0.00139 0.00120 0.00091 0.00001 148 4XY 0.01048 -0.00343 -0.00991 -0.00283 -0.00458 149 4XZ -0.00236 -0.00010 0.00253 0.00006 -0.00034 150 4YZ -0.00107 0.00062 0.00181 0.00048 0.00137 151 11 C 1S -0.00002 -0.00162 -0.00326 -0.00152 -0.00289 152 2S -0.00024 0.00408 0.00767 0.00379 0.00583 153 2PX -0.02294 -0.03027 -0.03355 -0.02148 -0.02693 154 2PY 0.31405 0.05632 -0.06918 0.04015 -0.04924 155 2PZ -0.03913 -0.01515 0.02882 -0.00842 0.00477 156 3S 0.01293 0.01062 0.01499 0.00834 0.01695 157 3PX -0.02146 -0.01889 -0.01623 -0.01310 -0.01266 158 3PY 0.14774 0.02819 -0.03328 0.01952 -0.02761 159 3PZ -0.01634 -0.00693 0.01418 -0.00375 0.00268 160 4XX 0.00817 0.00146 -0.00109 0.00110 -0.00066 161 4YY -0.01871 -0.00346 0.00440 -0.00251 0.00247 162 4ZZ 0.00934 0.00140 -0.00368 0.00098 -0.00213 163 4XY 0.00961 0.00015 -0.00460 0.00019 -0.00323 164 4XZ -0.00091 -0.00079 0.00097 -0.00046 -0.00036 165 4YZ 0.00340 0.00030 -0.00004 0.00031 -0.00056 166 12 H 1S -0.21363 -0.03843 0.05047 -0.02719 0.03374 167 2S -0.18344 -0.02891 0.04593 -0.02126 0.02459 168 13 H 1S 0.07723 0.01428 -0.03686 0.00910 -0.01590 169 2S 0.06878 0.01118 -0.03652 0.00685 -0.01726 170 14 H 1S 0.08175 0.00101 -0.02311 0.00217 -0.02437 171 2S 0.07274 -0.00063 -0.02423 0.00064 -0.02508 172 15 O 1S 0.01348 -0.01484 -0.02085 -0.00969 0.00090 173 2S -0.02115 0.03362 0.04155 0.02184 -0.00571 174 2PX 0.16342 -0.01488 -0.12904 -0.00978 -0.08499 175 2PY 0.02824 -0.09709 -0.11125 -0.06753 0.01885 176 2PZ -0.03632 0.02630 0.02946 0.01772 0.02127 177 3S -0.07835 0.05422 0.09318 0.03549 0.00602 178 3PX 0.08986 -0.00509 -0.06927 -0.00365 -0.04906 179 3PY 0.01020 -0.06009 -0.06529 -0.04211 0.01331 180 3PZ -0.01948 0.01592 0.01542 0.01073 0.01252 181 4XX 0.01068 0.00032 -0.00579 0.00028 -0.00322 182 4YY -0.00204 -0.00467 -0.00356 -0.00324 0.00207 183 4ZZ 0.00211 0.00082 0.00018 0.00053 -0.00091 184 4XY 0.00544 -0.00192 -0.00558 -0.00135 -0.00199 185 4XZ -0.00279 0.00080 0.00179 0.00053 0.00117 186 4YZ -0.00050 0.00188 0.00114 0.00125 0.00034 187 16 H 1S -0.00879 -0.05740 -0.09228 -0.04730 -0.04683 188 2S 0.00422 -0.06403 -0.10514 -0.05341 -0.04932 189 17 H 1S -0.08068 -0.05121 0.03682 -0.03449 0.10029 190 2S -0.08508 -0.07255 0.01928 -0.04726 0.11192 191 18 H 1S 0.01795 -0.10593 -0.06550 -0.06739 0.10335 192 2S -0.01334 -0.07941 -0.03434 -0.05898 0.10358 193 19 C 1S -0.00833 0.00073 0.00550 0.00593 -0.00126 194 2S 0.01650 -0.00191 -0.01273 -0.01206 0.00159 195 2PX 0.04340 -0.16315 -0.14532 -0.05311 0.00654 196 2PY -0.04501 -0.00245 0.08836 0.06584 -0.05953 197 2PZ 0.04711 -0.08377 0.12572 0.00590 -0.04046 198 3S 0.04553 -0.00828 -0.02420 -0.03288 0.02166 199 3PX 0.02742 -0.07310 -0.07419 -0.02511 0.00248 200 3PY -0.01684 0.00454 0.04963 0.03538 -0.04025 201 3PZ 0.02149 -0.04362 0.06288 0.00530 -0.02202 202 4XX -0.00171 0.00018 -0.00135 0.00196 -0.00092 203 4YY 0.00265 -0.00489 -0.00408 -0.00311 0.00134 204 4ZZ -0.00186 0.00606 0.00800 0.00354 -0.00198 205 4XY -0.00137 -0.00989 -0.00762 -0.00364 0.00081 206 4XZ -0.00247 0.00859 -0.00359 0.00073 0.00217 207 4YZ 0.00155 -0.00122 0.00799 0.00147 -0.00256 208 20 H 1S -0.00005 -0.09289 -0.07370 -0.01917 -0.00269 209 2S -0.01805 -0.09271 -0.06201 -0.01937 0.00410 210 21 H 1S -0.04119 0.11897 0.00438 0.02856 0.01017 211 2S -0.04252 0.11007 0.00365 0.03861 0.00239 212 22 H 1S 0.01152 0.00002 0.13083 0.03194 -0.03987 213 2S 0.00490 0.00445 0.11305 0.03386 -0.03408 214 23 H 1S -0.03303 0.06014 -0.10482 0.03219 0.04107 215 2S -0.02657 0.05530 -0.08540 0.03387 0.03720 216 24 H 1S -0.01552 0.10111 -0.02568 0.00217 -0.05845 217 2S -0.00946 0.08054 -0.03206 0.00939 -0.03480 218 25 H 1S -0.04315 0.03694 -0.11650 -0.01093 -0.01471 219 2S -0.03935 0.03016 -0.10653 -0.00698 -0.01191 220 26 H 1S -0.03961 0.04927 -0.01739 0.07317 -0.03412 221 2S -0.03768 0.04599 -0.02332 0.09794 -0.01480 222 27 H 1S -0.02354 -0.05832 -0.02783 0.12671 0.03891 223 2S -0.01520 -0.04854 -0.02747 0.11818 0.05744 224 28 C 1S -0.00399 0.00167 -0.00068 0.00399 -0.01435 225 2S 0.00840 -0.00238 0.00147 -0.00673 0.03098 226 2PX 0.03061 -0.11305 -0.05349 0.23344 0.17174 227 2PY -0.02732 -0.02804 -0.02996 0.10638 -0.11801 228 2PZ -0.02610 0.04402 -0.02996 -0.05246 0.01240 229 3S 0.01664 -0.02036 0.00157 -0.01742 0.06852 230 3PX 0.01637 -0.05964 -0.02581 0.10440 0.08555 231 3PY -0.00719 -0.01070 -0.01164 0.04192 -0.05820 232 3PZ -0.01063 0.01720 -0.00875 -0.02096 0.00748 233 4XX -0.00060 -0.00067 0.00078 -0.00218 -0.00571 234 4YY 0.00110 -0.00351 -0.00251 0.01094 0.00801 235 4ZZ -0.00131 0.00441 0.00195 -0.00861 -0.00721 236 4XY 0.00029 -0.00435 -0.00205 0.01471 0.00203 237 4XZ 0.00208 -0.00038 0.00387 -0.00420 -0.00030 238 4YZ -0.00138 0.00351 0.00074 -0.00794 -0.00534 239 29 H 1S 0.00614 -0.06852 -0.03547 0.17643 0.03743 240 2S -0.00206 -0.05142 -0.03165 0.17416 0.02687 241 30 H 1S 0.00548 0.02441 0.04270 -0.08670 -0.06552 242 2S 0.00359 0.01670 0.04089 -0.07592 -0.07038 243 31 H 1S -0.02840 0.05514 -0.00397 -0.09411 -0.07259 244 2S -0.03105 0.04862 -0.00909 -0.08408 -0.07884 245 32 H 1S 0.05626 0.08692 0.03204 -0.13169 0.13642 246 2S 0.04596 0.07157 0.02723 -0.11416 0.12491 247 33 H 1S -0.03965 -0.05201 -0.02663 0.02058 -0.08987 248 2S -0.03810 -0.04369 -0.02518 0.01041 -0.09022 249 34 H 1S -0.02434 -0.06460 0.00510 0.02255 -0.08903 250 2S -0.02149 -0.05729 0.00839 0.01264 -0.08917 46 47 48 49 50 O O O O O Eigenvalues -- -0.35266 -0.34339 -0.33253 -0.31949 -0.30483 1 1 C 1S 0.00018 0.01217 0.00314 -0.02489 0.00212 2 2S -0.00052 -0.02378 -0.00710 0.05100 -0.00421 3 2PX -0.00851 -0.06107 0.04136 0.15627 -0.02000 4 2PY 0.00252 -0.13892 -0.05386 0.15205 -0.01182 5 2PZ -0.00440 0.05318 0.00904 -0.05039 -0.00185 6 3S -0.00011 -0.07864 -0.00822 0.14362 -0.01401 7 3PX -0.00372 -0.04501 0.01672 0.09836 -0.01208 8 3PY 0.00134 -0.07544 -0.01346 0.08168 -0.00862 9 3PZ -0.00165 0.02693 0.00276 -0.02967 0.00089 10 4XX 0.00046 -0.00245 -0.00471 -0.00033 0.00080 11 4YY -0.00065 0.00459 0.00704 -0.00139 -0.00067 12 4ZZ 0.00027 0.00142 -0.00255 -0.00395 0.00046 13 4XY 0.00031 -0.00699 -0.00343 0.00704 -0.00001 14 4XZ 0.00033 0.00128 0.00128 -0.00282 0.00089 15 4YZ 0.00034 -0.00058 -0.00280 -0.00172 0.00065 16 2 C 1S -0.00031 -0.00002 0.01391 -0.00069 -0.00342 17 2S 0.00058 0.00002 -0.02744 0.00277 0.00720 18 2PX 0.01197 0.02256 -0.12498 -0.08011 0.02930 19 2PY -0.00451 0.17593 0.09714 -0.20634 0.01180 20 2PZ 0.00494 -0.06154 -0.01286 0.05606 0.00913 21 3S 0.00180 0.00408 -0.05382 0.00078 0.01721 22 3PX 0.00437 -0.00094 -0.01952 -0.03021 0.00981 23 3PY -0.00032 0.01848 0.01661 -0.00087 -0.00094 24 3PZ 0.00155 -0.00800 -0.00439 0.00022 0.00802 25 4XX 0.00066 -0.00380 -0.00241 0.00251 0.00013 26 4YY -0.00066 0.00392 0.00614 -0.00220 -0.00054 27 4ZZ -0.00010 0.00013 0.00054 0.00042 -0.00030 28 4XY 0.00015 -0.00917 -0.00422 0.01726 -0.00078 29 4XZ 0.00061 0.00144 0.00166 -0.00559 0.00165 30 4YZ 0.00009 -0.00022 -0.00150 -0.00073 -0.00003 31 3 C 1S -0.00071 -0.00462 -0.00332 -0.01091 0.00176 32 2S 0.00201 0.00601 0.00795 0.02981 -0.00397 33 2PX -0.01041 0.00479 0.13012 0.12053 -0.02844 34 2PY 0.00665 -0.07396 -0.07283 0.20931 -0.00186 35 2PZ 0.01417 -0.01338 0.01819 -0.08124 0.03280 36 3S -0.00092 0.02844 0.00084 0.02761 -0.00788 37 3PX -0.00305 0.01550 0.05293 0.01262 -0.00340 38 3PY 0.00176 -0.00429 -0.01180 0.03326 0.00050 39 3PZ 0.00844 -0.02385 0.00388 -0.02365 0.01803 40 4XX 0.00041 -0.00212 -0.01083 0.00770 0.00192 41 4YY -0.00024 0.00249 0.01525 -0.01091 -0.00134 42 4ZZ -0.00046 -0.00040 -0.00097 -0.00080 -0.00066 43 4XY 0.00023 -0.00895 -0.00228 0.01572 -0.00080 44 4XZ 0.00058 0.00082 0.00279 -0.00518 0.00041 45 4YZ 0.00057 -0.00055 -0.00530 0.00245 0.00146 46 4 C 1S -0.00251 0.00960 0.00578 -0.01440 -0.00849 47 2S 0.00499 -0.01930 -0.01277 0.03074 0.01652 48 2PX 0.01237 0.11448 -0.17367 -0.14477 0.07461 49 2PY 0.01305 -0.05885 0.17854 -0.19816 -0.00756 50 2PZ 0.03702 -0.04167 0.01913 0.08217 0.05060 51 3S 0.01336 -0.05175 -0.02103 0.10058 0.03998 52 3PX 0.00661 0.05662 -0.06420 -0.09235 0.04066 53 3PY 0.00451 -0.01248 0.07993 -0.10733 -0.00208 54 3PZ 0.01784 -0.01710 0.00237 0.04201 0.02567 55 4XX 0.00058 -0.00009 -0.00023 0.00810 -0.00054 56 4YY -0.00070 -0.00237 0.01300 -0.00693 -0.00302 57 4ZZ -0.00072 0.00402 -0.01247 -0.00627 0.00130 58 4XY 0.00020 0.00422 -0.00087 0.01223 -0.00016 59 4XZ 0.00157 -0.00384 0.00884 -0.00210 0.00042 60 4YZ -0.00107 0.01057 -0.01451 0.00390 0.00165 61 5 C 1S -0.00058 -0.01647 -0.00874 -0.01051 -0.00062 62 2S 0.00218 0.03467 0.01936 0.02188 0.00323 63 2PX 0.00239 -0.02684 0.24673 0.11846 -0.02582 64 2PY -0.02349 0.24476 -0.06587 0.12703 0.00679 65 2PZ -0.04446 -0.01924 -0.06469 -0.05588 -0.06778 66 3S -0.00054 0.07799 0.05412 0.06899 -0.00085 67 3PX 0.00051 0.00807 0.11180 0.06412 -0.00982 68 3PY -0.00831 0.11020 -0.02096 0.05824 0.00982 69 3PZ -0.01727 -0.01243 -0.02070 -0.02526 -0.03003 70 4XX 0.00019 0.00458 0.00275 0.00748 0.00152 71 4YY 0.00042 -0.01384 0.00678 -0.00481 -0.00207 72 4ZZ -0.00123 0.00612 -0.01173 -0.00652 -0.00035 73 4XY 0.00100 0.00428 0.00326 0.01108 0.00311 74 4XZ 0.00315 -0.00894 0.00711 -0.00143 0.00658 75 4YZ -0.00134 0.01095 -0.01443 0.00373 0.00224 76 6 C 1S -0.00042 -0.00020 -0.00657 -0.01370 -0.00041 77 2S 0.00110 -0.00242 0.01807 0.03079 0.00077 78 2PX -0.00492 0.01579 -0.14678 -0.12931 0.02833 79 2PY 0.01459 -0.22164 -0.06425 -0.14021 0.01586 80 2PZ 0.02288 0.01496 0.05171 0.04542 0.14282 81 3S 0.00176 0.01970 0.00798 0.04895 0.00600 82 3PX -0.00021 0.00609 -0.04141 -0.04500 0.02333 83 3PY -0.00014 -0.02343 -0.00132 -0.01860 0.00859 84 3PZ 0.00511 -0.00572 0.01605 0.01627 0.08926 85 4XX 0.00038 0.01297 -0.00046 0.00463 0.00458 86 4YY 0.00066 -0.01488 0.00245 -0.00522 -0.00239 87 4ZZ -0.00102 0.00086 -0.00116 -0.00116 -0.00244 88 4XY 0.00058 0.00492 0.01237 0.00776 0.00059 89 4XZ 0.00384 -0.00424 0.00028 -0.00274 0.01253 90 4YZ -0.00120 0.00264 -0.00275 -0.00118 -0.00517 91 7 C 1S 0.00116 -0.01302 0.01293 0.00355 -0.00131 92 2S -0.00223 0.03194 -0.02402 -0.00368 0.00333 93 2PX 0.02213 -0.02895 0.15350 0.07164 0.04184 94 2PY 0.00499 0.14684 0.07667 0.05374 0.04253 95 2PZ 0.07294 -0.03232 -0.01788 -0.01904 0.27250 96 3S -0.00612 0.04073 -0.04609 -0.01357 -0.00060 97 3PX 0.01461 -0.01709 0.02460 0.00515 0.03436 98 3PY 0.00716 0.03128 0.01738 0.00349 0.02347 99 3PZ 0.05386 -0.01277 0.01088 -0.00000 0.16739 100 4XX 0.00069 0.00918 0.00757 0.00725 0.00111 101 4YY 0.00116 -0.01456 -0.00722 -0.00787 0.00208 102 4ZZ -0.00139 0.00001 0.00099 0.00077 -0.00336 103 4XY 0.00100 0.00301 0.00787 0.00597 0.00186 104 4XZ 0.00299 -0.00163 -0.00312 -0.00232 0.00336 105 4YZ 0.00148 0.00181 0.00054 0.00044 0.00784 106 8 C 1S -0.00002 -0.00545 -0.01118 -0.00883 0.00026 107 2S -0.00001 0.01413 0.02470 0.01928 -0.00036 108 2PX 0.01875 -0.03762 -0.12578 -0.08152 0.05947 109 2PY 0.02375 -0.10077 -0.09486 -0.05697 0.04987 110 2PZ 0.13204 0.01905 0.05176 0.02535 0.30964 111 3S -0.00057 0.03262 0.07452 0.06077 -0.00326 112 3PX 0.01330 -0.02076 -0.05242 -0.03354 0.03805 113 3PY 0.01345 -0.03078 -0.04874 -0.03285 0.03461 114 3PZ 0.07995 0.00767 0.02460 0.01190 0.19930 115 4XX 0.00079 0.00709 0.00277 0.00167 -0.00035 116 4YY -0.00067 -0.00945 -0.00634 -0.00381 -0.00150 117 4ZZ -0.00005 0.00004 -0.00006 -0.00019 0.00202 118 4XY 0.00012 -0.00104 0.00372 0.00196 -0.00144 119 4XZ 0.00356 -0.00064 -0.00174 -0.00074 -0.00115 120 4YZ -0.00420 0.00188 0.00022 0.00022 -0.00565 121 9 C 1S 0.00069 -0.01105 -0.00192 -0.00135 -0.00014 122 2S -0.00155 0.02347 0.00210 0.00235 0.00039 123 2PX 0.03545 -0.01193 0.06944 0.03926 0.03173 124 2PY 0.02478 0.00781 0.01721 -0.00063 0.02745 125 2PZ 0.16031 0.00757 -0.01198 -0.00622 0.18685 126 3S -0.00246 0.04975 0.01394 0.00686 0.00141 127 3PX 0.01761 0.00438 0.03407 0.02451 0.02111 128 3PY 0.01359 -0.01122 -0.01224 -0.01290 0.01840 129 3PZ 0.08915 0.00425 -0.00183 -0.00182 0.12456 130 4XX -0.00139 0.00227 0.00421 0.00227 -0.00337 131 4YY -0.00105 -0.00383 -0.00261 -0.00157 0.00195 132 4ZZ 0.00271 -0.00012 0.00009 0.00016 0.00136 133 4XY -0.00129 0.00250 0.00701 0.00382 -0.00046 134 4XZ -0.00430 -0.00082 -0.00252 -0.00114 -0.01010 135 4YZ -0.00466 -0.00047 -0.00028 -0.00038 0.00725 136 10 C 1S -0.00016 0.00827 0.00868 0.00520 -0.00018 137 2S 0.00039 -0.01718 -0.01728 -0.01047 0.00035 138 2PX 0.04161 0.00245 -0.02106 -0.01141 -0.01859 139 2PY 0.03680 -0.01099 -0.03344 -0.00965 -0.01432 140 2PZ 0.24546 0.02337 -0.00603 0.00280 -0.10386 141 3S 0.00013 -0.03757 -0.04719 -0.02766 0.00085 142 3PX 0.02674 0.00796 0.00207 0.00140 -0.01128 143 3PY 0.02335 -0.02260 -0.02745 -0.01558 -0.00956 144 3PZ 0.14860 0.01551 -0.00541 0.00162 -0.06581 145 4XX -0.00658 -0.00299 -0.00278 -0.00239 0.00254 146 4YY -0.00209 0.00421 0.00427 0.00318 0.00418 147 4ZZ 0.00850 0.00125 -0.00050 0.00009 -0.00672 148 4XY -0.00439 0.00045 0.00401 0.00185 0.00402 149 4XZ -0.02031 -0.00112 0.00108 0.00028 0.00744 150 4YZ -0.00682 -0.00177 -0.00043 -0.00080 0.01550 151 11 C 1S 0.00011 0.00218 0.00392 0.00283 -0.00003 152 2S -0.00026 -0.00397 -0.00846 -0.00591 0.00014 153 2PX -0.04115 0.01652 0.02988 0.01997 0.00607 154 2PY -0.03838 0.01211 -0.00386 -0.00507 0.00510 155 2PZ -0.23535 -0.02195 0.00438 -0.00249 0.03414 156 3S -0.00067 -0.01474 -0.02068 -0.01554 -0.00030 157 3PX -0.01988 0.00894 0.01526 0.01083 0.00085 158 3PY -0.01877 0.00894 0.00340 0.00083 0.00032 159 3PZ -0.11488 -0.01096 0.00064 -0.00194 0.00314 160 4XX -0.00542 -0.00061 -0.00048 -0.00055 0.00144 161 4YY -0.00231 -0.00065 0.00087 0.00072 0.00061 162 4ZZ 0.00775 0.00168 0.00013 0.00027 -0.00204 163 4XY -0.00435 0.00094 0.00131 0.00053 0.00109 164 4XZ -0.01645 -0.00118 0.00084 0.00012 0.00447 165 4YZ -0.00886 -0.00057 0.00010 -0.00016 0.00213 166 12 H 1S 0.00189 -0.01002 0.00246 0.00309 0.00010 167 2S 0.00154 -0.00348 0.00829 0.00777 0.00005 168 13 H 1S 0.14422 0.01914 -0.00064 0.00268 -0.02675 169 2S 0.13884 0.02046 0.00202 0.00484 -0.04249 170 14 H 1S -0.14533 -0.00148 0.01079 0.00311 0.02672 171 2S -0.13963 -0.00046 0.01463 0.00535 0.04227 172 15 O 1S 0.00051 -0.00610 -0.00066 -0.00201 -0.00013 173 2S -0.00117 0.01502 0.00328 0.00529 0.00022 174 2PX 0.06426 0.04935 0.05113 0.03271 -0.04669 175 2PY 0.05877 -0.04210 -0.01261 -0.01719 -0.03896 176 2PZ 0.35954 0.03187 -0.03293 -0.00469 -0.25440 177 3S -0.00160 0.01941 -0.00229 0.00541 0.00084 178 3PX 0.04152 0.02957 0.02962 0.01944 -0.03156 179 3PY 0.03788 -0.02655 -0.00816 -0.01077 -0.02629 180 3PZ 0.23174 0.02092 -0.02080 -0.00278 -0.17232 181 4XX 0.00427 0.00139 0.00106 0.00051 -0.00318 182 4YY 0.00472 -0.00223 -0.00126 -0.00105 -0.00248 183 4ZZ -0.00883 -0.00049 0.00066 0.00001 0.00558 184 4XY 0.00525 0.00074 0.00081 0.00041 -0.00324 185 4XZ 0.01295 0.00104 -0.00137 -0.00023 -0.00941 186 4YZ 0.01632 0.00187 -0.00102 0.00005 -0.00898 187 16 H 1S 0.00302 0.01154 0.05719 0.02882 -0.00169 188 2S 0.00372 0.00838 0.06421 0.03231 -0.00194 189 17 H 1S 0.00270 -0.06779 -0.05416 -0.02917 0.00104 190 2S 0.00286 -0.07830 -0.05474 -0.03109 -0.00096 191 18 H 1S 0.00446 -0.10704 -0.06570 -0.05341 0.00033 192 2S 0.00582 -0.12755 -0.06783 -0.06832 -0.00310 193 19 C 1S -0.00123 0.01926 0.00270 0.00822 0.00058 194 2S 0.00240 -0.03830 -0.00451 -0.01555 -0.00128 195 2PX -0.00423 0.00778 0.06434 0.01476 -0.01782 196 2PY -0.01577 0.23349 0.04988 0.11132 -0.00379 197 2PZ -0.01590 -0.04647 0.01412 -0.04878 -0.07205 198 3S 0.00845 -0.11991 -0.02324 -0.05656 -0.00116 199 3PX -0.00085 -0.00824 0.02622 -0.00376 -0.00812 200 3PY -0.00814 0.14143 0.03176 0.07757 0.00042 201 3PZ 0.00084 -0.02795 0.01283 -0.02871 -0.01711 202 4XX -0.00010 0.00743 0.00089 0.00280 0.00181 203 4YY 0.00004 -0.00435 0.00146 -0.00040 -0.00168 204 4ZZ -0.00028 0.00305 -0.00178 0.00050 0.00021 205 4XY -0.00023 0.00655 0.00702 0.00704 -0.00034 206 4XZ 0.00169 -0.00153 -0.00223 -0.00012 0.00680 207 4YZ -0.00123 -0.00002 -0.00087 -0.00249 -0.00642 208 20 H 1S -0.00462 0.07789 0.05463 0.05544 -0.00252 209 2S -0.00412 0.08340 0.05900 0.06464 -0.00029 210 21 H 1S 0.01106 0.02493 -0.03050 0.01428 0.05447 211 2S 0.01381 0.02361 -0.02237 0.00146 0.06934 212 22 H 1S -0.01306 0.01552 -0.00685 -0.01567 -0.04853 213 2S -0.01843 0.02722 -0.01721 -0.01682 -0.06584 214 23 H 1S -0.03182 0.09720 -0.14653 -0.02794 -0.02954 215 2S -0.03287 0.09629 -0.16414 -0.03736 -0.03668 216 24 H 1S 0.00647 -0.15871 0.09296 -0.07401 -0.02677 217 2S 0.00779 -0.16985 0.09074 -0.10001 -0.02270 218 25 H 1S -0.01664 0.07288 -0.14201 -0.03018 0.01025 219 2S -0.02111 0.07930 -0.15320 -0.03849 -0.00800 220 26 H 1S 0.00002 -0.07368 0.14975 -0.10037 -0.02539 221 2S 0.00017 -0.07672 0.15345 -0.11708 -0.02908 222 27 H 1S -0.00364 0.05629 0.09881 -0.13495 -0.00345 223 2S -0.00474 0.06133 0.11822 -0.17239 -0.00708 224 28 C 1S 0.00066 -0.01572 -0.00633 0.01563 -0.00137 225 2S -0.00138 0.03138 0.01252 -0.02912 0.00276 226 2PX -0.00730 0.05312 0.01203 -0.01044 0.00458 227 2PY 0.00538 -0.14154 -0.12877 0.18897 -0.00149 228 2PZ -0.00563 0.04058 0.03618 -0.04696 -0.00746 229 3S -0.00339 0.09027 0.04624 -0.11306 0.00802 230 3PX -0.00412 0.04103 0.00806 -0.02740 0.00314 231 3PY 0.00340 -0.07580 -0.08754 0.11985 0.00132 232 3PZ -0.00203 0.02017 0.02193 -0.02978 -0.00207 233 4XX 0.00034 -0.00177 -0.00319 0.00097 0.00038 234 4YY -0.00041 0.00060 0.00060 0.00252 -0.00023 235 4ZZ 0.00033 -0.00262 -0.00143 0.00123 0.00003 236 4XY 0.00005 -0.00680 -0.00300 0.01011 -0.00037 237 4XZ 0.00041 0.00106 0.00079 -0.00297 0.00092 238 4YZ 0.00007 -0.00001 -0.00057 -0.00108 -0.00037 239 29 H 1S -0.00079 -0.04719 -0.04278 0.08386 0.00001 240 2S -0.00083 -0.06499 -0.02473 0.09533 -0.00482 241 30 H 1S 0.00575 -0.02143 -0.01337 0.00087 0.00498 242 2S 0.00619 -0.02493 -0.01859 0.00130 0.00628 243 31 H 1S 0.00014 -0.01271 -0.01051 0.00429 -0.00520 244 2S -0.00026 -0.01563 -0.01446 0.00610 -0.00755 245 32 H 1S -0.00549 0.06676 0.05492 -0.03694 -0.00238 246 2S -0.00541 0.07639 0.06831 -0.06593 -0.00172 247 33 H 1S 0.00089 0.01364 -0.02684 -0.03302 0.00171 248 2S 0.00066 0.01708 -0.02749 -0.04242 0.00170 249 34 H 1S 0.00615 0.00131 -0.02441 -0.03861 0.01099 250 2S 0.00644 0.00277 -0.02422 -0.04913 0.01326 51 52 53 54 55 O O O V V Eigenvalues -- -0.23339 -0.23176 -0.21984 -0.06085 0.02810 1 1 C 1S 0.00082 -0.00010 -0.00207 -0.00207 0.00163 2 2S -0.00163 0.00037 0.00405 0.00400 -0.00277 3 2PX -0.01152 0.00349 0.00817 0.00643 -0.00446 4 2PY -0.02348 0.00885 -0.00209 0.00532 -0.01033 5 2PZ -0.07313 0.03024 -0.03641 -0.00365 -0.02060 6 3S -0.00617 -0.00062 0.01091 0.01037 -0.02274 7 3PX -0.00405 0.00048 0.00795 0.00607 -0.00926 8 3PY -0.00721 0.00160 0.00428 0.00741 -0.03502 9 3PZ -0.01052 0.00475 -0.00598 0.00021 -0.07905 10 4XX 0.00252 -0.00097 0.00048 -0.00057 -0.00199 11 4YY 0.00228 -0.00101 0.00178 0.00078 -0.00584 12 4ZZ -0.00459 0.00195 -0.00274 -0.00071 0.00810 13 4XY 0.00447 -0.00188 0.00224 0.00020 -0.00535 14 4XZ 0.01448 -0.00597 0.00705 0.00130 -0.01575 15 4YZ 0.00479 -0.00195 0.00213 0.00045 -0.01092 16 2 C 1S -0.00194 0.00048 0.00335 0.00329 -0.00208 17 2S 0.00432 -0.00099 -0.00737 -0.00815 0.00658 18 2PX 0.03560 -0.01265 -0.00518 -0.01055 -0.02250 19 2PY 0.08127 -0.03329 0.03607 0.00816 -0.09354 20 2PZ 0.29462 -0.12236 0.14864 0.02596 -0.33782 21 3S 0.00490 -0.00076 -0.02321 -0.02162 -0.00640 22 3PX 0.01823 -0.00868 -0.00268 -0.00698 -0.04847 23 3PY 0.05233 -0.02382 0.02616 0.00113 -0.12539 24 3PZ 0.20201 -0.08376 0.10505 0.02900 -0.40042 25 4XX 0.00221 -0.00098 0.00121 0.00027 0.00113 26 4YY -0.00175 0.00073 -0.00087 -0.00057 -0.00133 27 4ZZ -0.00107 0.00046 -0.00021 0.00018 -0.00083 28 4XY 0.00394 -0.00171 0.00313 0.00121 0.00349 29 4XZ 0.01715 -0.00701 0.00719 -0.00067 0.01682 30 4YZ -0.00348 0.00145 -0.00169 0.00000 -0.00324 31 3 C 1S 0.00218 -0.00024 -0.00408 -0.00560 0.00351 32 2S -0.00613 0.00015 0.00630 0.00688 -0.00907 33 2PX 0.01541 -0.00999 0.03845 0.02076 0.01809 34 2PY 0.08208 -0.03548 0.05450 0.01598 0.07774 35 2PZ 0.32060 -0.13054 0.12914 -0.01634 0.31733 36 3S 0.00235 -0.00016 0.04504 0.07388 0.02347 37 3PX 0.01678 -0.00698 0.02178 0.02920 0.02585 38 3PY 0.06737 -0.02740 0.05443 0.03860 0.13629 39 3PZ 0.23929 -0.09734 0.09979 -0.01943 0.40729 40 4XX -0.00083 0.00050 -0.00271 -0.00232 0.00673 41 4YY -0.00037 -0.00014 0.00081 0.00048 -0.00258 42 4ZZ 0.00171 -0.00075 0.00173 0.00082 -0.00128 43 4XY -0.00393 0.00154 -0.00162 -0.00050 0.00536 44 4XZ -0.01426 0.00600 -0.00853 -0.00227 0.01903 45 4YZ 0.00164 -0.00057 -0.00076 -0.00099 -0.00360 46 4 C 1S -0.00665 0.00283 0.01552 0.01864 -0.00626 47 2S 0.01012 -0.00431 -0.02913 -0.03384 0.02101 48 2PX 0.02743 -0.00732 -0.07527 -0.05612 0.02658 49 2PY -0.02460 0.01005 -0.01817 -0.00783 -0.00527 50 2PZ -0.05632 0.02350 -0.09392 -0.05126 0.04340 51 3S 0.04304 -0.02128 -0.10541 -0.16403 -0.01394 52 3PX 0.03338 -0.01377 -0.03165 -0.02578 0.07890 53 3PY -0.00207 0.00424 0.01189 0.03446 0.01852 54 3PZ -0.02021 0.01260 -0.06016 -0.07008 0.07072 55 4XX -0.00218 0.00016 0.00142 0.00324 -0.00333 56 4YY -0.00278 0.00108 0.00123 0.00080 -0.00322 57 4ZZ 0.00451 -0.00124 0.00094 -0.00145 0.00753 58 4XY -0.00566 0.00196 -0.00119 0.00256 -0.00879 59 4XZ -0.01437 0.00559 -0.00853 -0.00073 -0.01861 60 4YZ -0.00309 0.00139 -0.00249 0.00013 -0.00982 61 5 C 1S 0.02022 -0.00331 0.00882 -0.00010 0.02764 62 2S -0.03639 0.00412 -0.01896 -0.00030 -0.05178 63 2PX 0.06188 -0.04812 0.04951 0.00427 0.05205 64 2PY 0.02279 -0.01534 0.01495 0.00308 0.00864 65 2PZ 0.04472 -0.01277 0.09169 0.01286 0.06566 66 3S -0.12569 0.03563 -0.05576 -0.01344 -0.26413 67 3PX 0.03307 -0.01183 0.00824 -0.03374 -0.01281 68 3PY 0.00099 -0.00270 -0.02369 -0.02446 -0.08554 69 3PZ 0.04268 -0.02203 0.03486 -0.03518 0.11030 70 4XX 0.00354 -0.00130 -0.00161 -0.00332 0.00753 71 4YY 0.00131 -0.00008 0.00159 0.00011 -0.00068 72 4ZZ -0.00085 0.00081 0.00236 0.00371 -0.00358 73 4XY 0.00434 -0.00242 -0.00299 -0.00477 0.00892 74 4XZ 0.00205 -0.00121 -0.01344 -0.01399 0.00656 75 4YZ 0.00234 -0.00082 -0.00337 -0.00643 0.00571 76 6 C 1S -0.00317 0.00972 -0.00233 0.00076 -0.01278 77 2S 0.00616 -0.01562 0.00344 -0.00239 0.01483 78 2PX -0.02404 -0.01215 -0.06204 -0.05033 -0.01314 79 2PY 0.00741 0.02787 -0.04951 -0.04446 -0.00319 80 2PZ 0.13165 -0.06355 -0.26708 -0.29992 0.16464 81 3S 0.00781 -0.12112 0.02695 0.01597 0.17261 82 3PX -0.02522 -0.02768 -0.05628 -0.05070 -0.07945 83 3PY 0.00662 0.04715 -0.03998 -0.06056 -0.02774 84 3PZ 0.09234 -0.04454 -0.18890 -0.28259 0.21252 85 4XX -0.00120 -0.00272 -0.00448 0.00219 -0.00736 86 4YY -0.00002 0.00387 0.00192 0.00017 0.00079 87 4ZZ 0.00042 0.00075 0.00260 -0.00118 0.00254 88 4XY 0.00006 -0.00280 -0.00030 0.00068 -0.00059 89 4XZ 0.00282 -0.00028 -0.01350 0.00346 -0.01004 90 4YZ -0.00357 0.00159 0.00569 -0.00033 0.00422 91 7 C 1S 0.00045 -0.00803 0.00222 0.00030 0.00302 92 2S -0.00300 0.01471 -0.00589 -0.00026 -0.01372 93 2PX 0.02892 -0.02189 -0.03608 0.01590 -0.02048 94 2PY -0.02654 -0.10013 -0.03612 0.01730 -0.04160 95 2PZ 0.08503 -0.02268 -0.25193 0.09220 -0.18580 96 3S 0.02172 0.08832 -0.00438 -0.01234 0.02546 97 3PX -0.01697 -0.09905 -0.03449 0.02255 -0.03430 98 3PY -0.01834 -0.07292 -0.02446 0.02068 -0.03219 99 3PZ 0.06982 -0.00251 -0.19847 0.09276 -0.26026 100 4XX -0.00270 -0.00383 0.00512 0.00690 0.00079 101 4YY 0.00168 0.00677 -0.00196 0.00031 -0.00175 102 4ZZ 0.00174 -0.00129 -0.00331 -0.00753 -0.00006 103 4XY 0.00110 0.00107 0.00211 0.00403 0.00099 104 4XZ -0.00679 0.00395 0.01417 0.02283 -0.00563 105 4YZ 0.00095 -0.00230 -0.00464 0.00036 0.00502 106 8 C 1S 0.00072 0.00857 -0.00121 0.00014 -0.00259 107 2S -0.00207 -0.02010 0.00253 -0.00038 0.00649 108 2PX -0.03312 -0.00333 0.01930 0.05590 0.00167 109 2PY 0.00566 0.06245 0.01609 0.04546 0.00111 110 2PZ -0.07098 0.02611 0.13824 0.30428 0.06569 111 3S 0.02000 0.01786 0.00415 -0.00488 0.00282 112 3PX -0.02496 -0.02011 0.01426 0.05927 0.02746 113 3PY -0.00093 0.02908 0.01067 0.05466 0.00505 114 3PZ -0.04820 0.02366 0.09574 0.34032 0.09394 115 4XX -0.00478 -0.00367 0.00599 -0.00378 0.00216 116 4YY 0.00359 0.00819 -0.00052 0.00058 0.00230 117 4ZZ 0.00218 -0.00064 -0.00593 0.00305 -0.00520 118 4XY -0.00170 -0.00238 0.00303 -0.00142 0.00346 119 4XZ -0.00635 0.00489 0.01900 -0.01213 0.01279 120 4YZ 0.00047 -0.00130 -0.00163 0.00352 0.00434 121 9 C 1S -0.01184 -0.03022 0.00093 -0.00029 0.00226 122 2S 0.02414 0.06231 -0.00213 0.00054 -0.00527 123 2PX -0.00375 0.03332 0.05328 -0.04114 0.01982 124 2PY -0.09830 -0.17900 0.04682 -0.03312 0.00936 125 2PZ -0.10624 0.07884 0.28303 -0.22156 0.08766 126 3S 0.08863 0.21800 -0.00543 0.00490 -0.02317 127 3PX 0.00205 0.04193 0.04279 -0.05076 0.02060 128 3PY -0.07778 -0.13463 0.03806 -0.03909 -0.00193 129 3PZ -0.08646 0.05944 0.23521 -0.26512 0.09957 130 4XX -0.00204 -0.00802 -0.00073 -0.00558 -0.00055 131 4YY 0.00086 0.00338 0.00031 0.00430 0.00298 132 4ZZ -0.00068 -0.00073 0.00067 0.00129 -0.00188 133 4XY -0.00123 -0.00452 0.00006 0.00021 0.00197 134 4XZ 0.00283 0.00121 -0.00370 -0.01786 -0.00513 135 4YZ -0.00117 0.00068 0.00187 0.01664 0.01247 136 10 C 1S 0.00051 -0.00012 0.00023 -0.00001 0.00064 137 2S 0.00056 0.00378 -0.00051 -0.00004 -0.00094 138 2PX -0.04289 -0.09565 0.00813 -0.04712 -0.03641 139 2PY 0.03532 0.08873 0.00286 -0.04009 -0.03155 140 2PZ -0.00614 0.00804 0.03505 -0.26303 -0.20539 141 3S -0.00499 -0.00012 -0.00180 0.00032 -0.01379 142 3PX 0.01181 0.02692 0.00195 -0.03760 -0.03804 143 3PY -0.04022 -0.08967 0.00355 -0.03263 -0.03638 144 3PZ 0.00224 0.00982 0.01352 -0.21893 -0.21616 145 4XX -0.01528 -0.03453 0.00173 -0.00288 -0.00249 146 4YY 0.01347 0.03668 0.00381 -0.00611 -0.00119 147 4ZZ 0.00233 -0.00106 -0.00557 0.00895 0.00366 148 4XY -0.00118 0.00083 0.00372 -0.00563 -0.00180 149 4XZ 0.00186 0.00779 0.00260 -0.00852 -0.00825 150 4YZ -0.00956 -0.00297 0.01693 -0.02210 -0.00340 151 11 C 1S 0.01435 0.03328 -0.00063 -0.00007 0.00015 152 2S -0.02833 -0.06566 0.00116 0.00023 -0.00029 153 2PX 0.08893 0.20296 -0.00811 0.00661 -0.00355 154 2PY -0.00482 -0.01296 -0.00357 0.00583 -0.00205 155 2PZ -0.00654 -0.03849 -0.02240 0.03793 -0.01143 156 3S -0.09995 -0.23266 0.00474 -0.00042 -0.00187 157 3PX 0.06458 0.14618 -0.00743 0.00286 -0.01591 158 3PY 0.00311 0.00273 -0.00350 0.00171 -0.00812 159 3PZ -0.00202 -0.03130 -0.02362 0.01406 -0.07094 160 4XX -0.00070 -0.00219 -0.00081 0.00483 0.00397 161 4YY 0.00135 0.00321 0.00024 -0.00060 0.00023 162 4ZZ 0.00149 0.00393 0.00046 -0.00424 -0.00412 163 4XY 0.00178 0.00408 -0.00031 0.00201 0.00190 164 4XZ 0.00104 0.00022 -0.00264 0.01517 0.01263 165 4YZ -0.00071 -0.00041 0.00108 -0.00254 -0.00036 166 12 H 1S 0.00121 0.00142 0.00022 -0.00017 0.00088 167 2S 0.03095 0.07040 -0.00099 -0.00068 0.00386 168 13 H 1S 0.01046 0.03785 0.01337 -0.05315 -0.04020 169 2S 0.02846 0.06065 -0.00318 -0.06898 -0.14156 170 14 H 1S 0.01961 0.03334 -0.01500 0.05332 0.03920 171 2S 0.02405 0.06252 0.00061 0.06912 0.14360 172 15 O 1S -0.00002 0.00067 -0.00008 0.00004 -0.00043 173 2S 0.00251 0.00409 0.00017 0.00003 0.00083 174 2PX 0.17839 0.38223 -0.03719 0.04589 0.02622 175 2PY -0.13929 -0.35746 -0.01716 0.03933 0.02442 176 2PZ 0.06277 -0.04899 -0.16406 0.25818 0.15519 177 3S -0.01427 -0.03718 0.00102 0.00015 0.00357 178 3PX 0.12177 0.25813 -0.02806 0.04493 0.02801 179 3PY -0.10140 -0.26236 -0.01374 0.03778 0.02647 180 3PZ 0.04971 -0.03298 -0.12832 0.24894 0.15980 181 4XX 0.00647 0.01363 -0.00159 0.00041 -0.00069 182 4YY -0.00499 -0.01307 -0.00072 0.00038 -0.00019 183 4ZZ -0.00031 0.00227 0.00234 -0.00053 0.00064 184 4XY 0.00106 0.00063 -0.00132 0.00043 -0.00039 185 4XZ 0.00075 -0.00355 -0.00394 0.00099 -0.00122 186 4YZ 0.00269 0.00159 -0.00374 0.00108 -0.00115 187 16 H 1S -0.01817 -0.05263 0.00270 -0.00024 0.00334 188 2S -0.02789 -0.08162 0.00444 -0.00077 0.02175 189 17 H 1S 0.02033 0.05129 -0.00190 -0.00111 0.00326 190 2S 0.02770 0.07050 -0.00129 -0.00329 0.01670 191 18 H 1S 0.01377 0.05140 -0.00478 -0.00048 -0.00886 192 2S -0.02098 -0.02902 0.00135 0.00706 -0.02046 193 19 C 1S 0.00013 -0.00356 0.00063 0.00058 0.00296 194 2S -0.00024 0.00801 -0.00151 -0.00221 -0.00264 195 2PX -0.00335 -0.00061 0.01375 0.00313 0.00185 196 2PY -0.00912 -0.03723 0.01057 0.00140 0.00315 197 2PZ -0.03022 0.02008 0.05589 0.01282 0.01193 198 3S -0.00371 0.00662 -0.00411 0.00287 -0.04784 199 3PX 0.00477 0.00015 0.00771 -0.00264 0.03721 200 3PY -0.00659 -0.02749 0.00328 -0.00799 0.01384 201 3PZ -0.01212 0.00864 0.01135 0.00374 0.05121 202 4XX 0.00041 -0.00094 -0.00203 -0.00130 0.00008 203 4YY -0.00087 0.00044 0.00299 0.00379 -0.00161 204 4ZZ 0.00030 -0.00061 -0.00110 -0.00261 0.00210 205 4XY 0.00071 -0.00047 0.00156 0.00198 -0.00032 206 4XZ 0.00330 -0.00154 -0.00821 -0.00634 0.00381 207 4YZ -0.00572 0.00266 0.01146 0.01509 -0.00960 208 20 H 1S 0.00341 -0.00794 0.00544 0.00264 0.00231 209 2S 0.00772 -0.00145 0.00668 0.01253 0.00728 210 21 H 1S 0.02496 -0.01594 -0.05976 -0.04948 0.03088 211 2S 0.03886 -0.02369 -0.09135 -0.10504 0.14134 212 22 H 1S -0.02996 0.01026 0.05510 0.04673 -0.03065 213 2S -0.04152 0.01482 0.08987 0.10287 -0.09516 214 23 H 1S -0.01262 0.01106 0.04918 0.04270 -0.02626 215 2S 0.01560 0.00836 0.09800 0.10814 -0.01263 216 24 H 1S -0.01192 0.00486 0.01773 0.01516 -0.02727 217 2S 0.00480 0.01396 0.01784 0.03573 -0.04245 218 25 H 1S 0.07425 -0.02777 0.02808 -0.00547 0.05988 219 2S 0.08157 -0.02376 0.07376 0.02517 0.16263 220 26 H 1S -0.00100 -0.00033 0.01194 -0.00358 0.01179 221 2S -0.00835 0.00166 0.01450 -0.00610 0.05504 222 27 H 1S -0.00203 0.00057 -0.00039 0.00016 -0.00300 223 2S -0.00298 0.00087 0.00730 0.01245 0.00561 224 28 C 1S -0.00032 0.00005 0.00144 0.00134 0.00109 225 2S 0.00072 -0.00022 -0.00342 -0.00383 -0.00059 226 2PX -0.00539 0.00242 -0.00819 -0.00361 -0.00414 227 2PY -0.01889 0.00751 -0.00696 0.00206 -0.01146 228 2PZ -0.07056 0.02878 -0.03121 -0.00189 -0.02035 229 3S 0.00158 0.00069 -0.00622 -0.00394 -0.01397 230 3PX -0.00083 0.00124 -0.00136 0.00350 -0.01180 231 3PY -0.00445 0.00182 -0.00372 -0.00122 -0.03952 232 3PZ -0.01538 0.00640 -0.00657 0.00116 -0.09062 233 4XX 0.00175 -0.00067 0.00076 0.00019 -0.00141 234 4YY -0.00461 0.00189 -0.00241 -0.00057 0.00818 235 4ZZ 0.00298 -0.00125 0.00154 0.00025 -0.00612 236 4XY 0.00205 -0.00093 0.00135 0.00025 -0.00226 237 4XZ 0.01223 -0.00501 0.00571 0.00079 -0.01257 238 4YZ -0.00920 0.00383 -0.00462 -0.00104 0.01612 239 29 H 1S -0.00147 0.00044 -0.00098 -0.00031 0.00067 240 2S -0.00114 -0.00047 0.00360 0.00202 0.02566 241 30 H 1S 0.06838 -0.02805 0.03257 0.00473 -0.06369 242 2S 0.10464 -0.04292 0.05278 0.01491 -0.22822 243 31 H 1S -0.06692 0.02750 -0.03093 -0.00426 0.06378 244 2S -0.10325 0.04272 -0.04692 -0.00539 0.23234 245 32 H 1S -0.00082 0.00016 0.00157 0.00160 -0.00039 246 2S -0.00145 0.00050 0.00065 0.00312 -0.00409 247 33 H 1S -0.06902 0.02882 -0.03681 -0.00666 0.06159 248 2S -0.10714 0.04499 -0.05906 -0.01692 0.22320 249 34 H 1S 0.07224 -0.02937 0.03039 0.00303 -0.06021 250 2S 0.11232 -0.04578 0.04935 0.00670 -0.20961 56 57 58 59 60 V V V V V Eigenvalues -- 0.03628 0.08157 0.09726 0.09910 0.10706 1 1 C 1S 0.00281 -0.02227 -0.04787 -0.03186 -0.05928 2 2S -0.00539 0.02791 0.05700 0.03338 0.06677 3 2PX -0.00442 -0.02938 -0.05604 -0.04899 -0.07164 4 2PY -0.00234 0.00024 -0.04404 -0.05508 -0.07111 5 2PZ 0.02152 -0.00234 0.01695 0.02230 0.02547 6 3S -0.01090 0.32042 0.76504 0.55802 1.00425 7 3PX -0.00127 -0.06230 -0.16267 -0.13197 -0.22660 8 3PY 0.00830 -0.05045 -0.16899 -0.16997 -0.21088 9 3PZ 0.06461 0.01925 0.06709 0.07185 0.07201 10 4XX 0.00264 0.00120 -0.00238 -0.00093 -0.00566 11 4YY 0.00358 -0.00643 -0.00476 -0.00269 -0.00112 12 4ZZ -0.00552 -0.00065 -0.00451 -0.00434 -0.00717 13 4XY 0.00415 0.00225 0.00345 0.00340 0.00258 14 4XZ 0.01058 -0.00165 -0.00119 -0.00056 -0.00130 15 4YZ 0.00787 0.00059 -0.00044 -0.00038 -0.00255 16 2 C 1S -0.00301 0.00691 0.00003 -0.00210 -0.00349 17 2S 0.00753 0.00944 0.02297 0.02475 0.02696 18 2PX 0.03026 -0.00827 -0.00403 -0.00022 -0.00748 19 2PY 0.05836 -0.01577 -0.01328 -0.01958 -0.00775 20 2PZ 0.23420 -0.01634 0.00124 0.01746 -0.00138 21 3S 0.03710 -0.14688 0.02861 0.03269 0.10366 22 3PX 0.04725 -0.06924 0.01213 0.01012 0.05936 23 3PY 0.09068 -0.01906 0.00097 -0.00088 0.04259 24 3PZ 0.27634 -0.03287 -0.01348 0.00378 -0.01746 25 4XX -0.00153 -0.00055 0.00412 0.00262 0.00889 26 4YY 0.00225 0.00720 0.00571 0.00489 0.00168 27 4ZZ 0.00046 -0.00020 -0.00242 -0.00167 -0.00370 28 4XY -0.00498 -0.00106 -0.00350 -0.00684 -0.00442 29 4XZ -0.01162 0.00216 0.00020 0.00065 0.00016 30 4YZ 0.00248 -0.00341 -0.00265 -0.00184 -0.00108 31 3 C 1S 0.00523 0.00104 -0.02102 -0.01755 -0.03563 32 2S 0.00007 0.00623 0.04653 0.03955 0.07233 33 2PX -0.03887 -0.01337 0.01198 -0.00133 0.03004 34 2PY -0.08598 -0.02639 -0.04162 -0.07710 -0.03770 35 2PZ -0.21653 0.05085 0.01076 0.01852 0.00397 36 3S -0.13838 0.04074 0.25636 0.22930 0.36826 37 3PX -0.07050 -0.09246 0.09900 0.05433 0.17759 38 3PY -0.17844 -0.08102 -0.13952 -0.22431 -0.13826 39 3PZ -0.28366 0.10981 0.05217 0.05506 0.01392 40 4XX -0.00095 -0.00162 0.00115 0.00412 0.00186 41 4YY 0.00168 0.00557 -0.00056 -0.00125 -0.00378 42 4ZZ -0.00040 0.00034 -0.00088 -0.00172 -0.00221 43 4XY -0.00283 0.00375 0.00090 0.00227 -0.00273 44 4XZ -0.01229 0.00019 -0.00060 -0.00071 -0.00029 45 4YZ 0.00424 -0.00450 -0.00188 -0.00029 0.00102 46 4 C 1S -0.01600 -0.05554 -0.01992 -0.00915 0.02407 47 2S 0.02918 0.07447 0.01529 0.02480 -0.04014 48 2PX 0.03394 -0.04527 0.01249 0.01876 0.04695 49 2PY 0.00396 0.13821 0.03155 -0.00876 -0.04882 50 2PZ 0.03504 -0.08373 -0.04535 0.00284 0.02590 51 3S 0.17362 0.82403 0.36958 0.07400 -0.30731 52 3PX -0.05552 -0.12013 0.10360 0.01577 0.18340 53 3PY -0.09394 0.29264 0.13640 -0.00244 -0.08327 54 3PZ 0.07019 -0.25393 -0.11063 -0.05378 0.11886 55 4XX -0.00262 -0.00679 -0.00420 -0.00622 0.00207 56 4YY 0.00319 -0.00507 0.00139 0.00297 0.00549 57 4ZZ -0.00312 0.00164 -0.00196 0.00259 -0.00403 58 4XY 0.00163 0.00006 0.00530 -0.00012 0.00583 59 4XZ 0.01396 -0.00058 0.00008 0.00050 -0.00040 60 4YZ 0.00641 -0.00189 -0.00308 -0.00421 -0.00189 61 5 C 1S -0.02679 -0.02478 0.01136 -0.02376 0.01474 62 2S 0.04001 0.03804 -0.01367 0.01714 -0.01289 63 2PX -0.03925 -0.02025 -0.00426 -0.01118 0.05310 64 2PY -0.01607 0.03632 -0.02698 -0.04961 0.02042 65 2PZ -0.01707 0.07562 0.01101 0.07671 -0.04485 66 3S 0.34051 0.35598 -0.13616 0.45844 -0.27291 67 3PX 0.07841 -0.09233 0.02555 -0.00478 0.17829 68 3PY 0.06424 -0.01161 -0.04308 -0.15407 0.09275 69 3PZ -0.01948 0.26600 0.12759 0.15319 -0.09239 70 4XX -0.00200 0.00069 -0.00185 -0.00112 -0.00160 71 4YY -0.00025 -0.00735 0.00279 -0.00258 0.00273 72 4ZZ -0.00323 0.00200 0.00284 -0.00310 0.00250 73 4XY -0.00020 -0.00208 -0.00104 0.00335 -0.00163 74 4XZ 0.01220 0.00199 -0.00042 0.00440 -0.00204 75 4YZ 0.00673 -0.00524 -0.00602 0.00331 0.00175 76 6 C 1S 0.00853 0.00673 -0.00863 -0.00409 0.01251 77 2S -0.00476 0.00471 0.01013 0.01389 -0.04523 78 2PX 0.06924 -0.00738 0.01722 0.02794 -0.01215 79 2PY 0.05324 -0.00412 -0.01228 0.00569 0.02414 80 2PZ 0.22403 -0.02550 -0.06608 0.09227 -0.01820 81 3S -0.17523 -0.02730 0.07935 0.03408 -0.12450 82 3PX 0.13627 -0.05175 -0.03400 0.03224 0.00214 83 3PY 0.14236 -0.04711 0.01171 0.07452 0.09981 84 3PZ 0.25731 -0.04982 -0.10675 0.12447 -0.04595 85 4XX -0.00289 0.00382 -0.00001 -0.00611 0.00018 86 4YY 0.00291 0.00504 -0.00583 0.00449 -0.00413 87 4ZZ 0.00145 -0.00178 0.00130 0.00091 0.00187 88 4XY -0.00084 -0.00117 -0.00335 -0.00140 0.00739 89 4XZ -0.01116 -0.00168 0.00673 -0.01009 0.00231 90 4YZ 0.00752 -0.00653 -0.00543 0.00936 0.00074 91 7 C 1S -0.00316 -0.00874 -0.00147 -0.00738 0.00753 92 2S 0.01086 0.02817 -0.00540 0.01081 -0.01348 93 2PX -0.05227 -0.01072 0.01312 -0.03896 0.03417 94 2PY -0.03748 0.00025 0.00815 -0.06691 0.03019 95 2PZ -0.24923 0.02109 0.11345 -0.21249 0.02241 96 3S 0.02268 0.08642 0.09589 0.14917 -0.17922 97 3PX -0.08596 0.02952 0.05591 -0.03148 -0.09618 98 3PY -0.07676 -0.04039 0.08359 -0.13208 0.00708 99 3PZ -0.32244 0.06681 0.19604 -0.34823 0.06839 100 4XX -0.00350 -0.00265 0.00565 0.00617 -0.01080 101 4YY 0.00370 0.00336 -0.00778 0.00094 0.00699 102 4ZZ 0.00140 0.00134 0.00175 -0.00684 0.00224 103 4XY -0.00159 0.00289 -0.00957 -0.00055 0.00414 104 4XZ -0.00934 -0.00096 -0.00386 0.00535 0.00142 105 4YZ 0.00630 -0.00471 -0.00591 0.01390 -0.00306 106 8 C 1S 0.00134 -0.02782 0.03789 0.01249 -0.01828 107 2S -0.00385 0.05216 -0.06234 -0.01961 0.01848 108 2PX 0.01530 -0.00680 -0.01451 0.05684 -0.01265 109 2PY 0.01655 0.11612 -0.17546 -0.00522 0.09533 110 2PZ 0.04341 -0.04020 -0.11704 0.26779 -0.05177 111 3S 0.01780 0.31137 -0.53210 -0.18150 0.37911 112 3PX 0.01483 -0.04702 0.07691 0.14223 -0.19432 113 3PY 0.01382 0.27756 -0.38814 -0.02312 0.14303 114 3PZ 0.07363 -0.09604 -0.21761 0.45355 -0.04873 115 4XX 0.00707 0.00050 -0.00311 -0.00447 0.00887 116 4YY 0.00156 -0.00363 0.00640 0.00879 -0.01142 117 4ZZ -0.00792 -0.00073 0.00290 -0.00209 -0.00153 118 4XY 0.00405 0.00608 -0.00654 0.00235 0.00064 119 4XZ 0.01827 0.00026 0.00490 -0.00329 -0.00237 120 4YZ 0.00553 -0.00265 -0.00801 0.01394 -0.00055 121 9 C 1S -0.00079 -0.00516 0.02138 0.01177 -0.03799 122 2S 0.00231 0.00082 -0.03268 -0.02113 0.07399 123 2PX 0.02708 0.05983 -0.07598 -0.07107 0.10870 124 2PY 0.02511 0.03766 -0.05448 -0.06339 0.09180 125 2PZ 0.15059 0.01067 0.15033 -0.21428 -0.00407 126 3S 0.00051 0.15732 -0.38383 -0.17568 0.53462 127 3PX 0.03929 0.06730 -0.14362 -0.15166 0.27067 128 3PY 0.03720 0.08730 -0.16862 -0.14737 0.33323 129 3PZ 0.17923 0.02977 0.28966 -0.38315 -0.04579 130 4XX -0.00222 -0.00182 0.00484 -0.00288 -0.00200 131 4YY 0.00484 0.00348 -0.00331 -0.00099 0.00238 132 4ZZ -0.00307 -0.00246 0.00038 0.00512 -0.00277 133 4XY 0.00196 -0.00791 0.01178 0.00075 -0.00633 134 4XZ -0.00449 0.00196 0.00459 -0.01291 0.00302 135 4YZ 0.01665 0.00120 0.00010 -0.00169 0.00031 136 10 C 1S -0.00069 -0.00883 0.00961 0.00243 -0.00304 137 2S 0.00099 0.02146 -0.03004 -0.00938 0.02446 138 2PX -0.05149 0.00195 -0.03978 0.02928 0.02137 139 2PY -0.04194 0.02266 -0.04199 0.02999 0.00202 140 2PZ -0.28830 -0.03406 -0.10550 0.20433 -0.02876 141 3S 0.01146 0.06294 -0.07242 -0.02643 0.03039 142 3PX -0.06047 0.02694 -0.05376 0.02364 -0.01257 143 3PY -0.04339 0.04493 -0.09617 0.01127 0.10077 144 3PZ -0.30689 -0.04391 -0.09248 0.20013 -0.03445 145 4XX -0.00409 -0.00347 0.00163 0.00442 -0.00206 146 4YY -0.00057 0.00062 -0.00088 -0.00413 0.00606 147 4ZZ 0.00460 0.00012 0.00109 -0.00037 -0.00204 148 4XY -0.00231 0.00513 -0.00805 -0.00262 0.00680 149 4XZ -0.01175 -0.00153 -0.00534 0.01138 -0.00262 150 4YZ -0.00290 -0.00006 0.00788 -0.01027 -0.00108 151 11 C 1S 0.00002 -0.00303 0.01940 0.00803 -0.04901 152 2S -0.00039 -0.00127 -0.01543 -0.00758 0.05026 153 2PX -0.00276 0.03255 -0.08376 -0.00893 0.10454 154 2PY -0.00351 0.00302 -0.02099 0.01237 0.01623 155 2PZ -0.02493 -0.01657 -0.04022 0.11016 -0.03712 156 3S 0.00337 0.07308 -0.35949 -0.14470 0.84665 157 3PX -0.02026 0.07254 -0.21467 -0.00685 0.25833 158 3PY -0.01954 0.00002 -0.03693 0.05749 -0.00345 159 3PZ -0.12118 -0.04906 -0.15549 0.36891 -0.09966 160 4XX 0.00580 0.00126 0.00144 -0.00489 0.00094 161 4YY -0.00002 -0.00091 0.00425 0.00075 -0.00742 162 4ZZ -0.00582 -0.00208 0.00043 0.00655 -0.00654 163 4XY 0.00279 -0.00199 0.00496 -0.00214 -0.00214 164 4XZ 0.01784 0.00178 0.00807 -0.01370 0.00072 165 4YZ -0.00007 0.00068 0.00113 -0.00363 0.00123 166 12 H 1S -0.00039 0.00248 0.00264 0.00329 -0.01430 167 2S -0.00158 -0.00926 0.11032 0.05817 -0.30650 168 13 H 1S -0.05596 -0.00898 -0.02269 0.05260 -0.01494 169 2S -0.22446 -0.12456 0.00613 0.54843 -0.54656 170 14 H 1S 0.05641 0.00392 0.03361 -0.05033 -0.00210 171 2S 0.22247 -0.03207 0.49115 -0.36103 -0.41956 172 15 O 1S 0.00013 -0.00403 0.00658 0.00065 -0.00812 173 2S -0.00049 0.00746 -0.01579 -0.00449 0.02019 174 2PX 0.03921 0.00413 -0.00063 -0.02774 0.02852 175 2PY 0.03083 0.01235 -0.01235 -0.02602 0.02331 176 2PZ 0.21181 0.01423 0.06717 -0.10832 0.00424 177 3S -0.00272 0.04460 -0.06684 -0.00578 0.07803 178 3PX 0.03880 0.01133 -0.01343 -0.03528 0.04857 179 3PY 0.03159 0.01836 -0.01651 -0.02407 0.03013 180 3PZ 0.22072 0.01535 0.07940 -0.12262 0.00109 181 4XX -0.00076 -0.00174 -0.00166 0.00007 0.00238 182 4YY -0.00072 -0.00101 0.00149 0.00025 -0.00291 183 4ZZ 0.00103 -0.00053 0.00153 -0.00346 -0.00061 184 4XY -0.00085 0.00145 -0.00390 -0.00029 0.00396 185 4XZ -0.00226 -0.00090 -0.00288 0.00697 -0.00230 186 4YZ -0.00160 -0.00030 0.00012 0.00058 -0.00048 187 16 H 1S -0.00274 -0.02240 0.03280 0.01114 -0.02739 188 2S -0.01621 -0.25365 0.59116 0.24131 -0.79542 189 17 H 1S -0.00009 -0.02022 0.04390 0.02204 -0.04528 190 2S -0.01001 -0.48705 0.73075 0.24771 -0.48776 191 18 H 1S 0.00632 0.01355 -0.02195 -0.01098 0.03274 192 2S -0.00893 -0.03910 -0.07470 -0.16883 0.17316 193 19 C 1S -0.00454 -0.08512 0.04187 0.00092 0.03715 194 2S 0.01012 0.10737 -0.05799 0.00424 -0.04687 195 2PX 0.00310 -0.03847 -0.08345 -0.01855 0.13124 196 2PY -0.00002 0.09417 -0.07155 -0.01233 -0.00948 197 2PZ 0.01760 -0.05740 -0.02477 0.06928 0.00725 198 3S 0.03212 1.27451 -0.62270 -0.06437 -0.61804 199 3PX -0.00315 -0.06961 -0.18756 -0.02265 0.31910 200 3PY 0.03051 0.29964 -0.19411 0.02309 -0.07262 201 3PZ 0.08841 -0.17819 -0.14134 0.26967 0.01943 202 4XX 0.00169 -0.01047 0.00285 0.00092 0.00342 203 4YY -0.00439 -0.00325 0.00124 -0.00287 0.00150 204 4ZZ 0.00245 -0.00598 0.00266 0.00172 0.00326 205 4XY -0.00291 -0.00224 -0.00142 -0.00221 0.00230 206 4XZ 0.00638 -0.00124 -0.00391 0.00608 0.00005 207 4YZ -0.01444 0.00171 0.00623 -0.00699 0.00189 208 20 H 1S -0.00700 -0.03147 0.01477 -0.00367 -0.00086 209 2S -0.03669 -0.60471 0.51024 0.08051 -0.06682 210 21 H 1S 0.05074 -0.02294 -0.01980 0.04544 0.00792 211 2S 0.15980 -0.77831 -0.05436 0.29815 0.52228 212 22 H 1S -0.04572 0.00766 0.03821 -0.03456 0.00869 213 2S -0.20230 -0.44763 0.40625 -0.33128 0.41880 214 23 H 1S -0.02589 -0.00474 -0.00219 -0.01148 0.01435 215 2S -0.17059 -0.44300 0.00025 -0.26910 0.27779 216 24 H 1S -0.00113 -0.00038 0.02031 -0.01444 0.00226 217 2S -0.11085 -0.12534 0.00578 -0.39551 0.13504 218 25 H 1S -0.03892 0.00813 -0.01496 -0.00982 -0.02140 219 2S -0.10954 -0.25237 -0.25607 -0.10896 0.00691 220 26 H 1S 0.00882 -0.01939 -0.00427 0.02425 0.01882 221 2S 0.02514 -0.72549 -0.19561 0.05739 0.38243 222 27 H 1S 0.00066 0.02552 -0.00641 -0.01193 -0.02269 223 2S -0.04252 -0.03269 -0.29616 -0.39303 -0.41664 224 28 C 1S -0.00209 -0.06205 -0.06051 -0.04230 -0.03109 225 2S 0.00591 0.07863 0.08195 0.06123 0.04495 226 2PX 0.00420 0.03910 -0.03460 -0.04320 -0.10658 227 2PY -0.00016 0.07874 0.04535 0.00081 -0.01999 228 2PZ 0.02096 -0.02798 -0.00948 0.00633 0.01415 229 3S 0.00824 0.89623 0.88039 0.59093 0.45230 230 3PX -0.00717 0.08127 -0.13165 -0.16112 -0.32279 231 3PY 0.01774 0.24930 0.18876 0.06179 0.02183 232 3PZ 0.07602 -0.11348 -0.03929 -0.01525 0.03705 233 4XX 0.00098 -0.00746 -0.00640 -0.00428 -0.00241 234 4YY -0.00571 -0.00175 -0.00240 -0.00213 -0.00152 235 4ZZ 0.00473 -0.00571 -0.00464 -0.00254 -0.00302 236 4XY 0.00153 -0.00017 -0.00114 -0.00005 -0.00095 237 4XZ 0.00889 -0.00090 0.00036 0.00001 0.00028 238 4YZ -0.01120 0.00033 -0.00041 -0.00085 -0.00029 239 29 H 1S 0.00049 -0.01462 -0.01462 -0.00279 -0.00122 240 2S 0.00145 -0.62112 -0.37762 -0.13619 0.10174 241 30 H 1S 0.04416 -0.01673 -0.00884 -0.00818 -0.00433 242 2S 0.15822 -0.36808 -0.46051 -0.36316 -0.39781 243 31 H 1S -0.04445 -0.00094 -0.00794 -0.00580 -0.00746 244 2S -0.18181 -0.27336 -0.45712 -0.35303 -0.42857 245 32 H 1S -0.00227 -0.02283 -0.02057 -0.01569 -0.00654 246 2S -0.00547 -0.15311 -0.38105 -0.32058 -0.45939 247 33 H 1S -0.04002 0.00981 -0.00362 -0.00595 -0.01498 248 2S -0.14724 -0.14288 -0.38977 -0.29802 -0.51824 249 34 H 1S 0.04331 0.00419 -0.00327 -0.00083 -0.01753 250 2S 0.16342 -0.16973 -0.38271 -0.26651 -0.52805 61 62 63 64 65 V V V V V Eigenvalues -- 0.11854 0.12037 0.13355 0.14451 0.15165 1 1 C 1S -0.03429 0.02144 0.03153 0.03195 -0.07827 2 2S 0.05328 -0.02197 -0.02890 -0.04226 0.09000 3 2PX -0.05024 0.02930 0.10422 -0.13369 -0.01716 4 2PY 0.09387 0.02574 -0.03130 0.19539 -0.05994 5 2PZ -0.01635 -0.00872 -0.00591 -0.04111 0.01825 6 3S 0.43780 -0.38926 -0.60405 -0.49332 1.32657 7 3PX -0.19086 0.09239 0.34003 -0.43624 0.01792 8 3PY 0.21443 0.05496 -0.17477 0.59494 -0.09041 9 3PZ -0.05387 -0.01184 -0.00346 -0.13025 -0.02216 10 4XX -0.00347 0.00280 0.00532 0.00165 -0.00611 11 4YY -0.00247 -0.00121 -0.00618 0.00918 -0.00715 12 4ZZ -0.00133 0.00325 0.00800 -0.00311 -0.00399 13 4XY -0.00325 -0.00011 0.00307 -0.00666 -0.00057 14 4XZ 0.00024 0.00045 -0.00160 0.00112 -0.00188 15 4YZ 0.00072 0.00163 0.00387 -0.00363 0.00057 16 2 C 1S 0.00313 0.00021 0.00015 0.00542 0.00811 17 2S 0.00719 -0.00494 -0.01634 0.02113 -0.03028 18 2PX 0.02048 0.00783 0.00810 -0.01817 0.01874 19 2PY 0.05195 -0.00152 -0.03148 0.02179 0.04423 20 2PZ -0.01444 0.00235 -0.00667 -0.00683 -0.02660 21 3S -0.01965 -0.01358 -0.00992 -0.28558 -0.02526 22 3PX 0.13086 -0.02576 -0.14728 0.05836 0.15339 23 3PY -0.03233 -0.04740 -0.04825 -0.11872 0.29634 24 3PZ 0.01413 0.00760 0.01071 0.03578 -0.08201 25 4XX 0.00994 -0.00450 -0.01782 0.02218 -0.00441 26 4YY -0.00106 0.00130 0.00826 -0.01067 0.00314 27 4ZZ -0.00331 0.00153 0.00350 -0.00430 -0.00139 28 4XY 0.01214 0.00150 0.00105 0.00039 0.00751 29 4XZ -0.00499 0.00002 0.00214 -0.00288 -0.00290 30 4YZ 0.00062 -0.00055 -0.00043 0.00233 0.00244 31 3 C 1S 0.02947 0.01467 0.00122 0.01467 0.00891 32 2S -0.03358 -0.02735 -0.00700 -0.00044 -0.02802 33 2PX -0.05427 -0.01152 0.05569 -0.09676 0.00320 34 2PY 0.15535 0.01203 -0.04937 0.10893 -0.02084 35 2PZ -0.06621 0.00176 -0.00380 -0.02813 -0.03925 36 3S -0.60441 -0.14272 0.13027 -0.38296 -0.16727 37 3PX -0.00917 -0.04237 -0.04041 -0.28002 0.03924 38 3PY 0.44845 0.05099 -0.10881 0.32693 -0.13478 39 3PZ -0.21075 0.00777 0.04397 -0.07465 -0.05199 40 4XX -0.00693 0.00080 0.00564 -0.00484 -0.00788 41 4YY 0.00813 0.00111 0.00108 0.00590 0.00664 42 4ZZ 0.00278 0.00095 -0.00437 0.00195 -0.00167 43 4XY -0.00560 0.00222 0.00433 0.00386 -0.00870 44 4XZ 0.00175 -0.00026 -0.00298 -0.00023 0.00435 45 4YZ 0.00296 -0.00136 -0.00263 -0.00060 0.00408 46 4 C 1S 0.01203 -0.01947 -0.07640 -0.02303 0.00817 47 2S -0.01285 0.02959 0.09198 0.03372 -0.03145 48 2PX -0.06250 -0.02166 0.05047 0.00291 0.02396 49 2PY 0.12675 0.02561 0.05002 0.00092 0.06930 50 2PZ 0.06535 -0.03015 -0.03574 -0.00229 0.04444 51 3S -0.30186 0.26083 1.21685 0.37378 -0.06606 52 3PX -0.12094 -0.04461 0.21435 0.02435 -0.16015 53 3PY 0.19744 0.06823 0.15075 0.01430 0.14664 54 3PZ 0.31520 -0.11406 -0.00941 -0.01427 0.25730 55 4XX 0.00411 -0.00427 -0.00425 0.00906 0.00669 56 4YY 0.00079 -0.00125 0.00047 -0.01076 -0.00189 57 4ZZ -0.00281 0.00180 -0.01119 -0.00029 -0.00612 58 4XY 0.00056 -0.00112 0.00198 -0.00426 -0.00897 59 4XZ -0.00313 -0.00015 0.00092 0.00203 0.00030 60 4YZ 0.01057 -0.00001 -0.00359 -0.00140 -0.00062 61 5 C 1S 0.04904 -0.00374 0.04185 -0.01278 0.04051 62 2S -0.05961 -0.00497 -0.02912 0.03101 -0.04511 63 2PX -0.03846 -0.03861 0.12422 0.07042 0.06966 64 2PY 0.16668 -0.01819 -0.00603 -0.12687 -0.10331 65 2PZ -0.07784 0.03771 -0.04817 -0.02046 -0.09716 66 3S -0.81763 0.17598 -0.78343 0.09421 -0.74180 67 3PX -0.03085 -0.10780 0.50290 0.24187 0.27670 68 3PY 0.49230 -0.01794 -0.02503 -0.39832 -0.32935 69 3PZ -0.29474 0.10032 -0.03974 0.01849 -0.35888 70 4XX 0.00442 -0.00195 0.00215 0.00278 0.00903 71 4YY 0.00897 0.00400 -0.00082 -0.01004 -0.00396 72 4ZZ -0.00246 -0.00246 0.00984 0.00438 0.00293 73 4XY -0.00557 0.00217 -0.00225 0.00011 -0.00266 74 4XZ 0.00517 0.00304 0.01020 0.00057 -0.00106 75 4YZ -0.00142 -0.00379 0.00425 0.00601 0.00526 76 6 C 1S 0.00360 -0.00587 0.00893 -0.00050 0.00728 77 2S -0.00848 0.01425 -0.04106 -0.01573 -0.00217 78 2PX 0.00966 -0.01188 0.04794 0.03059 0.02208 79 2PY 0.04580 0.00276 0.03202 -0.02428 -0.08134 80 2PZ 0.08345 0.01257 0.04880 0.01970 0.06646 81 3S -0.22480 0.06556 -0.13735 0.13039 -0.19063 82 3PX -0.01543 0.01270 -0.00740 0.01031 -0.02648 83 3PY 0.07882 0.07470 0.19191 -0.01201 -0.27713 84 3PZ 0.17538 0.00836 0.18183 0.07999 0.21650 85 4XX 0.00662 0.00487 -0.01073 -0.01618 -0.01672 86 4YY -0.00914 -0.00260 -0.00304 0.00853 0.01348 87 4ZZ 0.00020 -0.00106 0.00721 0.00345 0.00126 88 4XY -0.00251 -0.00973 0.00935 0.00851 -0.00165 89 4XZ -0.00332 -0.00178 -0.00552 0.00056 0.00368 90 4YZ 0.00611 0.00049 -0.00188 -0.00291 0.00098 91 7 C 1S 0.01733 -0.02491 0.02153 0.00117 0.00492 92 2S -0.03707 0.05772 -0.04886 -0.01828 -0.02770 93 2PX -0.03721 0.00640 0.00449 0.03187 -0.01631 94 2PY 0.09783 -0.02180 0.01026 -0.09120 -0.07553 95 2PZ -0.09297 -0.02460 -0.10818 0.00046 0.00496 96 3S -0.24605 0.15377 -0.16234 0.16461 0.18525 97 3PX -0.24703 -0.04437 -0.11965 0.14643 0.06428 98 3PY 0.30158 -0.08264 0.07783 -0.21213 -0.08280 99 3PZ -0.19025 -0.01314 -0.16257 -0.03198 -0.08159 100 4XX -0.00419 -0.00019 -0.00172 0.00649 0.01640 101 4YY 0.00244 -0.00418 0.00643 -0.00222 -0.01026 102 4ZZ 0.00058 0.00019 -0.00081 -0.00248 -0.00277 103 4XY 0.00372 -0.00374 -0.00033 -0.00228 0.00625 104 4XZ -0.00067 0.00064 -0.00002 -0.00132 -0.00579 105 4YZ 0.00469 0.00198 0.00117 0.00119 0.00333 106 8 C 1S 0.00156 0.04295 -0.00381 -0.00386 -0.01880 107 2S -0.00798 -0.07311 -0.00153 0.01234 0.05594 108 2PX -0.00464 0.00559 0.00872 0.00887 -0.02270 109 2PY -0.00476 -0.11249 0.02899 -0.00540 -0.04228 110 2PZ 0.07602 0.04046 0.08713 0.01534 0.02219 111 3S 0.06542 -0.56328 0.12459 -0.04622 0.03738 112 3PX 0.00901 -0.04701 -0.03965 0.04737 0.13797 113 3PY -0.11048 -0.43117 0.03442 0.10053 0.07911 114 3PZ 0.16244 0.11063 0.14097 -0.00276 -0.00206 115 4XX 0.00708 0.00368 0.00358 -0.00921 -0.01621 116 4YY -0.00403 0.00221 -0.00157 0.00696 0.01037 117 4ZZ -0.00237 0.00061 -0.00335 0.00058 0.00217 118 4XY -0.00577 0.00111 -0.00308 0.00353 0.00293 119 4XZ 0.00031 -0.00020 0.00268 0.00197 0.00385 120 4YZ 0.00707 0.00109 0.00589 -0.00147 -0.00107 121 9 C 1S -0.00971 -0.02347 -0.00972 0.01739 0.03930 122 2S 0.02395 0.07445 0.01405 -0.03479 -0.06699 123 2PX -0.02942 0.03408 -0.00260 -0.00784 -0.04747 124 2PY -0.00034 -0.00352 0.01019 -0.03336 -0.08776 125 2PZ -0.04005 -0.02077 -0.04751 0.00089 0.02142 126 3S 0.03476 0.13301 0.14918 -0.17043 -0.51410 127 3PX 0.03298 0.07658 0.03729 -0.11769 -0.24682 128 3PY -0.00236 0.31183 0.00160 -0.12505 -0.34231 129 3PZ -0.10843 -0.08991 -0.10265 0.02786 0.08257 130 4XX -0.00375 0.00346 -0.00324 0.00432 0.01033 131 4YY -0.00208 0.00206 -0.00106 0.00216 0.00294 132 4ZZ 0.00246 0.00029 0.00119 -0.00125 -0.00160 133 4XY 0.00198 0.00841 -0.00043 -0.00056 0.00007 134 4XZ -0.00277 -0.00347 -0.00446 -0.00204 -0.00297 135 4YZ 0.00139 -0.00169 0.00243 -0.00005 -0.00017 136 10 C 1S 0.00063 0.01531 -0.00018 0.00362 0.01150 137 2S -0.00531 0.00251 -0.00280 0.00490 0.01176 138 2PX 0.00466 0.00187 0.01093 -0.01005 -0.03509 139 2PY -0.02157 0.00241 -0.01411 0.02635 0.04840 140 2PZ 0.04049 0.01070 0.03148 0.00094 0.00028 141 3S 0.05344 -0.17636 0.02593 -0.15016 -0.38278 142 3PX -0.01459 -0.08534 -0.01277 0.00687 0.02579 143 3PY -0.04905 0.21880 -0.05431 0.02374 0.02689 144 3PZ 0.03855 -0.00990 0.02058 -0.00704 -0.01372 145 4XX 0.00070 0.00705 -0.00061 0.00230 0.00758 146 4YY 0.00016 0.00789 -0.00016 -0.00120 -0.00222 147 4ZZ 0.00060 -0.00527 0.00071 -0.00068 -0.00153 148 4XY -0.00247 -0.00425 0.00015 0.00115 0.00159 149 4XZ 0.00295 -0.00120 0.00320 -0.00037 -0.00186 150 4YZ -0.00274 -0.00268 -0.00406 -0.00091 -0.00093 151 11 C 1S 0.00946 -0.11467 0.00844 -0.01629 -0.03539 152 2S -0.00835 0.13426 -0.01093 0.01726 0.04142 153 2PX -0.00691 0.13435 0.00312 0.01397 0.02303 154 2PY -0.00718 0.02882 -0.00276 0.02812 0.07598 155 2PZ 0.03640 -0.01783 0.04799 0.00246 -0.00569 156 3S -0.15121 1.86435 -0.12282 0.25857 0.54688 157 3PX -0.01098 0.34748 0.00781 0.03391 0.06707 158 3PY -0.03270 0.03890 -0.00985 0.13082 0.34624 159 3PZ 0.12175 -0.03232 0.16072 0.00502 -0.03074 160 4XX 0.00002 -0.00484 0.00032 -0.00243 -0.00628 161 4YY -0.00090 -0.01074 -0.00130 0.00223 0.00724 162 4ZZ 0.00335 -0.01098 0.00266 -0.00324 -0.00757 163 4XY 0.00114 0.00074 -0.00016 -0.00126 -0.00169 164 4XZ -0.00264 -0.00242 -0.00257 -0.00039 -0.00031 165 4YZ -0.00093 -0.00067 -0.00119 -0.00110 -0.00273 166 12 H 1S -0.00797 -0.02340 -0.00590 0.01534 0.04139 167 2S -0.01592 -0.66706 -0.00412 0.06361 0.22417 168 13 H 1S 0.01827 -0.01839 0.01832 -0.00965 -0.02676 169 2S 0.23991 -0.91223 0.26370 -0.15710 -0.41095 170 14 H 1S -0.00499 -0.02551 -0.00813 -0.01391 -0.03077 171 2S -0.02195 -0.99325 -0.09234 -0.22375 -0.48161 172 15 O 1S 0.00875 -0.01732 0.00529 -0.00655 -0.01123 173 2S -0.00889 0.02742 -0.00669 0.00528 0.01280 174 2PX 0.00487 0.03197 0.00419 0.00542 0.01835 175 2PY -0.00109 -0.00993 -0.00011 -0.00707 -0.00499 176 2PZ -0.01775 -0.00964 -0.01406 -0.00021 -0.00043 177 3S -0.10334 0.20373 -0.06816 0.08976 0.16635 178 3PX -0.00787 0.08952 -0.01333 0.02154 0.06465 179 3PY -0.03203 0.03158 -0.01557 0.01997 0.03569 180 3PZ -0.01414 -0.02664 -0.00840 -0.00726 -0.01595 181 4XX 0.00739 -0.00223 0.00414 -0.00524 -0.00730 182 4YY 0.00194 -0.00512 0.00012 -0.00101 0.00051 183 4ZZ 0.00471 -0.00819 0.00175 -0.00470 -0.00630 184 4XY 0.00008 0.00515 -0.00052 0.00026 0.00210 185 4XZ 0.00156 -0.00150 0.00193 0.00052 0.00042 186 4YZ 0.00043 -0.00151 0.00027 -0.00078 -0.00182 187 16 H 1S -0.00125 0.02318 -0.00473 0.01460 0.03802 188 2S -0.04729 -0.33917 -0.12173 0.26858 0.71184 189 17 H 1S -0.01786 0.03149 -0.01605 0.01687 0.02292 190 2S 0.03400 0.72868 -0.11665 0.00560 0.03321 191 18 H 1S 0.00584 -0.02490 0.02868 -0.00931 -0.04859 192 2S 0.49939 -0.25746 0.25091 -0.32052 -0.27572 193 19 C 1S 0.02276 0.01936 0.04546 0.00232 -0.06091 194 2S -0.04481 -0.02432 -0.05636 0.01455 0.07939 195 2PX -0.05743 -0.15384 0.07727 0.10785 0.02917 196 2PY 0.01705 -0.05945 -0.06005 -0.04937 -0.01021 197 2PZ -0.00877 0.00943 -0.15684 -0.09589 -0.07633 198 3S -0.22487 -0.30656 -0.80462 -0.18343 0.97036 199 3PX -0.16594 -0.41600 0.28967 0.39176 0.06836 200 3PY -0.00949 -0.10300 -0.15674 -0.07774 -0.13380 201 3PZ -0.00787 0.01159 -0.48074 -0.29230 -0.20335 202 4XX 0.00511 0.00281 0.00158 -0.00326 -0.00305 203 4YY 0.00113 0.00025 -0.00409 -0.00495 -0.00884 204 4ZZ -0.00210 -0.00050 0.01056 0.01012 0.00049 205 4XY 0.00219 0.00168 -0.00698 -0.00775 -0.00014 206 4XZ 0.00168 -0.00140 0.00016 0.00117 0.00061 207 4YZ -0.00863 -0.00130 -0.00390 0.00042 -0.00521 208 20 H 1S 0.02426 0.03180 -0.02898 -0.04686 -0.00505 209 2S 0.30570 0.63421 -0.04761 -0.42064 -0.43467 210 21 H 1S 0.01082 -0.00775 0.02654 0.02377 -0.00073 211 2S -0.02105 -0.20866 0.12367 0.13074 -0.47250 212 22 H 1S -0.03174 -0.00342 0.03468 0.03630 -0.01216 213 2S -0.03475 -0.08171 1.03308 0.63668 -0.07963 214 23 H 1S -0.02122 -0.02527 0.01068 0.02521 0.04211 215 2S 0.13073 -0.23848 0.65759 0.35910 0.95923 216 24 H 1S 0.05426 0.02013 0.00108 -0.04882 -0.02997 217 2S 1.05586 -0.02006 0.10047 -0.64178 -0.12547 218 25 H 1S 0.03090 0.00676 -0.04588 -0.00511 0.00624 219 2S 0.64403 -0.10916 -0.62659 -0.17052 0.32691 220 26 H 1S -0.04472 -0.01213 -0.00720 -0.01196 0.01428 221 2S -0.28097 -0.24702 -0.48655 -0.17422 -0.04501 222 27 H 1S 0.03396 0.00644 0.00225 0.02582 0.03728 223 2S 0.88107 0.14949 -0.18225 0.62366 0.06032 224 28 C 1S -0.02321 -0.00458 -0.02109 -0.02298 0.04036 225 2S 0.01079 0.00545 0.04117 -0.00059 -0.04605 226 2PX -0.02831 0.05461 0.14477 -0.13603 0.07054 227 2PY 0.10709 0.03232 0.05956 0.04689 -0.01148 228 2PZ -0.01125 -0.01347 -0.02461 -0.00217 0.03519 229 3S 0.56146 0.07620 0.18570 0.64269 -0.74510 230 3PX -0.05631 0.15207 0.43799 -0.43066 0.28325 231 3PY 0.24379 0.06141 0.18627 -0.03251 0.09616 232 3PZ 0.03972 -0.04050 -0.02484 0.05052 0.14030 233 4XX 0.00097 -0.00090 -0.00456 -0.00018 0.00455 234 4YY -0.00098 -0.00002 -0.00227 0.00649 -0.00419 235 4ZZ -0.00503 0.00049 0.00356 -0.01150 0.00636 236 4XY -0.00435 -0.00036 -0.00160 0.00542 -0.00492 237 4XZ 0.00302 -0.00001 0.00257 -0.00223 0.00497 238 4YZ -0.00110 0.00019 0.00304 -0.00650 0.00425 239 29 H 1S -0.02430 -0.00663 -0.03452 0.04362 -0.04635 240 2S -0.36830 -0.22703 -0.62403 0.24682 -0.06742 241 30 H 1S 0.00932 -0.00075 0.01781 -0.03537 0.05336 242 2S -0.14590 0.06488 0.25302 -0.54174 0.68754 243 31 H 1S -0.01444 0.00268 0.00361 -0.03986 0.01544 244 2S -0.34633 0.08964 0.16024 -0.56225 0.31036 245 32 H 1S 0.00645 -0.00532 -0.03667 0.05950 -0.01456 246 2S 0.17201 0.13654 -0.20062 1.18484 -0.63082 247 33 H 1S -0.00167 0.00913 0.03277 -0.01662 -0.00221 248 2S -0.33285 0.20192 0.52774 -0.20182 -0.44330 249 34 H 1S -0.00820 0.01180 0.02476 -0.01785 -0.01947 250 2S -0.34148 0.21966 0.47641 -0.21026 -0.51611 66 67 68 69 70 V V V V V Eigenvalues -- 0.16279 0.16310 0.16576 0.17010 0.17597 1 1 C 1S -0.02698 -0.06824 -0.03142 -0.00346 0.00189 2 2S 0.04714 0.07646 0.03693 0.00330 -0.00239 3 2PX 0.06293 -0.09633 -0.06324 0.03539 0.01381 4 2PY 0.01903 0.04075 0.03731 0.00140 -0.10076 5 2PZ -0.00165 -0.02289 -0.00710 0.04889 -0.29169 6 3S 0.28374 1.15661 0.51651 0.06819 -0.01408 7 3PX 0.23762 -0.20405 -0.15558 0.12149 0.03681 8 3PY 0.00562 0.25766 0.17341 0.01046 -0.32181 9 3PZ 0.00219 -0.08085 0.00383 0.08379 -0.97002 10 4XX -0.00174 -0.00617 -0.00267 0.00083 0.00270 11 4YY -0.00763 -0.00177 -0.00049 -0.00511 0.00368 12 4ZZ 0.00365 -0.00779 -0.00429 0.00414 -0.00509 13 4XY -0.00108 -0.00350 -0.00116 -0.00178 0.00256 14 4XZ 0.00178 0.00362 0.00358 -0.00558 0.00276 15 4YZ 0.00474 0.00029 0.00042 -0.00176 0.01404 16 2 C 1S 0.01338 0.00188 -0.00812 0.01783 0.01275 17 2S -0.02673 0.00422 0.01988 -0.03905 -0.02494 18 2PX 0.02457 0.02659 0.02634 -0.00634 0.01818 19 2PY 0.05507 0.10394 0.06250 -0.03888 0.01261 20 2PZ 0.00091 -0.01017 -0.00200 -0.04055 0.16743 21 3S -0.14572 -0.08013 0.08996 -0.20235 -0.16723 22 3PX -0.00460 0.07904 0.04604 0.11124 0.14102 23 3PY 0.07468 0.39020 0.18002 -0.10184 0.07866 24 3PZ -0.00634 -0.06372 -0.02948 -0.12167 0.58384 25 4XX -0.00985 0.00344 0.00178 -0.00173 -0.00140 26 4YY 0.00625 -0.00391 -0.00383 0.00588 0.00419 27 4ZZ 0.00346 0.00204 0.00207 -0.00354 -0.00150 28 4XY 0.01300 0.01040 0.00560 0.00017 -0.00094 29 4XZ -0.00223 -0.00293 -0.00284 0.00072 0.00038 30 4YZ -0.00260 -0.00372 -0.00393 0.00596 0.00187 31 3 C 1S 0.00862 0.00983 0.01222 0.00821 0.00741 32 2S -0.03287 -0.00442 -0.00945 -0.03402 -0.01734 33 2PX 0.03841 -0.00436 -0.01014 -0.02828 -0.02327 34 2PY 0.07335 0.05789 0.04606 -0.02987 -0.03043 35 2PZ -0.00664 0.00425 -0.00984 0.00406 -0.03393 36 3S 0.08412 -0.16953 -0.19815 -0.10196 -0.18110 37 3PX 0.11238 -0.07971 -0.01268 0.01248 -0.06257 38 3PY 0.21329 0.08060 0.13570 -0.14316 -0.17244 39 3PZ -0.11827 0.03592 0.03735 -0.03331 -0.25582 40 4XX -0.00293 -0.00253 0.00333 -0.00873 -0.00689 41 4YY 0.00758 0.00518 -0.00132 0.00768 0.00508 42 4ZZ 0.00011 0.00248 0.00266 -0.00267 -0.00053 43 4XY -0.00318 -0.01076 -0.00647 0.00532 0.00038 44 4XZ 0.00261 0.00175 0.00034 0.00480 -0.00774 45 4YZ 0.00060 -0.00473 -0.00481 0.00664 0.00571 46 4 C 1S 0.04049 -0.00999 -0.01975 0.02643 0.02104 47 2S -0.03136 0.00178 0.01966 -0.03070 -0.02355 48 2PX -0.08977 0.06438 0.07250 -0.10516 -0.07351 49 2PY 0.08776 0.00579 -0.03987 0.07907 0.02629 50 2PZ 0.06884 -0.07892 -0.09907 0.12512 0.05591 51 3S -0.71198 0.30037 0.37416 -0.51359 -0.39530 52 3PX -0.08974 0.09066 0.21465 -0.44123 -0.36703 53 3PY 0.35589 -0.05377 -0.16010 0.33006 0.03497 54 3PZ 0.02680 -0.30010 -0.35706 0.41624 0.24369 55 4XX 0.00286 0.00583 -0.00086 0.00065 0.00181 56 4YY -0.00091 -0.00691 -0.00213 -0.00209 0.00047 57 4ZZ 0.01120 -0.00069 -0.00154 0.00590 0.00119 58 4XY 0.00722 0.00019 0.00062 -0.00963 -0.00348 59 4XZ -0.00059 0.00282 0.00230 -0.00327 0.00602 60 4YZ 0.00040 -0.00247 -0.00258 -0.00124 0.00374 61 5 C 1S -0.05860 -0.03383 -0.00049 -0.00563 -0.01681 62 2S 0.08563 0.05301 -0.00690 -0.01149 0.01473 63 2PX -0.06731 0.01787 -0.03086 0.01860 0.00102 64 2PY 0.02321 -0.03348 -0.02124 -0.17231 -0.05408 65 2PZ 0.10819 0.01246 0.00207 0.03030 -0.04311 66 3S 0.85858 0.50237 0.10520 0.26434 0.28856 67 3PX -0.30582 -0.01440 -0.11968 0.14975 0.13031 68 3PY -0.13382 -0.14145 -0.00508 -0.48954 -0.11857 69 3PZ 0.38310 0.08354 0.04280 -0.03513 -0.22728 70 4XX 0.00018 -0.00787 -0.00825 0.01028 0.00280 71 4YY -0.00876 -0.00268 0.00583 -0.00191 -0.00046 72 4ZZ -0.00260 0.00435 0.00226 -0.00999 -0.00642 73 4XY -0.00066 0.00127 0.00454 0.00217 -0.00514 74 4XZ -0.00061 0.00097 0.00093 0.00186 0.00103 75 4YZ -0.00617 0.00143 -0.00119 -0.00164 0.00199 76 6 C 1S -0.02259 0.00098 -0.00409 -0.00016 0.01246 77 2S -0.00865 -0.01331 0.00023 -0.01371 -0.01187 78 2PX 0.00776 0.02108 -0.02493 -0.05225 0.01468 79 2PY 0.04532 0.03270 0.02365 -0.05084 -0.01297 80 2PZ -0.03361 0.00364 0.00399 0.05746 0.03137 81 3S 0.58415 0.16048 0.16496 0.01331 -0.29984 82 3PX -0.17445 0.05203 0.00257 -0.02412 0.07644 83 3PY 0.16749 0.11084 0.16261 0.07015 0.04946 84 3PZ -0.15780 0.00157 -0.00007 0.08655 0.08241 85 4XX -0.00616 0.00338 0.00678 -0.01139 -0.00300 86 4YY -0.00619 -0.00126 -0.00230 0.00770 0.00473 87 4ZZ 0.00162 -0.00064 -0.00212 0.00092 -0.00075 88 4XY 0.01554 0.00542 -0.01018 -0.00922 -0.00081 89 4XZ 0.00262 -0.00298 -0.00111 0.00220 0.00025 90 4YZ -0.00140 -0.00164 0.00164 -0.00304 -0.00091 91 7 C 1S 0.00405 -0.01045 -0.02881 -0.02609 -0.00120 92 2S -0.04443 0.02974 0.07495 0.04465 0.00119 93 2PX 0.05529 0.02842 -0.00245 0.04517 -0.00025 94 2PY -0.03857 -0.00420 -0.04203 -0.08690 -0.00473 95 2PZ 0.04439 -0.02395 -0.02475 0.03869 0.01208 96 3S 0.20521 0.02652 0.23829 0.23946 -0.00694 97 3PX 0.15761 0.11547 -0.01950 -0.10939 -0.11585 98 3PY -0.07526 -0.06657 -0.19494 -0.35004 -0.04613 99 3PZ 0.05944 -0.02875 0.01680 0.03651 -0.01527 100 4XX -0.00285 -0.00646 -0.00599 -0.00093 0.00085 101 4YY 0.00137 0.00630 -0.00023 -0.00935 -0.00115 102 4ZZ -0.00269 0.00027 0.00249 0.00107 -0.00033 103 4XY -0.01010 -0.00527 -0.00010 0.00478 0.00199 104 4XZ 0.00232 0.00168 0.00111 -0.00039 -0.00078 105 4YZ 0.00040 0.00022 0.00042 0.00256 0.00152 106 8 C 1S 0.00208 0.02739 -0.00488 0.00114 -0.00055 107 2S -0.00773 -0.05814 0.00746 -0.01549 -0.00314 108 2PX 0.03798 -0.00788 0.07584 0.00191 -0.00419 109 2PY 0.01493 0.02566 -0.00873 -0.01357 -0.01242 110 2PZ -0.03235 0.00913 -0.00168 0.00225 0.00350 111 3S -0.06764 -0.41083 0.28568 0.19563 0.08254 112 3PX 0.10566 -0.12117 0.08511 -0.12314 -0.05369 113 3PY 0.14686 -0.02308 -0.09590 -0.22656 -0.08882 114 3PZ -0.08258 0.03845 0.01400 0.06046 0.03401 115 4XX -0.00659 0.00581 0.00963 0.00613 0.00145 116 4YY 0.00429 0.00007 -0.00936 -0.00636 -0.00162 117 4ZZ 0.00079 -0.00117 -0.00101 0.00056 -0.00007 118 4XY 0.00188 0.00060 0.00652 0.00583 -0.00062 119 4XZ -0.00138 -0.00037 -0.00158 -0.00351 -0.00063 120 4YZ -0.00329 0.00045 0.00173 -0.00120 0.00011 121 9 C 1S 0.01986 -0.02735 -0.01500 -0.03654 -0.00721 122 2S -0.03758 0.04211 0.02546 0.05821 0.01311 123 2PX -0.02921 0.03976 0.06841 0.12736 0.01593 124 2PY -0.02237 0.02406 0.11736 0.10398 0.01458 125 2PZ 0.01077 -0.01254 -0.03141 -0.03743 -0.00212 126 3S -0.20637 0.31979 0.30944 0.49016 0.09216 127 3PX -0.12396 -0.01529 0.46331 0.46733 0.08744 128 3PY -0.16046 0.32370 0.13157 0.40838 0.06020 129 3PZ 0.06298 -0.05224 -0.10998 -0.14656 -0.02649 130 4XX 0.00368 -0.01188 0.00584 -0.00272 0.00031 131 4YY 0.00354 -0.00046 -0.00256 -0.00621 -0.00183 132 4ZZ -0.00169 0.00221 -0.00280 0.00007 0.00003 133 4XY -0.00299 0.00840 -0.01561 -0.00330 -0.00023 134 4XZ 0.00079 0.00083 -0.00014 0.00151 0.00019 135 4YZ -0.00186 -0.00043 0.00356 0.00178 0.00067 136 10 C 1S 0.00197 -0.01719 0.00798 -0.00486 0.00254 137 2S 0.01073 -0.00963 -0.00570 -0.02193 -0.00730 138 2PX -0.01502 0.01610 0.05392 0.06674 0.00884 139 2PY 0.03372 -0.04819 0.02767 -0.02876 -0.00821 140 2PZ -0.00080 0.00373 -0.01533 -0.00660 -0.00142 141 3S -0.13443 0.46821 -0.14121 0.23954 -0.01039 142 3PX -0.01992 -0.02072 0.06617 0.05327 -0.00263 143 3PY -0.02844 0.09366 -0.05798 0.09661 0.00617 144 3PZ 0.02625 -0.01844 -0.01335 -0.02267 -0.00452 145 4XX 0.00304 -0.01133 0.00617 -0.00629 -0.00006 146 4YY -0.00011 0.00049 -0.00064 -0.00038 0.00024 147 4ZZ -0.00098 0.00272 -0.00258 0.00031 -0.00027 148 4XY 0.00474 -0.01723 0.02821 0.00580 0.00148 149 4XZ -0.00263 0.00623 -0.00591 0.00037 -0.00023 150 4YZ 0.00036 0.00307 -0.00641 -0.00095 -0.00053 151 11 C 1S -0.00902 0.00140 0.05401 0.04085 0.00546 152 2S 0.00704 0.00363 -0.07254 -0.05071 -0.00717 153 2PX 0.01077 -0.00729 -0.01729 -0.03229 -0.00708 154 2PY 0.07181 -0.21904 0.24116 -0.04929 0.00596 155 2PZ -0.04027 0.04646 -0.01874 0.01013 0.00380 156 3S 0.15506 -0.02140 -0.85929 -0.64358 -0.08540 157 3PX 0.02031 -0.04113 0.00812 -0.07177 -0.01946 158 3PY 0.29167 -0.83012 0.76614 -0.29091 0.00535 159 3PZ -0.13778 0.17211 -0.06971 0.04815 0.01459 160 4XX -0.00263 0.00665 -0.00037 0.00602 0.00039 161 4YY 0.00552 -0.01723 0.01550 -0.00418 0.00016 162 4ZZ -0.00476 0.00984 -0.00386 0.00603 0.00055 163 4XY -0.00160 0.00523 -0.00905 -0.00257 -0.00030 164 4XZ 0.00022 -0.00025 0.00040 0.00048 0.00012 165 4YZ -0.00056 0.00345 -0.00230 0.00240 -0.00000 166 12 H 1S 0.03082 -0.09219 0.08600 -0.02240 0.00100 167 2S 0.33518 -1.10159 1.41254 -0.06492 0.04954 168 13 H 1S -0.02192 0.04283 -0.01863 0.02218 0.00257 169 2S -0.33965 0.53328 -0.02918 0.43192 0.05544 170 14 H 1S -0.01190 0.03842 -0.02380 0.02296 0.00149 171 2S -0.14773 0.44882 -0.13018 0.45106 0.03115 172 15 O 1S -0.00120 0.01063 -0.01700 -0.01123 -0.00227 173 2S -0.00404 -0.02183 0.04208 0.03133 0.00706 174 2PX 0.02691 -0.04406 0.00454 -0.05921 -0.00630 175 2PY -0.00989 -0.04486 0.09867 0.05253 0.01354 176 2PZ -0.00557 0.01536 -0.01466 0.00438 0.00122 177 3S 0.02340 -0.11552 0.12160 0.06825 0.01336 178 3PX 0.02378 -0.07160 0.01308 -0.04975 -0.00157 179 3PY -0.00249 -0.05750 0.10828 0.06631 0.01435 180 3PZ -0.00868 0.02352 -0.01573 -0.00147 -0.00058 181 4XX -0.00380 0.00480 -0.00586 -0.00124 0.00035 182 4YY -0.00095 -0.00145 -0.00012 -0.00010 0.00018 183 4ZZ -0.00344 0.00370 -0.00255 0.00151 0.00033 184 4XY -0.00221 0.00088 -0.00240 0.00183 0.00036 185 4XZ -0.00036 -0.00004 0.00143 0.00051 0.00016 186 4YZ 0.00031 0.00064 -0.00010 -0.00010 -0.00019 187 16 H 1S 0.00692 -0.00469 -0.06071 -0.04472 -0.00617 188 2S 0.31259 -0.34097 -0.77959 -1.00404 -0.16261 189 17 H 1S 0.00799 0.00851 -0.01729 -0.00068 -0.00179 190 2S -0.06351 0.15782 -0.04631 0.11441 0.05422 191 18 H 1S 0.01828 0.01998 -0.00350 -0.04642 -0.01087 192 2S -0.08315 -0.06349 -0.34750 -0.56468 -0.04680 193 19 C 1S 0.05698 0.01144 0.02981 0.00535 -0.00619 194 2S -0.06485 -0.00931 -0.02601 0.01456 0.01156 195 2PX 0.17115 -0.00344 -0.08161 -0.06622 -0.01794 196 2PY 0.02124 -0.00675 -0.05570 -0.11558 -0.04690 197 2PZ 0.06464 -0.03093 0.00715 -0.06961 -0.04892 198 3S -1.01728 -0.22920 -0.58827 -0.30547 0.04740 199 3PX 0.68651 0.04657 -0.29911 -0.22508 -0.08469 200 3PY 0.24309 0.05713 -0.06001 -0.24736 -0.14246 201 3PZ 0.11573 -0.10685 0.01845 -0.23793 -0.14892 202 4XX -0.00422 -0.00040 0.00247 0.00029 0.00202 203 4YY 0.00380 -0.00114 0.00402 -0.00352 -0.00419 204 4ZZ 0.01000 0.00330 -0.00033 0.00465 0.00115 205 4XY -0.00994 -0.00553 0.00668 0.00487 -0.00006 206 4XZ 0.00594 0.00047 -0.00135 -0.00314 -0.00126 207 4YZ 0.00778 0.00064 -0.00230 -0.00200 -0.00206 208 20 H 1S -0.07397 -0.02242 0.03927 0.02784 0.00639 209 2S -0.46314 -0.05019 0.64174 0.46785 0.10025 210 21 H 1S 0.05008 0.01149 -0.01042 -0.01810 -0.00274 211 2S 1.02713 0.01572 -0.02404 -0.29527 -0.20808 212 22 H 1S 0.04801 0.01848 -0.01278 0.01288 0.00428 213 2S 0.52669 0.21241 0.04677 0.34036 0.16059 214 23 H 1S -0.03961 -0.00030 -0.00814 -0.02431 0.00250 215 2S -0.89858 -0.15357 -0.08542 0.19064 0.17459 216 24 H 1S -0.01006 -0.01806 0.01118 -0.01592 -0.00060 217 2S -0.39529 -0.37966 0.01254 -0.67602 -0.22151 218 25 H 1S 0.01771 -0.01742 -0.02614 0.05306 0.00781 219 2S 0.68286 -0.45422 -0.68895 1.01713 0.54684 220 26 H 1S -0.03568 -0.00934 -0.00133 0.00331 0.00542 221 2S -0.15683 -0.12335 -0.01846 -0.10729 0.05801 222 27 H 1S 0.03169 0.05321 0.02209 0.00863 0.00231 223 2S 0.31751 0.31934 0.28260 -0.04940 -0.01753 224 28 C 1S -0.00552 0.06326 0.03402 -0.02348 -0.02427 225 2S 0.01239 -0.07274 -0.03858 0.02091 0.02345 226 2PX 0.12546 0.08706 0.04537 0.01649 -0.03931 227 2PY 0.08370 -0.00727 0.00794 0.03781 -0.07994 228 2PZ -0.02908 -0.07392 -0.06743 0.15154 -0.25703 229 3S 0.09162 -1.05417 -0.54129 0.39519 0.41156 230 3PX 0.38218 0.21639 0.09645 0.11651 -0.06278 231 3PY 0.23926 0.09016 0.08017 0.06119 -0.30796 232 3PZ -0.12995 -0.30296 -0.26010 0.54191 -0.79097 233 4XX 0.00220 0.00524 0.00210 0.00063 0.00057 234 4YY -0.00490 0.00319 0.00309 -0.00458 -0.01285 235 4ZZ 0.00480 0.00673 0.00361 -0.00273 0.00552 236 4XY -0.00828 -0.00607 -0.00489 0.00243 0.00043 237 4XZ 0.00219 -0.00136 -0.00196 0.00478 0.00294 238 4YZ 0.00320 0.00022 -0.00050 0.00472 -0.01254 239 29 H 1S -0.05464 -0.02863 -0.01714 -0.01181 -0.00540 240 2S -0.69401 0.00483 -0.04085 -0.17949 -0.09902 241 30 H 1S 0.01966 0.00768 -0.00579 0.03670 0.00502 242 2S 0.22212 0.32034 0.05465 0.50411 -0.99507 243 31 H 1S 0.02821 0.04183 0.02825 -0.02582 0.00026 244 2S 0.27395 0.85716 0.53722 -0.66328 0.70251 245 32 H 1S -0.02484 0.02666 0.01685 -0.01800 -0.01820 246 2S -0.27592 0.02007 0.10799 -0.15049 -0.17433 247 33 H 1S 0.01313 -0.03337 -0.02573 0.02909 0.02706 248 2S 0.01476 -0.61664 -0.38498 -0.01315 1.14857 249 34 H 1S 0.01925 -0.01576 -0.00045 -0.00910 -0.00610 250 2S 0.07630 -0.67327 -0.31186 0.17330 -0.90302 71 72 73 74 75 V V V V V Eigenvalues -- 0.17936 0.18623 0.19229 0.20384 0.21638 1 1 C 1S -0.00349 -0.00436 0.00146 0.01270 0.04527 2 2S -0.01681 0.00563 0.00579 -0.01469 -0.03062 3 2PX -0.07451 0.08130 0.02778 -0.07668 -0.07980 4 2PY -0.04733 0.02727 -0.00702 0.14298 0.00977 5 2PZ 0.02234 0.26427 -0.04243 0.03599 0.02720 6 3S 0.25788 0.08524 -0.09308 -0.27101 -0.95489 7 3PX -0.23369 0.26824 0.07990 -0.27619 -0.45880 8 3PY -0.01272 0.12475 -0.07667 0.44201 -0.33748 9 3PZ 0.02070 0.91720 -0.12449 0.10388 0.15985 10 4XX -0.00155 0.00493 -0.00069 -0.00298 -0.00494 11 4YY 0.00611 -0.00582 -0.00131 0.00990 0.01574 12 4ZZ -0.00705 0.00110 0.00275 -0.00493 -0.00392 13 4XY -0.00020 0.00501 -0.00015 -0.00441 0.01148 14 4XZ -0.00220 0.01554 -0.00159 0.00407 0.00211 15 4YZ -0.00528 0.00086 0.00184 -0.00493 -0.00268 16 2 C 1S -0.00533 0.01177 -0.00346 0.02397 -0.07591 17 2S 0.01695 -0.02075 0.00246 -0.05176 0.07931 18 2PX -0.03180 0.02651 0.01243 -0.09505 -0.12451 19 2PY -0.02187 -0.03266 0.01380 0.00630 0.04179 20 2PZ 0.00859 0.00009 -0.00087 -0.00461 0.04743 21 3S 0.09836 -0.18300 0.07148 -0.34766 1.62529 22 3PX -0.02100 0.14869 0.00804 -0.29308 -0.58062 23 3PY 0.11510 -0.13278 -0.03383 0.11749 0.05054 24 3PZ -0.05642 -0.04030 0.02103 0.00666 0.19203 25 4XX 0.01041 -0.00468 -0.00306 0.00809 0.00072 26 4YY -0.00159 -0.00735 0.00163 -0.00831 -0.01010 27 4ZZ -0.00275 0.01203 -0.00097 0.00225 -0.00045 28 4XY -0.01136 -0.00350 0.00428 -0.00103 -0.00292 29 4XZ 0.00461 -0.00391 -0.00125 0.00013 -0.00558 30 4YZ 0.00246 -0.02293 0.00277 -0.00264 0.00098 31 3 C 1S -0.01242 0.02133 0.00421 -0.07570 -0.03143 32 2S 0.04336 -0.04524 -0.01580 0.10349 0.02593 33 2PX -0.03459 -0.03640 0.01489 0.08796 0.08322 34 2PY -0.09268 0.00097 0.04100 -0.08424 -0.05731 35 2PZ 0.06964 -0.00425 -0.02522 0.02129 -0.08047 36 3S 0.03147 -0.38810 0.00209 1.33307 0.81630 37 3PX -0.10379 -0.03305 0.09622 0.00071 0.49642 38 3PY -0.45228 0.04962 0.19700 -0.39173 -0.04517 39 3PZ 0.10097 0.04905 -0.05708 0.05546 -0.23441 40 4XX -0.00361 -0.00243 0.00269 -0.01632 0.00356 41 4YY 0.00231 -0.00391 -0.00210 0.00565 -0.00848 42 4ZZ -0.00110 0.00577 0.00010 -0.00167 -0.00241 43 4XY 0.00283 0.00009 -0.00184 0.00304 -0.00188 44 4XZ -0.00034 0.00008 0.00084 -0.00086 0.00238 45 4YZ 0.00221 -0.00759 0.00099 -0.00024 0.00961 46 4 C 1S -0.00979 0.02533 0.01096 0.01383 0.00038 47 2S 0.00677 -0.01251 -0.01507 -0.03206 0.00895 48 2PX -0.01449 -0.06109 0.01336 -0.02637 0.05041 49 2PY 0.03888 -0.01058 -0.02847 0.14507 0.12007 50 2PZ 0.08182 0.04309 -0.02676 0.03548 0.11399 51 3S 0.24036 -0.56297 -0.19419 -0.04504 -0.12090 52 3PX -0.31987 -0.35403 0.19262 -0.11085 0.46421 53 3PY 0.00063 -0.18569 -0.01705 0.63351 0.56468 54 3PZ 0.28123 -0.09186 -0.10276 0.16111 0.28275 55 4XX -0.00572 0.00158 0.00084 0.00719 -0.01120 56 4YY -0.00149 -0.00015 0.00121 -0.00243 0.01466 57 4ZZ 0.00542 0.00479 -0.00004 -0.00328 -0.00091 58 4XY -0.00284 -0.00718 0.00243 0.01404 0.01042 59 4XZ -0.00232 0.00623 0.00052 -0.00514 -0.00486 60 4YZ 0.00562 0.00001 -0.00146 0.00052 0.00036 61 5 C 1S -0.03622 -0.00855 0.01111 -0.01476 0.06789 62 2S 0.03968 -0.01009 -0.00581 0.01098 -0.08124 63 2PX -0.03944 -0.03301 -0.01934 0.10329 -0.07523 64 2PY 0.09184 -0.03381 -0.00771 -0.04861 0.04791 65 2PZ 0.10815 -0.07446 -0.01758 -0.01942 0.06459 66 3S 0.67740 0.26694 -0.25029 0.30397 -1.22387 67 3PX 0.07951 -0.10827 -0.17902 0.45528 -0.21654 68 3PY 0.37378 -0.07675 -0.05991 -0.15761 0.09245 69 3PZ 0.26341 -0.37652 0.04312 -0.03689 0.42484 70 4XX 0.00010 0.00592 -0.00139 0.00395 0.00461 71 4YY -0.00071 -0.00030 0.00162 -0.00882 0.00356 72 4ZZ -0.00743 -0.00724 0.00260 0.00326 0.00423 73 4XY 0.00146 0.00268 0.00127 -0.01723 0.00136 74 4XZ 0.01383 0.00134 -0.00565 -0.00266 0.00920 75 4YZ -0.00047 0.00500 -0.00287 -0.00466 -0.01164 76 6 C 1S -0.00426 0.00006 -0.00614 0.04322 -0.00527 77 2S 0.01989 0.01285 0.00042 -0.07776 -0.03410 78 2PX 0.03254 -0.00962 -0.02939 0.08330 -0.06561 79 2PY 0.08311 -0.02365 -0.02631 -0.02504 -0.05761 80 2PZ 0.03020 0.04867 -0.03216 -0.01804 0.04570 81 3S -0.07787 -0.08791 0.21206 -0.84264 0.20734 82 3PX 0.17788 0.01944 -0.12715 0.23996 -0.43450 83 3PY 0.32281 -0.00205 -0.15059 -0.10226 -0.24566 84 3PZ 0.04701 0.16227 -0.07986 -0.13265 0.08090 85 4XX 0.00367 -0.00370 0.00163 -0.00148 -0.01228 86 4YY -0.01101 0.00419 0.00018 0.00336 -0.00344 87 4ZZ 0.00617 -0.00099 -0.00189 -0.00218 0.00612 88 4XY 0.00081 -0.00278 -0.00159 0.01039 -0.01665 89 4XZ -0.01083 -0.00022 0.00772 0.00617 0.00652 90 4YZ -0.01566 -0.00135 0.00024 0.00475 0.00013 91 7 C 1S 0.01559 -0.00004 -0.01210 0.03587 -0.04551 92 2S -0.02838 0.00078 0.01929 -0.06792 0.04884 93 2PX -0.00336 -0.00787 0.01846 -0.02056 0.00301 94 2PY 0.07532 -0.01685 -0.03078 0.09517 -0.15551 95 2PZ -0.03090 0.01177 0.08910 0.03552 -0.00175 96 3S -0.23097 0.02288 0.20475 -0.71950 0.95761 97 3PX -0.07975 -0.05228 0.12486 -0.33069 0.02176 98 3PY 0.13803 -0.06028 -0.06076 0.21721 -0.27968 99 3PZ -0.06919 -0.04075 0.14964 0.08496 0.02014 100 4XX -0.00674 0.00345 -0.00008 -0.00433 0.00726 101 4YY 0.00638 -0.00198 -0.00542 0.00569 -0.01976 102 4ZZ 0.00191 0.00000 0.00343 -0.00107 0.00167 103 4XY -0.00674 0.00298 -0.00078 0.00124 0.00822 104 4XZ -0.00090 -0.00253 -0.00539 -0.00007 -0.00476 105 4YZ -0.00381 0.00120 -0.00563 -0.00028 0.00140 106 8 C 1S 0.00811 -0.00645 -0.00353 0.00425 -0.02306 107 2S -0.01999 0.01191 0.01129 -0.02783 0.05826 108 2PX 0.02143 -0.01228 -0.01789 -0.05091 0.02686 109 2PY 0.01023 -0.00005 -0.01239 -0.05330 0.00931 110 2PZ 0.03263 -0.00256 -0.12931 -0.03212 0.02371 111 3S -0.02763 0.10202 -0.02885 0.16855 0.15640 112 3PX 0.01175 -0.02224 0.01119 -0.31432 0.23409 113 3PY -0.02128 0.00721 0.03647 -0.29163 0.13623 114 3PZ 0.00008 0.00310 -0.24686 0.04578 -0.03994 115 4XX 0.00635 -0.00139 0.00025 0.00582 -0.00864 116 4YY -0.00124 0.00035 -0.00084 -0.00408 0.00184 117 4ZZ -0.00289 -0.00005 -0.00035 -0.00160 0.00287 118 4XY -0.00402 0.00010 0.00421 -0.01429 0.01558 119 4XZ 0.00483 0.00187 0.01084 0.00032 0.00103 120 4YZ 0.00009 -0.00056 -0.00918 0.00064 -0.00109 121 9 C 1S 0.00305 0.00119 0.00581 -0.03059 0.03271 122 2S 0.00030 -0.00266 -0.01167 0.05178 -0.04801 123 2PX -0.03926 0.01016 0.05156 -0.00204 0.02585 124 2PY -0.00659 -0.00237 0.03324 -0.00220 0.00179 125 2PZ 0.03908 0.02474 0.21604 0.04567 -0.02510 126 3S -0.04782 -0.01986 -0.08598 0.50546 -0.62512 127 3PX -0.04658 0.00815 0.02186 0.19003 -0.12235 128 3PY -0.06978 -0.01485 0.04890 0.00578 0.01081 129 3PZ 0.05619 0.02584 0.29675 0.02427 -0.00541 130 4XX -0.00176 0.00054 0.00117 0.00338 0.00099 131 4YY 0.00234 0.00006 0.00467 -0.00925 0.00694 132 4ZZ 0.00022 -0.00050 -0.00457 0.00080 -0.00119 133 4XY 0.00116 0.00048 0.00110 0.00686 -0.00933 134 4XZ -0.00336 -0.00018 0.00242 0.00095 -0.00082 135 4YZ 0.00460 0.00200 0.01164 0.00170 0.00014 136 10 C 1S 0.00392 0.00075 -0.00526 0.02977 -0.02814 137 2S 0.00086 -0.00047 0.00787 -0.04787 0.05085 138 2PX -0.02444 -0.00470 -0.03496 -0.02560 0.04244 139 2PY -0.00878 -0.00331 -0.01914 -0.07269 0.07776 140 2PZ -0.03934 -0.02429 -0.22818 -0.02529 -0.00202 141 3S -0.05623 -0.02920 0.05178 -0.38075 0.30602 142 3PX -0.09187 0.00000 -0.02905 -0.19581 0.33407 143 3PY -0.10919 0.00595 -0.00582 -0.20299 0.33237 144 3PZ -0.09079 -0.06031 -0.47949 -0.00492 -0.08468 145 4XX 0.00423 -0.00012 0.00077 0.00410 -0.00408 146 4YY 0.00121 -0.00065 -0.00266 0.00633 -0.00880 147 4ZZ -0.00081 0.00011 -0.00084 -0.00207 0.00169 148 4XY 0.00149 -0.00079 -0.00025 0.00122 -0.00067 149 4XZ 0.00197 0.00128 0.00733 -0.00093 0.00130 150 4YZ -0.00423 -0.00065 -0.00286 -0.00112 0.00141 151 11 C 1S -0.00577 -0.00147 0.00128 -0.00645 0.01036 152 2S 0.00584 0.00181 -0.00051 0.00266 -0.00430 153 2PX 0.03008 0.00598 0.06878 -0.02109 0.01578 154 2PY 0.07838 -0.00950 0.03213 0.05537 -0.07645 155 2PZ 0.10294 0.05174 0.37976 0.04791 -0.00933 156 3S 0.10720 0.02257 -0.03224 0.13872 -0.23896 157 3PX 0.08200 0.01671 0.22905 -0.14137 0.17662 158 3PY 0.29497 -0.02860 0.08236 0.23254 -0.32822 159 3PZ 0.32616 0.16533 1.19192 0.15093 -0.03536 160 4XX -0.00170 0.00015 0.00299 -0.00337 0.00430 161 4YY 0.00199 -0.00075 -0.00374 0.00118 -0.00007 162 4ZZ -0.00144 0.00041 0.00108 0.00058 -0.00107 163 4XY 0.00024 -0.00020 -0.00198 0.00458 -0.00714 164 4XZ 0.00038 0.00076 0.00731 0.00174 -0.00079 165 4YZ -0.00455 -0.00140 -0.01101 -0.00249 0.00164 166 12 H 1S 0.01617 -0.00265 -0.00404 0.00684 -0.00221 167 2S 0.25653 -0.07752 -0.10538 0.20322 -0.28512 168 13 H 1S 0.00883 0.00758 0.04753 0.01110 -0.01047 169 2S 0.23628 0.19575 1.35377 0.12382 0.05731 170 14 H 1S -0.02573 -0.00574 -0.04619 0.00080 -0.00758 171 2S -0.57633 -0.14803 -1.26305 -0.21418 0.17018 172 15 O 1S 0.00815 -0.00200 -0.00447 0.00751 -0.02236 173 2S -0.01507 0.00387 0.00593 -0.00333 0.03336 174 2PX 0.03896 -0.00446 0.00110 0.03434 -0.06352 175 2PY -0.00613 0.00326 0.01231 0.02642 0.00312 176 2PZ 0.01448 0.01343 0.09495 0.00535 0.00493 177 3S -0.09842 0.02531 0.06465 -0.13540 0.33605 178 3PX 0.01772 0.00448 0.02931 0.01433 0.01745 179 3PY -0.03159 0.01188 0.04231 -0.01373 0.09301 180 3PZ 0.04272 0.01825 0.16418 0.02594 -0.02681 181 4XX 0.00382 -0.00053 -0.00309 0.00884 -0.01266 182 4YY -0.00079 0.00006 -0.00160 0.00047 0.00091 183 4ZZ 0.00111 -0.00017 0.00038 0.00407 -0.00572 184 4XY -0.00321 0.00084 0.00046 -0.00339 0.00952 185 4XZ 0.00120 0.00038 0.00003 -0.00116 0.00041 186 4YZ -0.00074 -0.00116 -0.00669 0.00013 -0.00245 187 16 H 1S 0.00403 0.00297 -0.00073 0.00283 -0.00321 188 2S 0.15587 0.02065 0.03494 -0.27924 0.25141 189 17 H 1S -0.00554 -0.00022 0.00347 -0.00440 -0.00256 190 2S 0.02782 -0.04737 -0.05259 0.22238 -0.19976 191 18 H 1S 0.03658 -0.01171 -0.01698 0.02561 -0.09065 192 2S 0.39553 -0.08037 -0.23791 0.58071 -0.88550 193 19 C 1S 0.02066 -0.00463 -0.00309 -0.02103 -0.00192 194 2S -0.01919 0.01312 0.00119 0.00281 0.00557 195 2PX -0.04799 0.00195 0.03411 -0.04718 0.06976 196 2PY 0.00361 -0.03009 0.01527 -0.03899 -0.02354 197 2PZ -0.25058 -0.08516 0.07760 0.13934 -0.02376 198 3S -0.34769 0.04785 0.07288 0.39257 -0.02751 199 3PX -0.15187 -0.01508 0.09852 -0.07667 0.22464 200 3PY 0.10217 -0.08305 0.01509 -0.33263 -0.13209 201 3PZ -0.81380 -0.27406 0.18585 0.45569 -0.11108 202 4XX -0.00211 0.00083 -0.00139 0.00649 -0.00493 203 4YY 0.00635 -0.00137 0.00133 -0.01472 0.00108 204 4ZZ 0.00301 0.00149 -0.00155 -0.00016 0.00305 205 4XY -0.00764 0.00177 0.00415 -0.00649 0.01422 206 4XZ -0.01078 -0.00224 0.00088 0.00568 -0.00195 207 4YZ 0.00145 -0.00362 0.00340 0.00261 -0.00008 208 20 H 1S -0.02107 0.00699 0.00741 -0.01115 0.03497 209 2S -0.00896 -0.01725 -0.06686 0.18077 -0.08044 210 21 H 1S -0.06230 -0.00966 -0.00206 0.04681 -0.02618 211 2S -0.81468 -0.28775 0.22870 0.33157 0.06200 212 22 H 1S 0.06776 0.00551 -0.00429 -0.00767 0.00433 213 2S 0.96699 0.30043 -0.20290 -0.54772 0.25980 214 23 H 1S -0.07537 0.00480 0.01138 0.03161 -0.05100 215 2S -0.81807 0.18960 0.04139 0.30840 -0.16400 216 24 H 1S 0.02194 -0.01604 -0.00082 0.00364 0.05045 217 2S 0.07226 -0.02667 0.07696 -0.43595 0.61569 218 25 H 1S 0.05270 -0.00280 -0.01326 0.01228 -0.00232 219 2S 0.45371 0.28276 -0.15290 0.54836 0.32196 220 26 H 1S -0.00315 0.01423 0.00119 -0.05035 -0.00362 221 2S -0.16115 0.21616 0.14632 -0.55694 -0.23773 222 27 H 1S -0.00772 0.00367 -0.00280 -0.01345 -0.04585 223 2S -0.50167 0.20725 0.19566 -0.99055 -0.46965 224 28 C 1S 0.04527 -0.02700 -0.01003 0.01049 0.04234 225 2S -0.04744 0.02342 0.01039 -0.01037 -0.03069 226 2PX -0.02758 -0.05514 -0.00585 0.11830 0.00373 227 2PY -0.11686 -0.07424 0.04281 0.02363 0.06614 228 2PZ 0.06344 -0.20493 0.02274 -0.09334 -0.11962 229 3S -0.86248 0.49426 0.21223 -0.26042 -0.78931 230 3PX -0.18026 -0.09206 0.00510 0.32249 -0.06657 231 3PY -0.23671 -0.33212 0.10805 0.08219 0.55301 232 3PZ 0.14932 -0.70418 0.08057 -0.24991 -0.41286 233 4XX 0.00086 -0.00045 0.00053 -0.00510 -0.00976 234 4YY 0.00691 -0.00579 -0.00198 0.00740 0.01710 235 4ZZ 0.00065 -0.00128 -0.00024 0.00041 0.00149 236 4XY 0.00919 -0.00486 -0.00322 0.00824 -0.00506 237 4XZ -0.00154 -0.01573 0.00293 -0.00439 0.00235 238 4YZ -0.00228 0.00712 -0.00031 -0.00117 -0.00924 239 29 H 1S 0.05568 -0.00939 -0.01446 0.01139 -0.00026 240 2S 0.79323 -0.07132 -0.17196 -0.29066 -0.08141 241 30 H 1S -0.00674 -0.07988 0.01345 -0.02241 -0.02541 242 2S 0.28588 -1.07089 0.03953 0.05983 -0.13856 243 31 H 1S -0.01076 0.09075 -0.01018 0.00878 -0.01887 244 2S 0.12066 0.69403 -0.20801 0.53329 0.43453 245 32 H 1S 0.02902 -0.03107 -0.01060 0.06781 0.02497 246 2S 0.06056 -0.35471 -0.07552 0.84731 0.40437 247 33 H 1S -0.02141 -0.07110 0.01979 -0.04617 -0.04736 248 2S -0.25141 -0.89569 0.25138 -0.42563 -0.08309 249 34 H 1S -0.03325 0.10408 -0.00215 -0.01159 -0.01013 250 2S -0.26351 1.19417 -0.04813 0.03342 0.06466 76 77 78 79 80 V V V V V Eigenvalues -- 0.22369 0.23127 0.23640 0.24534 0.25485 1 1 C 1S -0.00127 0.00578 0.03331 0.03560 -0.02673 2 2S -0.00589 -0.00749 -0.02107 -0.00618 0.01465 3 2PX 0.00102 -0.09155 -0.00537 -0.09901 0.11515 4 2PY 0.02317 0.04571 -0.11693 0.00166 0.02459 5 2PZ -0.00034 -0.03286 0.03383 -0.00619 0.02021 6 3S 0.06307 -0.11702 -0.63915 -0.81275 0.58059 7 3PX 0.00021 -0.39722 -0.05730 -0.49872 0.65611 8 3PY 0.16479 0.19865 -0.83443 -0.49503 0.27759 9 3PZ -0.02862 -0.07840 0.23151 0.17348 -0.11849 10 4XX -0.00040 0.00604 -0.00538 0.00402 -0.00929 11 4YY 0.00281 0.00121 0.00772 -0.00012 -0.00106 12 4ZZ -0.00216 -0.00528 0.00288 0.00382 0.00393 13 4XY -0.00368 -0.00090 0.01792 0.01713 -0.00960 14 4XZ 0.00138 -0.00011 -0.00347 -0.00717 0.00578 15 4YZ -0.00119 -0.00063 -0.00294 -0.00319 0.00561 16 2 C 1S 0.02956 0.02028 -0.09593 -0.08543 0.01719 17 2S -0.05937 -0.04157 0.09081 0.09914 -0.00477 18 2PX -0.02623 -0.00352 -0.16706 -0.08932 0.06954 19 2PY -0.03002 -0.09689 0.08424 -0.01518 0.16731 20 2PZ 0.00442 0.04197 -0.00991 -0.00738 -0.03204 21 3S -0.46686 -0.32309 1.94482 1.69418 -0.38288 22 3PX 0.05957 0.10401 -0.76801 -0.50230 0.26056 23 3PY -0.02373 -0.40055 0.41302 -0.14980 0.72071 24 3PZ 0.01505 0.10789 -0.02571 -0.00696 -0.09296 25 4XX 0.00392 -0.00055 -0.00674 -0.01071 0.00324 26 4YY -0.00322 -0.00006 -0.00711 0.00021 -0.00049 27 4ZZ -0.00059 -0.00085 -0.00206 -0.00086 0.00157 28 4XY -0.00366 -0.00829 0.00122 0.00697 0.00854 29 4XZ -0.00057 -0.00210 -0.00156 0.00328 -0.00535 30 4YZ 0.00062 0.00191 0.00138 -0.00091 0.00055 31 3 C 1S -0.02735 -0.00144 0.01877 0.04209 -0.01496 32 2S 0.02264 -0.03945 -0.07061 -0.07546 0.05015 33 2PX 0.00182 -0.06414 0.04645 0.02751 0.04763 34 2PY -0.04777 -0.12670 0.02434 -0.01647 0.10065 35 2PZ -0.01051 -0.01153 -0.03748 0.07506 -0.07930 36 3S 0.43891 0.11307 0.09069 -0.55521 0.22562 37 3PX -0.01610 -0.00593 0.14945 0.10547 0.06532 38 3PY -0.20113 -0.24674 0.09245 0.04433 0.06089 39 3PZ 0.05654 0.12843 -0.04371 0.10619 -0.27844 40 4XX -0.01255 -0.00434 -0.00508 0.00909 0.00244 41 4YY 0.00060 -0.00927 -0.00180 -0.00695 0.01247 42 4ZZ 0.00239 0.00433 0.00244 0.00261 -0.00911 43 4XY 0.00313 0.01086 -0.00688 -0.00326 -0.01244 44 4XZ 0.00124 0.00160 0.00476 -0.00085 0.00465 45 4YZ -0.00024 -0.00010 0.00286 -0.00202 0.00727 46 4 C 1S 0.01391 0.01094 0.00788 0.02735 -0.02071 47 2S -0.02289 0.00394 0.00502 -0.00550 -0.00923 48 2PX -0.03350 -0.08126 -0.04952 -0.09495 0.17486 49 2PY 0.06937 -0.02356 0.11185 -0.10255 0.06678 50 2PZ -0.02397 -0.06441 -0.02797 -0.04902 0.14333 51 3S -0.13192 -0.30710 -0.20852 -0.78411 0.64691 52 3PX -0.27124 -0.45825 -0.16045 -0.38452 0.74883 53 3PY 0.29163 0.02015 0.36183 -0.43530 0.38219 54 3PZ -0.09162 -0.43505 -0.17575 -0.23404 0.72891 55 4XX 0.00867 -0.00964 0.00358 -0.01199 0.01038 56 4YY -0.00396 -0.00142 -0.00167 0.00790 0.00207 57 4ZZ -0.00011 0.01461 0.00203 0.00673 -0.01516 58 4XY 0.00259 -0.00586 -0.00306 -0.01101 0.00430 59 4XZ 0.00301 0.00637 0.00433 0.00735 -0.01113 60 4YZ -0.00116 -0.00449 -0.00625 -0.00885 -0.00719 61 5 C 1S 0.01131 0.02762 -0.00075 -0.05657 0.03012 62 2S 0.00506 -0.06241 0.01843 0.03578 -0.04696 63 2PX 0.03636 -0.17857 0.03244 0.00966 0.08337 64 2PY -0.05831 -0.12381 -0.09563 -0.07977 -0.14268 65 2PZ -0.12190 -0.09085 -0.06664 -0.00730 0.20860 66 3S -0.36198 -0.23899 -0.01642 1.20846 -0.41052 67 3PX 0.05750 -0.59495 -0.00742 -0.05020 0.75405 68 3PY -0.46082 -0.60097 -0.60292 -0.09578 -0.37433 69 3PZ -0.34883 -0.39145 -0.20497 -0.40961 0.89205 70 4XX -0.00454 0.00777 0.00417 0.00232 -0.00861 71 4YY 0.00374 0.00599 -0.00553 0.00402 -0.00727 72 4ZZ 0.00301 -0.01094 0.00463 -0.01682 0.01601 73 4XY 0.00215 0.01702 0.00666 0.00042 0.00102 74 4XZ -0.00190 -0.00531 -0.00519 -0.00499 0.00657 75 4YZ -0.00456 -0.00529 -0.00061 0.01067 -0.00265 76 6 C 1S -0.05270 -0.09062 -0.06135 0.04025 -0.02247 77 2S 0.06486 0.13497 0.07914 -0.00416 -0.01604 78 2PX -0.01080 -0.14393 -0.00024 0.00821 -0.00450 79 2PY 0.16270 0.07532 0.09138 -0.06993 0.10561 80 2PZ 0.00835 0.04691 0.00771 0.01472 -0.04024 81 3S 0.98431 1.62176 1.21153 -0.94451 0.50997 82 3PX -0.34200 -0.54633 -0.10437 0.20922 -0.08593 83 3PY 0.50757 0.60109 0.42572 -0.15887 0.62120 84 3PZ 0.07059 0.15186 0.02334 0.11432 -0.30554 85 4XX 0.00085 -0.00628 -0.00499 0.00933 -0.01242 86 4YY -0.00797 0.00358 -0.00104 0.00971 -0.00503 87 4ZZ -0.00175 -0.00492 -0.00113 -0.00437 0.00670 88 4XY 0.01243 -0.01458 0.01542 -0.00274 -0.01007 89 4XZ 0.00300 0.00573 0.00255 -0.00472 0.00198 90 4YZ 0.00686 0.00650 0.00354 -0.00274 -0.00447 91 7 C 1S -0.02044 0.02461 0.03084 0.02083 0.02116 92 2S 0.01342 -0.05122 -0.06790 -0.01309 -0.06210 93 2PX 0.16766 -0.05598 0.07834 -0.08462 -0.02484 94 2PY 0.09154 -0.06743 0.04744 0.08865 0.02004 95 2PZ -0.03779 0.01265 -0.00243 0.02601 0.01888 96 3S 0.65269 0.03098 -0.36129 -0.45471 -0.08552 97 3PX 0.38423 -0.16265 0.18648 -0.24238 -0.15230 98 3PY 0.40970 -0.29404 0.08851 0.19360 -0.14992 99 3PZ -0.17031 0.01926 -0.07598 -0.02359 0.12794 100 4XX -0.00223 0.00505 -0.00075 -0.00055 -0.00707 101 4YY 0.00045 -0.00106 0.00507 0.00970 0.00319 102 4ZZ -0.00128 0.00003 -0.00291 -0.00146 0.00095 103 4XY -0.01288 0.00415 -0.01454 0.01122 0.00093 104 4XZ 0.00179 -0.00230 0.00211 -0.00040 0.00155 105 4YZ 0.00576 0.00297 0.00451 -0.00218 -0.00482 106 8 C 1S 0.03687 -0.05797 0.02700 -0.02925 -0.04111 107 2S -0.02956 0.08542 -0.06856 0.06403 0.06834 108 2PX 0.08485 -0.03624 -0.02291 -0.01672 0.00425 109 2PY -0.02548 0.12888 -0.01479 0.03923 0.11943 110 2PZ -0.02462 -0.01946 -0.00814 -0.01619 -0.01352 111 3S -1.07854 1.24201 -0.16665 0.24084 0.81681 112 3PX 0.56580 0.01774 0.10420 -0.31337 -0.08578 113 3PY -0.12335 0.47993 -0.22793 0.28000 0.46548 114 3PZ -0.07352 -0.05577 0.02075 0.01874 -0.08676 115 4XX 0.00967 -0.01195 -0.00244 0.00633 0.00241 116 4YY -0.00574 0.00607 0.01019 -0.01465 -0.00568 117 4ZZ 0.00194 -0.00080 -0.00244 0.00159 0.00061 118 4XY 0.02374 -0.00743 -0.00527 -0.00840 -0.00678 119 4XZ -0.00603 0.00353 -0.00029 -0.00100 0.00062 120 4YZ -0.00291 0.00140 -0.00174 0.00361 0.00080 121 9 C 1S 0.05104 0.00721 -0.03677 0.02715 0.02211 122 2S -0.07264 -0.01943 0.04865 -0.04703 -0.03803 123 2PX -0.01241 0.00603 0.06036 -0.09299 -0.05333 124 2PY 0.13082 -0.08614 -0.02090 0.04052 -0.00765 125 2PZ -0.00854 0.01604 0.00153 0.01850 0.00667 126 3S -1.00199 -0.04104 0.54870 -0.19200 -0.20537 127 3PX -0.36617 0.17739 0.47994 -0.53177 -0.16706 128 3PY 0.58347 -0.63877 -0.03029 -0.04362 -0.36389 129 3PZ -0.02115 0.05891 -0.07811 0.10676 0.09691 130 4XX -0.01323 0.00512 0.00043 -0.00203 -0.00166 131 4YY 0.01789 -0.00201 -0.00966 0.00620 0.00539 132 4ZZ -0.00194 -0.00039 0.00144 -0.00144 -0.00062 133 4XY -0.01003 -0.00043 0.01232 -0.00748 -0.00610 134 4XZ 0.00503 -0.00033 -0.00054 0.00251 0.00040 135 4YZ -0.00149 0.00051 -0.00031 0.00004 -0.00016 136 10 C 1S -0.11274 0.04185 0.05012 -0.06021 -0.01617 137 2S 0.14155 -0.02944 -0.09362 0.10179 0.04833 138 2PX 0.15808 -0.09155 -0.07230 0.09585 0.00317 139 2PY 0.06746 0.00805 -0.06500 -0.00715 0.01479 140 2PZ -0.04255 0.01599 0.01786 -0.01982 -0.00501 141 3S 2.15409 -1.06329 -0.70175 1.00674 0.05630 142 3PX 0.56735 -0.29029 -0.58345 0.51829 0.10184 143 3PY 0.25315 -0.19115 -0.25582 -0.14966 -0.18822 144 3PZ -0.14555 0.08127 0.13711 -0.07524 0.00833 145 4XX -0.00740 0.00072 0.00294 -0.00249 -0.00159 146 4YY -0.00984 0.00308 0.01142 -0.00754 -0.00345 147 4ZZ 0.00257 0.00151 -0.00310 0.00451 0.00394 148 4XY 0.00299 0.00039 0.00269 -0.00161 0.00054 149 4XZ 0.00161 -0.00001 -0.00189 0.00173 0.00123 150 4YZ 0.00199 -0.00029 -0.00281 0.00279 0.00125 151 11 C 1S 0.05453 -0.03254 -0.01905 0.02447 -0.00128 152 2S -0.03955 0.02105 0.00245 -0.00865 0.00178 153 2PX 0.16398 -0.04675 -0.05764 0.10367 0.03904 154 2PY 0.03684 -0.06713 0.04801 -0.00663 -0.03701 155 2PZ -0.03111 0.01757 0.00710 -0.01483 0.00017 156 3S -0.99165 0.64593 0.47217 -0.52599 0.03238 157 3PX 0.99283 -0.42412 -0.50071 0.72210 0.17888 158 3PY -0.16488 0.01856 0.23279 -0.02452 0.00972 159 3PZ -0.14106 0.07137 0.06612 -0.11719 -0.03050 160 4XX 0.02464 -0.01187 -0.01026 0.01611 0.00285 161 4YY -0.01005 0.00675 0.00109 -0.00486 0.00133 162 4ZZ -0.00456 -0.00028 0.00410 -0.00597 -0.00359 163 4XY -0.01205 0.00281 0.00849 -0.00587 -0.00273 164 4XZ -0.00399 0.00204 0.00200 -0.00351 -0.00095 165 4YZ 0.00294 -0.00172 -0.00110 0.00069 -0.00039 166 12 H 1S -0.03199 0.02102 0.00208 -0.01492 0.00511 167 2S 0.18025 -0.27760 0.13858 0.04719 -0.09570 168 13 H 1S -0.03007 0.00392 0.02631 -0.03409 -0.01780 169 2S -0.10513 0.00429 0.03005 -0.16472 -0.08696 170 14 H 1S -0.03055 0.00414 0.02583 -0.03429 -0.01789 171 2S -0.12862 0.00916 0.00535 -0.18120 -0.09480 172 15 O 1S 0.01931 -0.00457 0.01287 0.01624 0.00803 173 2S -0.05434 0.01401 -0.00823 -0.04387 -0.02032 174 2PX -0.03216 0.03155 0.05656 -0.01918 0.00695 175 2PY -0.06626 0.00370 0.01171 -0.03663 -0.02620 176 2PZ 0.01867 -0.00444 -0.00904 0.01163 0.00093 177 3S -0.15554 0.02317 -0.28207 -0.12516 -0.08629 178 3PX -0.12063 0.04787 0.00941 -0.10652 -0.04288 179 3PY -0.09782 0.01817 -0.07590 -0.03535 -0.02255 180 3PZ 0.03844 -0.01163 0.01197 0.02603 0.01204 181 4XX -0.00296 0.00023 0.01114 -0.00045 -0.00100 182 4YY -0.00636 0.00308 0.00069 -0.00324 -0.00014 183 4ZZ 0.00396 -0.00173 0.00471 0.00248 0.00057 184 4XY -0.00144 -0.00010 -0.01034 0.00144 -0.00052 185 4XZ 0.00178 -0.00019 0.00025 0.00041 0.00005 186 4YZ 0.00194 -0.00097 0.00238 0.00055 0.00038 187 16 H 1S -0.01974 0.02471 -0.00798 0.02716 0.02305 188 2S 0.19161 0.34369 -0.59596 0.63785 0.52496 189 17 H 1S -0.01782 -0.00415 0.05481 -0.07566 -0.04637 190 2S 0.45947 -1.03919 0.42669 -0.60217 -0.97610 191 18 H 1S 0.00716 0.01812 0.03946 0.04546 0.03999 192 2S 0.28039 -0.12569 0.36205 0.53490 0.13553 193 19 C 1S 0.02966 0.06811 0.01546 -0.00319 0.03152 194 2S -0.01636 -0.03838 0.00530 -0.01191 -0.00943 195 2PX -0.02396 -0.06518 -0.04558 -0.06371 -0.16535 196 2PY 0.12882 0.01353 0.12420 -0.12488 -0.02205 197 2PZ 0.00211 -0.01431 -0.00026 -0.01888 0.04360 198 3S -0.53944 -1.47855 -0.36000 0.09577 -0.87356 199 3PX -0.08537 -0.25746 -0.03553 -0.30064 -0.68536 200 3PY 0.79327 0.70652 0.73383 -0.57750 0.32342 201 3PZ -0.01484 -0.10746 -0.03901 -0.03271 0.08628 202 4XX -0.00574 -0.00797 -0.00814 0.01115 -0.00177 203 4YY 0.01760 0.02680 0.01187 -0.00965 0.01439 204 4ZZ -0.00343 -0.00326 0.00048 -0.00343 -0.00684 205 4XY -0.01028 0.00880 -0.01706 0.00807 0.00464 206 4XZ 0.00576 0.00261 0.00641 -0.00494 -0.00531 207 4YZ -0.00803 -0.01194 -0.00390 -0.00030 0.00261 208 20 H 1S -0.02471 0.02452 -0.06873 0.05989 0.04983 209 2S -0.18522 0.61340 -0.29785 0.65445 0.99399 210 21 H 1S 0.00165 -0.02652 0.01425 -0.00848 -0.06790 211 2S 0.01728 0.07488 -0.03187 -0.22473 -0.27931 212 22 H 1S -0.04454 -0.05949 -0.01552 0.00264 -0.02400 213 2S -0.21063 0.13058 -0.20251 0.11868 -0.29397 214 23 H 1S 0.01001 -0.01800 0.02755 0.02127 -0.00080 215 2S 0.65864 0.32937 0.50302 -0.06362 0.01102 216 24 H 1S 0.01952 0.00848 -0.03957 -0.04203 -0.03868 217 2S -0.07558 0.00827 -0.45825 -0.57776 -0.82575 218 25 H 1S -0.00408 -0.00612 -0.02163 -0.02123 0.00233 219 2S 0.23902 -0.00900 0.17054 0.02283 0.11657 220 26 H 1S -0.01765 0.00569 0.01386 0.07108 0.01742 221 2S -0.34723 -0.14768 -0.42919 0.60368 0.03065 222 27 H 1S -0.01793 -0.05141 0.03808 0.01768 0.04318 223 2S -0.40827 -0.43521 0.28029 0.22843 0.17854 224 28 C 1S -0.00914 -0.01977 0.05356 0.01226 0.01102 225 2S 0.00409 0.00988 -0.03269 -0.00720 -0.00192 226 2PX 0.01116 0.09533 -0.14397 0.01728 -0.07011 227 2PY -0.03446 -0.00992 0.06168 0.15816 0.00257 228 2PZ -0.01108 0.00940 -0.01830 0.01872 -0.05640 229 3S 0.12257 0.40917 -1.13185 -0.15285 -0.27847 230 3PX 0.06218 0.42198 -0.50533 0.21602 -0.46118 231 3PY -0.22031 -0.24692 0.81750 0.81775 0.11656 232 3PZ 0.02907 0.06463 -0.20230 -0.12850 -0.11605 233 4XX -0.00064 -0.00260 -0.00718 -0.00736 0.00693 234 4YY -0.00198 -0.00607 0.01943 0.00606 0.00179 235 4ZZ -0.00057 0.00407 -0.00312 0.00193 -0.00455 236 4XY 0.00810 0.00833 -0.01418 -0.01814 -0.00590 237 4XZ -0.00186 -0.00081 0.00464 0.00399 0.00216 238 4YZ -0.00010 0.00044 -0.00641 0.00255 -0.00392 239 29 H 1S 0.01790 -0.00144 -0.01918 -0.07969 0.00471 240 2S 0.10213 -0.29816 0.32786 -0.80521 0.27696 241 30 H 1S -0.00101 0.02040 -0.02821 0.00614 -0.01299 242 2S -0.02467 0.22375 -0.14457 0.21964 -0.34680 243 31 H 1S -0.00456 0.00755 -0.03341 0.01698 -0.02017 244 2S 0.04837 0.14422 -0.09074 -0.03931 -0.07598 245 32 H 1S 0.02122 0.02170 -0.04450 -0.04135 0.01242 246 2S 0.15452 0.47549 -0.50274 0.14284 -0.24631 247 33 H 1S -0.01033 -0.01607 -0.00803 0.00285 0.01713 248 2S -0.05100 -0.17358 0.20675 -0.02224 0.15837 249 34 H 1S -0.00448 -0.01494 -0.00304 -0.01414 0.03040 250 2S -0.00809 -0.31843 0.21755 -0.08659 0.29041 81 82 83 84 85 V V V V V Eigenvalues -- 0.25664 0.26678 0.28148 0.31252 0.34197 1 1 C 1S -0.01879 0.00013 0.01465 0.00093 -0.02453 2 2S -0.00154 -0.02491 -0.01346 -0.00324 -0.08311 3 2PX 0.13691 -0.06190 -0.06214 0.00631 -0.05705 4 2PY -0.03541 -0.14920 -0.06170 0.03972 0.06092 5 2PZ -0.03874 0.05769 0.04575 -0.00900 0.00156 6 3S 0.49920 0.18549 -0.24352 0.07226 1.37801 7 3PX 0.76788 -0.12597 -0.34732 0.09431 1.03782 8 3PY 0.09903 -0.42845 -0.35631 0.11447 0.88155 9 3PZ -0.10324 0.13752 0.17237 -0.01483 -0.32575 10 4XX -0.01600 0.00967 0.00851 -0.00138 -0.00134 11 4YY 0.00627 -0.00460 -0.00321 -0.00167 -0.01638 12 4ZZ 0.00468 -0.00714 -0.00265 0.00356 0.00518 13 4XY -0.01127 0.00770 0.01033 -0.00033 -0.01461 14 4XZ 0.00351 -0.00279 -0.00641 -0.00189 0.00358 15 4YZ -0.00240 -0.00066 -0.00401 -0.00146 0.00816 16 2 C 1S 0.03006 -0.00347 -0.01802 -0.00994 -0.01540 17 2S -0.07656 0.02693 0.03137 0.01596 0.04587 18 2PX -0.07670 -0.04272 -0.05550 0.00191 0.09311 19 2PY 0.18207 -0.08724 -0.11892 0.04005 0.30034 20 2PZ -0.06155 0.02772 0.00061 -0.02987 -0.10101 21 3S -0.41079 -0.27356 0.29363 0.26847 0.04253 22 3PX -0.19258 -0.36720 -0.22750 0.10682 0.53486 23 3PY 1.00645 -0.12085 -0.37331 0.33450 2.42455 24 3PZ -0.38474 0.10398 0.08358 -0.16787 -0.69937 25 4XX 0.01108 -0.00415 0.00041 0.00281 -0.01094 26 4YY -0.00898 0.00791 0.00508 0.00142 0.01537 27 4ZZ -0.00118 -0.00046 -0.00190 -0.00059 -0.00031 28 4XY 0.00391 -0.01936 -0.00534 0.00595 -0.02352 29 4XZ 0.00131 0.00438 0.00938 0.00631 0.00995 30 4YZ 0.00097 -0.00146 -0.00369 -0.00293 -0.00283 31 3 C 1S -0.06112 0.04567 0.02890 0.00095 0.05369 32 2S 0.05867 -0.06518 0.00620 0.04909 -0.04096 33 2PX 0.06984 -0.13209 -0.03329 0.03977 -0.09218 34 2PY 0.08452 -0.03731 0.00423 -0.00654 -0.24501 35 2PZ 0.02232 -0.01031 0.08494 0.09775 0.09525 36 3S 1.19388 -0.55843 -0.72899 -0.38989 -1.17313 37 3PX -0.00397 -0.76526 -0.34479 -0.04458 -0.90004 38 3PY -0.15742 -0.09970 -0.10115 -0.35102 -2.03335 39 3PZ 0.31040 0.03796 0.04987 0.16055 0.59615 40 4XX -0.03168 0.00033 -0.00048 -0.00205 0.00304 41 4YY 0.00422 0.01047 0.01172 0.00554 0.00986 42 4ZZ 0.01321 -0.00288 -0.00306 0.00009 -0.00500 43 4XY -0.01345 0.02110 0.01121 -0.01013 -0.00227 44 4XZ 0.00517 -0.00667 -0.01113 -0.00496 -0.00295 45 4YZ -0.00947 -0.00343 -0.00563 -0.00509 -0.00246 46 4 C 1S 0.05292 -0.09197 -0.04216 0.01002 -0.05874 47 2S -0.07499 0.12017 0.04946 -0.03353 0.00854 48 2PX 0.00174 -0.15040 -0.13945 -0.00657 -0.11807 49 2PY 0.16030 0.04914 -0.00294 -0.02740 -0.10013 50 2PZ -0.25189 -0.00278 0.00788 -0.01968 0.03720 51 3S -0.62266 1.73754 0.78641 -0.04703 1.79263 52 3PX -0.37935 -0.40521 -0.49768 -0.39191 -1.24206 53 3PY 0.47910 0.13607 -0.10234 -0.36604 -0.86092 54 3PZ -1.02499 0.13456 0.45240 0.21314 0.53227 55 4XX 0.01622 -0.00090 0.00575 0.00324 -0.01742 56 4YY -0.01802 -0.01804 -0.00241 0.00513 0.00659 57 4ZZ 0.01186 0.00615 -0.01255 -0.01130 0.00095 58 4XY 0.02031 -0.00656 -0.00430 -0.00215 -0.02201 59 4XZ 0.00285 -0.00464 -0.00198 0.00255 -0.00003 60 4YZ 0.00456 0.01473 0.01107 0.00070 0.00875 61 5 C 1S -0.05861 0.02432 -0.03286 -0.04543 0.01832 62 2S 0.05922 -0.01510 0.02455 0.00789 -0.05025 63 2PX -0.07313 -0.05131 0.20666 0.08685 -0.05005 64 2PY 0.01132 -0.02103 0.03413 0.07664 0.00804 65 2PZ -0.19077 0.05771 -0.02587 -0.03420 0.02441 66 3S 1.04157 -0.44044 0.70461 1.22451 -0.19264 67 3PX -0.52754 0.00772 1.06370 0.89549 0.22214 68 3PY -0.05903 -0.02957 0.41944 0.49013 0.33714 69 3PZ -0.70961 0.28489 -0.26761 -0.45846 -0.20594 70 4XX -0.00991 0.01993 -0.01458 -0.01107 0.01326 71 4YY 0.00660 -0.01820 0.01079 0.00342 -0.00033 72 4ZZ -0.00760 0.00302 -0.00503 -0.00439 -0.01870 73 4XY -0.01361 -0.00355 -0.01672 -0.01411 0.00189 74 4XZ -0.00568 -0.00299 0.00515 -0.00083 -0.00161 75 4YZ -0.00940 -0.00356 -0.00197 0.00880 0.00450 76 6 C 1S 0.04916 -0.01576 0.06281 0.00724 -0.01525 77 2S -0.08525 0.02259 -0.08956 0.03937 0.11764 78 2PX 0.04253 -0.03975 0.01501 0.13131 -0.07713 79 2PY 0.00832 -0.10457 0.17246 0.23753 -0.06180 80 2PZ 0.11011 -0.08985 -0.11700 -0.08361 -0.11565 81 3S -0.62351 0.18636 -1.05963 -0.43887 -0.26791 82 3PX 0.07564 -0.02082 0.47439 0.74097 -0.01780 83 3PY -0.08380 -0.27678 0.96404 1.37694 0.09585 84 3PZ 0.28335 -0.18870 -0.32534 -0.30166 -0.11349 85 4XX 0.01742 -0.01752 0.01658 0.00098 -0.01034 86 4YY 0.00558 0.01700 0.00292 0.00976 0.01916 87 4ZZ -0.01283 -0.00080 -0.00567 -0.00314 0.00076 88 4XY -0.00189 -0.00463 0.00168 0.00610 -0.01204 89 4XZ 0.00500 0.00286 -0.00666 -0.00415 -0.00811 90 4YZ 0.00822 0.00147 0.00161 -0.00247 -0.00345 91 7 C 1S -0.02613 0.04821 -0.07882 0.00733 0.00485 92 2S 0.05969 -0.06557 0.13118 0.02500 0.02323 93 2PX -0.07820 -0.06138 0.08803 0.00678 0.00443 94 2PY -0.03977 -0.06348 0.01638 -0.04321 -0.00557 95 2PZ -0.01453 0.03245 0.01002 0.02113 -0.00635 96 3S 0.31040 -0.91424 1.30695 -0.14822 -0.07204 97 3PX -0.16536 -0.30032 0.04542 -0.48317 -0.20160 98 3PY -0.18179 -0.16480 -0.38095 -0.49809 -0.00896 99 3PZ -0.08191 0.20706 0.11712 0.16048 0.13976 100 4XX -0.01060 0.01579 -0.02871 -0.00099 0.01983 101 4YY 0.00879 -0.00923 0.01610 0.01057 -0.01066 102 4ZZ 0.00042 -0.00012 0.00314 -0.00071 0.00038 103 4XY 0.00823 0.01151 -0.00228 -0.00730 0.00652 104 4XZ -0.00432 -0.00062 0.01228 0.00374 0.00295 105 4YZ 0.00628 -0.00553 -0.00425 -0.00060 -0.00659 106 8 C 1S -0.01333 -0.04990 0.03942 -0.02512 -0.00749 107 2S 0.02790 0.08471 -0.06558 0.05328 0.00421 108 2PX 0.03178 -0.05663 0.10144 0.13447 -0.06662 109 2PY 0.05367 -0.10016 0.17743 -0.12604 -0.02424 110 2PZ -0.01138 -0.00436 -0.07763 -0.01499 -0.00198 111 3S 0.15177 0.80215 -0.48424 0.86208 0.29713 112 3PX -0.20291 -0.35818 0.02260 0.17102 0.08063 113 3PY 0.35879 -0.24697 0.62171 -0.34890 -0.35137 114 3PZ 0.04513 0.05539 -0.12734 0.02225 0.00446 115 4XX 0.00408 -0.01185 0.02710 -0.00234 -0.00163 116 4YY -0.00686 -0.00169 -0.01157 0.00297 0.00219 117 4ZZ -0.00092 0.00320 -0.00254 0.00028 0.00117 118 4XY -0.00096 -0.00866 0.01248 -0.00060 0.00656 119 4XZ 0.00053 0.00325 -0.01084 -0.00065 -0.00200 120 4YZ 0.00523 0.00063 -0.00301 -0.00127 -0.00354 121 9 C 1S 0.01065 0.00768 0.01726 -0.00188 0.01624 122 2S -0.01167 -0.01682 0.00381 0.06390 -0.02716 123 2PX -0.06104 0.02781 -0.10721 0.02295 0.03906 124 2PY -0.00180 -0.02352 0.06694 -0.16278 0.04486 125 2PZ 0.01307 0.00727 0.02055 0.02403 -0.01493 126 3S -0.04660 -0.00187 -0.36354 -0.52643 -0.41623 127 3PX -0.35592 0.02420 -0.47096 0.13536 0.29116 128 3PY -0.09809 -0.22828 0.42813 -0.75176 0.40507 129 3PZ 0.05114 0.05664 0.04075 0.09135 -0.09542 130 4XX 0.00012 0.01618 -0.02280 0.02838 -0.00747 131 4YY 0.00694 -0.01425 0.03178 -0.01839 0.00379 132 4ZZ -0.00172 -0.00048 -0.00161 -0.00073 0.00083 133 4XY -0.00745 -0.00450 -0.00635 -0.02447 0.00767 134 4XZ 0.00129 -0.00147 0.00748 -0.00141 0.00128 135 4YZ 0.00048 0.00235 -0.00537 0.00739 -0.00283 136 10 C 1S -0.00722 -0.02058 -0.00060 0.04402 -0.01477 137 2S 0.03340 0.04092 0.01548 0.01476 -0.01002 138 2PX -0.01153 0.17105 -0.22856 0.22311 -0.07670 139 2PY 0.04823 -0.08587 0.20782 -0.02041 0.03552 140 2PZ 0.00402 -0.03156 -0.00251 -0.03917 -0.00177 141 3S -0.06937 0.32729 -0.16454 -1.32852 0.48763 142 3PX 0.20943 0.69043 -0.54270 1.36219 -0.51782 143 3PY 0.13360 -0.16748 0.62373 0.53347 0.08693 144 3PZ -0.04976 -0.10829 -0.00634 -0.32540 0.07947 145 4XX -0.00048 -0.00126 0.00004 -0.00051 -0.00093 146 4YY -0.00617 0.00083 -0.01186 0.01573 -0.00420 147 4ZZ 0.00200 -0.00093 0.00376 -0.01395 0.00344 148 4XY -0.00309 0.00370 -0.00769 0.00731 0.00129 149 4XZ 0.00085 -0.00057 0.00203 -0.00427 0.00081 150 4YZ 0.00172 -0.00006 0.00517 -0.00654 0.00177 151 11 C 1S -0.00270 0.02737 -0.03129 0.01444 -0.00457 152 2S 0.00967 -0.01732 0.02973 -0.00099 -0.00604 153 2PX -0.00636 0.06521 -0.07142 -0.04351 0.01769 154 2PY -0.02881 -0.05256 0.02844 -0.16419 0.03695 155 2PZ -0.00101 0.00499 0.01524 0.03355 -0.00458 156 3S -0.04233 -0.56844 0.54296 -0.51495 0.22732 157 3PX 0.03984 0.65470 -0.69468 0.36192 -0.20607 158 3PY -0.07105 -0.14589 -0.00180 -0.47585 0.03767 159 3PZ -0.01112 -0.07579 0.13987 0.00899 0.03563 160 4XX -0.00085 0.01654 -0.02018 0.00560 -0.00430 161 4YY 0.00218 -0.00154 0.00454 0.01812 -0.00368 162 4ZZ -0.00103 -0.00856 0.00935 -0.01642 0.00547 163 4XY -0.00219 -0.00822 0.00391 -0.01956 0.00286 164 4XZ 0.00004 -0.00343 0.00631 -0.00154 0.00200 165 4YZ -0.00009 -0.00002 0.00016 -0.00266 0.00112 166 12 H 1S 0.01015 -0.00742 0.02337 0.06172 -0.01232 167 2S -0.08436 -0.08903 -0.02894 -0.43681 0.04503 168 13 H 1S -0.00799 -0.03688 0.03476 -0.05313 0.01911 169 2S -0.01004 -0.02685 0.12344 0.17623 0.01093 170 14 H 1S -0.00733 -0.03711 0.03463 -0.05287 0.01905 171 2S 0.02526 -0.07235 0.08776 0.17179 -0.00520 172 15 O 1S -0.01164 -0.00947 -0.00808 -0.08137 0.01777 173 2S 0.01199 0.00932 0.00986 0.10256 -0.01277 174 2PX -0.02026 -0.02587 -0.00140 0.05590 -0.01683 175 2PY -0.00321 0.03787 -0.05910 0.12441 -0.02785 176 2PZ 0.00627 -0.00103 0.01143 -0.02800 0.00521 177 3S 0.21905 0.19796 0.12855 1.48929 -0.37505 178 3PX 0.03063 -0.04716 0.12476 0.31719 -0.05009 179 3PY 0.05892 0.14102 -0.09297 0.57691 -0.17272 180 3PZ -0.01850 -0.00741 -0.00336 -0.14349 0.03773 181 4XX -0.00774 -0.00123 -0.01234 -0.01741 0.00474 182 4YY 0.00084 -0.00562 0.00808 -0.02001 0.00649 183 4ZZ -0.00549 -0.00352 -0.00305 -0.04052 0.01349 184 4XY 0.00645 0.00583 0.00310 0.02337 -0.00481 185 4XZ 0.00029 -0.00248 0.00077 -0.00890 0.00171 186 4YZ -0.00242 -0.00085 -0.00276 -0.00830 0.00216 187 16 H 1S 0.00328 0.02288 -0.02780 -0.06375 0.01641 188 2S 0.39811 0.17570 0.25089 0.42194 -0.29611 189 17 H 1S -0.04111 -0.00652 -0.06063 0.04020 0.00183 190 2S -0.50848 -0.04349 -0.63113 0.31429 0.20060 191 18 H 1S 0.00326 -0.00855 0.00300 0.03834 -0.04520 192 2S -0.31866 0.13372 -0.81513 -0.27312 -0.04545 193 19 C 1S 0.00780 0.01657 0.02547 0.01700 0.00547 194 2S -0.01767 -0.00042 -0.01122 0.02828 0.02934 195 2PX -0.00782 0.00346 -0.00166 0.03316 0.08400 196 2PY -0.11889 -0.12530 -0.06050 0.05599 -0.06547 197 2PZ -0.03334 0.14696 0.08442 -0.01773 0.03140 198 3S -0.19494 -0.40317 -0.75367 -0.62319 -0.19072 199 3PX 0.02125 0.25834 -0.35272 -0.37516 0.11078 200 3PY -0.44726 -0.16576 0.17797 0.80381 0.12140 201 3PZ -0.03100 0.47380 0.32763 -0.04796 0.15815 202 4XX 0.00848 -0.00193 0.00993 0.00174 -0.00119 203 4YY -0.01189 -0.00349 0.00205 0.01646 0.00872 204 4ZZ 0.00388 0.01160 -0.00654 -0.00853 0.00109 205 4XY 0.00554 -0.00405 0.00270 -0.01668 0.00377 206 4XZ 0.00407 0.00821 0.00099 0.00054 -0.00017 207 4YZ -0.01012 0.00394 -0.00231 -0.00181 -0.00039 208 20 H 1S 0.02301 -0.03616 0.02702 -0.05251 0.00190 209 2S 0.37170 0.20328 0.52600 -0.12534 -0.11306 210 21 H 1S 0.03582 0.07187 0.00937 -0.02379 0.01057 211 2S 0.16279 0.87844 0.33634 -0.17783 0.34282 212 22 H 1S -0.01370 0.00241 -0.05342 -0.03476 -0.02470 213 2S 0.28998 -0.17766 -0.30059 -0.17788 -0.04226 214 23 H 1S -0.01255 0.01093 0.00388 0.04930 0.00469 215 2S -0.03730 -0.06573 0.34423 0.17411 0.10663 216 24 H 1S 0.06276 -0.02416 0.07177 0.02939 0.02297 217 2S 0.11204 0.01884 -0.03656 0.00707 0.35936 218 25 H 1S 0.00532 0.05222 0.03864 -0.00200 0.06325 219 2S -0.14378 -0.09489 0.28708 0.15662 0.15463 220 26 H 1S -0.11291 -0.09367 -0.03425 0.04247 0.06386 221 2S -0.88659 -1.16376 -0.37424 0.34349 0.05651 222 27 H 1S 0.03507 0.04044 0.03619 0.02660 0.01709 223 2S -0.41304 0.46181 0.26077 -0.24596 -1.19662 224 28 C 1S 0.03128 0.02212 0.00282 0.00125 0.02954 225 2S -0.01067 -0.00263 0.00093 0.00643 0.06652 226 2PX -0.10283 -0.02465 0.01042 -0.00110 0.02331 227 2PY -0.01011 -0.18300 -0.06205 0.05761 0.02708 228 2PZ 0.06195 0.00566 -0.00607 0.00663 -0.02558 229 3S -0.88660 -0.61063 -0.08163 -0.08308 -1.30594 230 3PX -0.67645 -0.14337 0.14149 -0.06487 -0.87285 231 3PY 0.25406 -0.37518 -0.12915 0.29669 1.16911 232 3PZ 0.09493 0.06070 0.03418 -0.04561 -0.23665 233 4XX 0.00327 -0.00213 -0.00444 0.00059 0.00540 234 4YY 0.01292 0.00766 0.00283 0.00064 0.01645 235 4ZZ -0.00873 0.00241 0.00192 -0.00174 -0.00705 236 4XY 0.00339 0.01227 0.00491 -0.00764 -0.02108 237 4XZ -0.00307 -0.00125 -0.00086 0.00004 0.00503 238 4YZ -0.00468 -0.00285 0.00379 0.00337 -0.00478 239 29 H 1S 0.04602 0.06122 0.00876 -0.03630 -0.08139 240 2S 0.75160 0.90177 0.14404 -0.25428 -0.09091 241 30 H 1S -0.04829 -0.00797 0.00382 -0.00707 -0.05122 242 2S -0.10731 0.03835 0.09824 -0.00857 -0.22651 243 31 H 1S -0.04370 -0.01828 0.00961 0.01110 -0.05480 244 2S -0.34657 0.19194 0.13522 -0.07830 -0.20847 245 32 H 1S 0.03289 -0.04493 -0.04052 0.00396 0.03855 246 2S -0.39232 -0.54490 -0.16252 0.10465 0.17443 247 33 H 1S 0.01487 -0.01081 -0.00574 0.01417 0.06882 248 2S 0.39097 -0.14892 -0.17024 0.02677 0.11995 249 34 H 1S 0.00198 -0.00275 -0.01670 -0.00053 0.06204 250 2S 0.26358 -0.09547 -0.06055 0.05183 0.15403 86 87 88 89 90 V V V V V Eigenvalues -- 0.36457 0.38598 0.41856 0.45307 0.45487 1 1 C 1S 0.00301 0.00386 -0.00326 -0.00310 -0.00324 2 2S 0.00624 0.01678 -0.03921 0.00674 -0.00777 3 2PX 0.02182 0.01801 -0.07249 0.18986 0.15992 4 2PY 0.01777 0.00135 -0.02078 -0.04384 -0.08375 5 2PZ -0.00324 -0.00129 0.02395 0.00062 0.03134 6 3S -0.07204 -0.20852 0.28591 0.30324 0.33273 7 3PX -0.09249 -0.11512 0.23220 -0.51098 -0.44783 8 3PY 0.02598 -0.18893 0.14517 0.77128 0.69624 9 3PZ 0.01467 0.06825 -0.07432 -0.16296 -0.18010 10 4XX -0.00119 -0.00057 0.00340 -0.00116 0.00056 11 4YY 0.00248 0.00276 -0.00886 0.01886 0.01506 12 4ZZ 0.00051 0.00051 0.00015 -0.01408 -0.01556 13 4XY 0.00060 0.00289 -0.00173 -0.01021 -0.01075 14 4XZ -0.00167 -0.00212 0.00095 0.00088 -0.00214 15 4YZ -0.00287 -0.00268 0.00474 -0.01092 -0.00961 16 2 C 1S -0.00278 0.00534 -0.00220 -0.03993 -0.03397 17 2S -0.00137 -0.00632 -0.01224 0.08936 0.12215 18 2PX -0.00156 -0.04102 -0.00078 0.20917 0.20893 19 2PY -0.02405 -0.03250 0.03174 -0.05780 -0.05071 20 2PZ -0.00744 0.01036 -0.03904 -0.03695 -0.00447 21 3S 0.26739 -0.13869 -0.09971 2.12111 1.78119 22 3PX 0.21085 -0.29413 0.02755 2.67184 2.32902 23 3PY -0.11686 -0.21177 0.42542 -0.69499 -0.60539 24 3PZ -0.02367 0.05426 -0.06104 -0.04062 -0.02842 25 4XX 0.00767 0.00532 -0.01245 0.02343 0.02480 26 4YY -0.00156 -0.00163 0.00396 -0.00091 0.00592 27 4ZZ -0.00173 -0.00049 0.00002 -0.00170 -0.00301 28 4XY 0.00540 0.00806 -0.01873 0.00766 0.00071 29 4XZ 0.00368 0.00296 0.00029 -0.00466 0.00288 30 4YZ -0.00224 -0.00215 0.00267 -0.00094 -0.00304 31 3 C 1S -0.00682 -0.01502 0.01815 0.04131 0.04283 32 2S 0.05241 0.05633 -0.08631 0.02250 0.10025 33 2PX 0.02922 0.03327 -0.05028 0.01115 0.01764 34 2PY 0.01283 0.06692 -0.06519 -0.11808 -0.01262 35 2PZ 0.05648 0.04822 -0.06318 0.00632 0.07313 36 3S -0.29506 0.20423 0.01622 -2.54277 -2.45501 37 3PX 0.24693 -0.15669 -0.24520 2.64563 2.21456 38 3PY -0.07234 0.22134 -0.33492 -0.35752 -0.38637 39 3PZ 0.03293 -0.03024 0.07763 -0.10340 -0.17105 40 4XX -0.00579 -0.00552 0.00189 0.00399 0.01740 41 4YY 0.00364 0.00667 -0.00274 -0.01431 -0.00428 42 4ZZ 0.00146 0.00330 -0.00339 0.00050 -0.00031 43 4XY -0.00646 -0.00429 0.01979 -0.02529 -0.01796 44 4XZ -0.00447 -0.00489 0.00165 0.00778 -0.00098 45 4YZ -0.00189 -0.00425 0.00546 0.01012 0.00125 46 4 C 1S 0.00839 0.00957 -0.01847 -0.00364 -0.00703 47 2S -0.02380 -0.01198 0.02205 0.01751 0.04796 48 2PX 0.01313 0.02085 -0.08964 0.01098 -0.09804 49 2PY 0.01875 0.00963 -0.06954 0.18555 0.18209 50 2PZ -0.03079 -0.05194 0.04888 -0.09949 -0.09606 51 3S -0.19693 -0.17999 0.42797 -0.65332 -0.28782 52 3PX -0.17412 0.00382 -0.03475 -0.27928 -0.24954 53 3PY -0.11722 -0.07932 0.04428 0.51817 0.58667 54 3PZ 0.10159 -0.00665 0.05100 -0.22731 0.01111 55 4XX 0.00229 0.00771 -0.00330 -0.03020 -0.01771 56 4YY 0.00392 -0.00440 -0.00053 0.02492 0.03288 57 4ZZ -0.01134 -0.00258 0.00463 -0.00836 -0.01096 58 4XY 0.00106 0.00859 -0.00281 -0.02095 -0.00852 59 4XZ -0.00286 -0.00327 -0.00415 -0.00129 0.01162 60 4YZ 0.00794 0.00671 0.00861 -0.00287 -0.02188 61 5 C 1S -0.02153 -0.02842 0.01772 -0.00571 -0.00702 62 2S -0.02837 0.01560 0.07839 0.01654 0.01310 63 2PX 0.08881 0.00974 0.18071 0.14486 -0.02615 64 2PY 0.07723 -0.00592 -0.06389 0.07208 -0.00660 65 2PZ -0.05617 0.01043 -0.04871 0.02023 0.08772 66 3S 0.90341 0.55614 -1.10222 0.54578 -0.04475 67 3PX 0.54410 0.19748 -0.71582 -0.19575 0.43144 68 3PY 0.77933 0.46747 -0.06273 0.39137 -0.80237 69 3PZ -0.38908 -0.18310 0.28220 -0.39311 -0.25920 70 4XX -0.01483 -0.00416 -0.01531 0.01890 -0.00803 71 4YY 0.01143 -0.00301 0.02884 -0.00270 0.01386 72 4ZZ -0.00566 -0.00082 -0.00389 -0.00441 -0.00532 73 4XY -0.01295 -0.02176 0.01883 0.01360 0.00100 74 4XZ 0.00406 0.00012 0.01434 -0.00653 -0.01044 75 4YZ -0.00383 0.00272 -0.02183 -0.00208 0.00665 76 6 C 1S 0.00225 0.00095 0.00058 -0.03605 0.06025 77 2S -0.00586 0.09488 -0.03842 0.08812 -0.02905 78 2PX 0.13076 0.29743 -0.02933 0.12804 -0.17524 79 2PY 0.11395 -0.03762 -0.15965 -0.18801 0.04578 80 2PZ -0.05205 -0.03795 0.00918 -0.04631 -0.02528 81 3S 0.75715 -0.32734 0.75711 1.76700 -2.43365 82 3PX 1.59655 0.74066 0.05694 2.12718 -2.25373 83 3PY 0.70068 -0.35159 -1.91573 -0.85421 1.29731 84 3PZ -0.34353 -0.04947 0.23419 -0.13927 0.30241 85 4XX 0.01357 -0.01115 0.04448 0.01227 -0.00494 86 4YY 0.01255 0.01856 -0.05380 0.00811 0.01553 87 4ZZ -0.00930 -0.00039 0.00413 0.00019 -0.00584 88 4XY -0.00993 -0.00843 0.01490 0.02799 -0.01832 89 4XZ -0.00285 0.00510 -0.01173 -0.00941 0.00380 90 4YZ -0.00099 -0.00114 0.00587 -0.00537 0.00560 91 7 C 1S 0.00238 0.02792 -0.06163 0.06714 -0.07679 92 2S 0.02674 -0.02376 0.05028 -0.05230 0.06650 93 2PX -0.12123 -0.01308 0.08649 0.06768 -0.06658 94 2PY -0.22941 0.03969 0.13510 -0.12158 0.16394 95 2PZ 0.04907 -0.00804 -0.06714 -0.01405 0.06118 96 3S -0.75724 -0.34612 1.33524 -2.57739 3.14159 97 3PX 0.63086 0.56714 2.62754 1.76907 -1.87739 98 3PY -1.73826 0.36880 1.06496 -1.18253 1.41662 99 3PZ 0.15496 -0.16624 -0.59397 -0.13624 0.02423 100 4XX -0.00899 0.04197 -0.02837 0.00161 0.00394 101 4YY 0.00146 -0.03060 0.00388 0.01363 -0.00775 102 4ZZ 0.00150 -0.00457 0.00523 -0.01108 0.00582 103 4XY -0.00963 -0.02307 -0.03461 -0.02126 0.02061 104 4XZ 0.00416 -0.00680 0.01268 0.00309 0.00297 105 4YZ 0.00210 0.00976 0.00396 -0.00044 0.00301 106 8 C 1S 0.00393 -0.08000 0.06033 -0.00439 0.00615 107 2S -0.08571 0.08716 -0.07278 0.02527 -0.02722 108 2PX -0.03958 0.15457 0.29513 0.05952 0.02721 109 2PY 0.09803 -0.07402 0.22446 0.00749 -0.02283 110 2PZ -0.01245 -0.02389 -0.08600 -0.05037 -0.03782 111 3S 0.39019 2.60886 -1.73162 -0.81220 1.09082 112 3PX -0.86610 2.25331 1.73772 -1.08630 1.48622 113 3PY 0.68184 -0.87398 1.71415 0.83292 -0.83307 114 3PZ 0.05639 -0.26678 -0.58957 0.10284 -0.09271 115 4XX -0.03018 -0.02662 -0.00450 -0.01745 0.02458 116 4YY 0.02762 0.01834 0.00702 0.00772 -0.01497 117 4ZZ -0.00494 0.00582 -0.00565 -0.00029 0.00040 118 4XY -0.02170 0.02850 0.00216 0.00113 -0.00516 119 4XZ 0.00896 0.00236 0.00054 0.00255 -0.00936 120 4YZ -0.00105 -0.00690 -0.00213 -0.00010 0.00213 121 9 C 1S -0.04775 0.10196 -0.04410 0.02186 -0.01225 122 2S -0.04656 -0.20105 0.02172 -0.07936 0.06418 123 2PX 0.02342 0.24440 -0.02117 0.02258 -0.05188 124 2PY -0.05087 0.08597 -0.13513 0.14360 -0.09141 125 2PZ 0.00508 -0.05619 0.01818 -0.02671 0.03854 126 3S 2.15163 -2.52441 0.98933 0.48086 -0.67471 127 3PX -0.02706 2.53521 -0.02305 -0.95802 1.37248 128 3PY -0.85875 -0.66138 -2.07616 0.66654 -1.03777 129 3PZ 0.13477 -0.36048 0.32639 0.06736 -0.10853 130 4XX 0.00908 0.01256 0.00658 0.01828 -0.01506 131 4YY -0.02768 -0.00606 -0.00616 0.01295 -0.01138 132 4ZZ 0.00194 -0.01026 -0.00138 -0.01625 0.01214 133 4XY 0.02737 -0.01545 -0.02694 0.00048 -0.01456 134 4XZ -0.00551 -0.00202 0.00213 -0.00549 0.01176 135 4YZ 0.00008 0.00193 0.00579 -0.00619 0.00653 136 10 C 1S -0.00359 -0.01834 0.05248 -0.01188 0.00896 137 2S -0.08017 -0.02246 -0.01754 0.02906 -0.01343 138 2PX 0.14286 -0.06631 0.18201 0.01471 -0.01689 139 2PY -0.32530 0.09524 -0.14368 0.14812 -0.12966 140 2PZ 0.02377 -0.00296 -0.01439 -0.03288 0.02482 141 3S 0.36652 0.01208 -1.73781 0.08409 -0.31883 142 3PX -0.19470 -1.51538 0.68544 0.33598 -0.51417 143 3PY -1.97908 -0.52996 -1.30638 0.98410 -1.27234 144 3PZ 0.33345 0.35360 0.07736 -0.20114 0.28497 145 4XX 0.00262 -0.02098 -0.00224 0.00691 -0.01674 146 4YY -0.00698 -0.00424 0.02178 -0.01686 0.01439 147 4ZZ 0.00751 0.01626 -0.00801 -0.00338 0.01067 148 4XY -0.01370 0.05315 0.01089 0.00064 0.01606 149 4XZ 0.00328 -0.00062 -0.00307 -0.00249 0.00283 150 4YZ 0.00522 -0.00601 -0.00740 0.00268 -0.00292 151 11 C 1S 0.01611 -0.00593 0.00544 -0.00234 0.00283 152 2S -0.01731 -0.11438 -0.01558 0.01836 -0.05443 153 2PX 0.06254 0.20565 0.00556 -0.07347 0.14814 154 2PY 0.05067 -0.15661 -0.13659 0.02401 -0.10281 155 2PZ -0.01882 -0.01293 0.02037 0.01113 -0.01082 156 3S -0.20998 1.05012 -0.14965 -0.12483 0.30265 157 3PX 0.66916 -0.59251 0.39311 -0.06519 -0.03145 158 3PY 0.59752 0.19565 0.33263 -0.29536 0.44034 159 3PZ -0.20960 0.07543 -0.12108 0.05447 -0.06194 160 4XX 0.02840 -0.01568 0.01127 -0.00284 -0.00101 161 4YY -0.02181 0.01607 0.01389 -0.00024 0.00931 162 4ZZ -0.00418 -0.01026 -0.02142 0.00261 -0.01037 163 4XY 0.02117 -0.01645 0.00051 -0.01650 0.01120 164 4XZ -0.01025 0.00372 -0.00723 0.00413 -0.00357 165 4YZ -0.00101 -0.00162 -0.00659 0.00354 -0.00571 166 12 H 1S -0.08946 0.07054 0.04097 0.01578 0.02671 167 2S 0.39858 -0.28305 -0.01335 -0.09943 0.05723 168 13 H 1S -0.02197 -0.01693 -0.05738 0.00313 -0.02178 169 2S -0.34777 -0.02398 -0.14115 0.14212 -0.16755 170 14 H 1S -0.02198 -0.01681 -0.05765 0.00331 -0.02042 171 2S -0.34785 -0.02326 -0.14246 0.13974 -0.16571 172 15 O 1S 0.05418 0.04530 -0.00637 -0.02725 0.03378 173 2S -0.04276 -0.02812 -0.00875 -0.01478 0.00988 174 2PX -0.18699 0.06654 0.06519 0.10084 -0.08732 175 2PY -0.01486 -0.01811 0.05743 -0.07374 0.08300 176 2PZ 0.03687 -0.00945 -0.02291 -0.00773 0.00763 177 3S -1.28569 -1.10037 0.12064 0.75716 -0.94139 178 3PX -0.55826 -0.14629 -0.07286 0.25101 -0.30327 179 3PY -0.18501 -0.37264 0.24917 0.14889 -0.18516 180 3PZ 0.12854 0.08204 -0.02390 -0.06777 0.07985 181 4XX 0.01550 0.01482 0.00113 -0.02167 0.02149 182 4YY 0.01949 0.00510 -0.01323 -0.00924 0.00751 183 4ZZ 0.03428 0.03595 -0.01402 -0.03016 0.03559 184 4XY -0.02152 -0.02358 -0.01238 0.00042 -0.00359 185 4XZ 0.00774 0.00842 -0.00177 -0.00256 0.00427 186 4YZ 0.00679 0.01006 0.00220 -0.00407 0.00543 187 16 H 1S 0.10078 0.00131 -0.10733 0.06535 -0.09513 188 2S -0.00766 -0.74101 0.68703 0.09453 -0.10570 189 17 H 1S 0.11636 0.02664 0.04567 -0.01705 -0.00828 190 2S -0.60868 -0.00364 -0.98353 -0.65981 0.63145 191 18 H 1S -0.05182 -0.08613 0.03880 0.08634 -0.05582 192 2S -1.59263 0.38288 0.41163 -0.39389 0.50185 193 19 C 1S 0.00950 -0.00345 -0.01172 0.00080 -0.00075 194 2S 0.00791 0.04955 -0.11872 -0.07163 0.10289 195 2PX 0.04933 0.09299 -0.03126 -0.10661 0.05330 196 2PY 0.01559 -0.12761 0.16272 -0.01014 -0.10361 197 2PZ -0.01188 -0.01057 -0.00501 0.00852 0.01031 198 3S -0.39476 0.03938 1.01732 0.35402 -0.68618 199 3PX -0.52891 -0.37947 0.10111 -0.40120 0.61311 200 3PY 0.39647 -0.40396 -1.25686 -0.52397 0.54227 201 3PZ 0.04561 0.11756 0.19672 0.22233 -0.09307 202 4XX 0.00476 0.00699 0.00597 0.01101 -0.00894 203 4YY 0.00601 0.00433 -0.02103 -0.02745 0.00647 204 4ZZ -0.01102 0.00039 -0.00212 0.00272 0.01379 205 4XY -0.00699 0.00752 0.01911 -0.02772 0.01984 206 4XZ -0.00003 0.00046 -0.00330 0.00944 0.00786 207 4YZ -0.00251 -0.00178 0.00053 0.00830 -0.00737 208 20 H 1S -0.02884 0.06642 0.10626 -0.05830 -0.01160 209 2S 0.18201 0.55331 0.40161 0.56320 -0.49848 210 21 H 1S -0.02553 -0.01125 0.03599 0.08487 0.02901 211 2S -0.14980 -0.02476 0.10149 -0.03443 0.34260 212 22 H 1S -0.04452 -0.02520 0.02830 0.03448 -0.03803 213 2S -0.17278 0.01151 0.02310 -0.17357 0.17454 214 23 H 1S -0.00210 0.02677 -0.14510 0.01404 0.07527 215 2S 0.07195 -0.15415 0.01736 0.01515 0.37337 216 24 H 1S 0.09890 0.04114 0.07933 -0.02663 -0.02576 217 2S 0.47095 0.12961 0.19529 0.30810 -0.65186 218 25 H 1S 0.02672 0.01852 0.05081 0.00564 -0.08716 219 2S 0.10966 -0.01894 0.03166 0.12403 0.27131 220 26 H 1S -0.00573 -0.04181 -0.04693 0.07226 0.11714 221 2S 0.09184 0.06646 -0.13311 -0.64664 -0.72504 222 27 H 1S 0.00747 0.02926 -0.04204 -0.01720 -0.00177 223 2S -0.11154 0.15510 -0.15439 -0.37175 -0.20332 224 28 C 1S -0.00357 -0.00234 0.00385 -0.00330 -0.00107 225 2S -0.00347 -0.00539 0.02846 -0.05939 -0.03669 226 2PX 0.00059 -0.00278 0.01809 0.07228 0.12744 227 2PY 0.02114 0.00927 -0.05553 0.07897 0.03463 228 2PZ -0.00776 0.00986 -0.03905 -0.07520 -0.02879 229 3S 0.12289 0.08729 -0.27470 0.62927 0.47649 230 3PX 0.02603 0.13977 -0.15323 -0.54330 -0.57747 231 3PY -0.05374 -0.05581 0.22647 -0.83324 -0.76344 232 3PZ 0.03177 0.00315 -0.00202 0.34376 0.26255 233 4XX -0.00030 -0.00137 -0.00082 0.01225 0.00995 234 4YY -0.00148 -0.00115 0.00642 -0.00217 0.00543 235 4ZZ -0.00057 0.00100 -0.00022 -0.01628 -0.01717 236 4XY -0.00002 0.00230 -0.00106 0.00734 0.01385 237 4XZ -0.00093 -0.00222 0.00445 -0.00032 -0.00427 238 4YZ 0.00303 0.00241 -0.00268 -0.00292 -0.00681 239 29 H 1S -0.00684 0.00560 -0.01171 0.07756 0.11723 240 2S -0.04786 -0.06193 0.03834 0.60996 0.61492 241 30 H 1S 0.00171 0.00125 0.00054 -0.01130 -0.04188 242 2S 0.00406 0.05077 -0.03355 -0.15886 -0.13106 243 31 H 1S 0.01007 0.01719 -0.03820 -0.04544 -0.04944 244 2S -0.01541 0.03032 -0.00880 -0.17604 -0.12818 245 32 H 1S 0.00735 -0.01014 -0.00986 0.12306 0.10928 246 2S 0.08092 -0.07327 -0.00505 0.52490 0.41110 247 33 H 1S -0.00314 -0.00610 0.02128 -0.06040 -0.04329 248 2S -0.01489 -0.00177 -0.00516 -0.13582 -0.13207 249 34 H 1S -0.01277 -0.01556 0.02976 -0.05945 -0.06588 250 2S 0.00687 0.00597 0.00957 -0.11875 -0.12179 91 92 93 94 95 V V V V V Eigenvalues -- 0.48424 0.49989 0.51442 0.51991 0.52843 1 1 C 1S -0.00112 -0.00099 -0.00238 -0.00014 -0.00921 2 2S -0.03550 -0.10920 0.06536 0.00646 0.09339 3 2PX -0.11692 -0.13465 0.02475 -0.02781 -0.06913 4 2PY -0.03125 -0.27168 0.22300 0.05367 0.37888 5 2PZ -0.03320 0.07059 -0.05233 -0.08532 -0.07545 6 3S 0.09044 0.32746 -0.11223 0.01241 -0.17184 7 3PX 0.26387 0.29942 -0.08015 0.02638 0.13953 8 3PY 0.06624 0.38383 -0.15013 0.02754 -0.24231 9 3PZ 0.03240 -0.10761 0.08648 0.07610 0.01046 10 4XX 0.00347 -0.00033 0.01115 0.00679 0.03242 11 4YY -0.01530 -0.00579 -0.02121 -0.01151 -0.07372 12 4ZZ 0.00495 -0.01257 0.01749 0.00617 0.03933 13 4XY -0.00046 -0.01404 0.01208 0.00461 0.01576 14 4XZ 0.00595 0.00305 -0.00189 0.00648 -0.00630 15 4YZ 0.00580 -0.00212 0.00951 0.00474 0.03770 16 2 C 1S 0.00018 0.00228 -0.00583 -0.00448 0.01312 17 2S 0.00130 0.16122 -0.07767 -0.06012 -0.04033 18 2PX 0.02399 0.06309 0.03326 0.03633 0.24834 19 2PY 0.03482 0.03290 -0.08264 0.03013 -0.05438 20 2PZ 0.01891 0.00326 -0.20768 0.15439 0.04205 21 3S -0.26982 -0.54057 0.73477 0.31965 1.31091 22 3PX -0.26589 -0.19293 0.51174 0.23303 0.59528 23 3PY 0.19931 0.18800 -0.10456 0.00484 -0.11242 24 3PZ -0.07748 -0.06444 0.07225 -0.12091 -0.04680 25 4XX -0.01901 0.00038 -0.01575 -0.01383 -0.02263 26 4YY 0.00524 0.01746 0.01712 -0.00135 0.08644 27 4ZZ 0.00400 0.00253 -0.00668 0.00331 -0.02453 28 4XY -0.02139 -0.06078 0.02358 0.00381 -0.01451 29 4XZ 0.00324 0.01950 -0.01406 0.00063 0.00841 30 4YZ 0.00025 -0.00061 -0.00260 -0.00671 -0.03763 31 3 C 1S 0.00489 0.00455 0.01454 0.00597 0.01599 32 2S -0.07007 0.14651 -0.05528 -0.10237 0.06988 33 2PX -0.00738 -0.05387 0.08637 0.04578 0.18073 34 2PY -0.03206 0.14071 -0.12581 -0.03651 0.08366 35 2PZ -0.03975 -0.01393 -0.19478 0.09619 0.03672 36 3S 0.46913 0.26902 -0.57601 -0.16046 -0.60609 37 3PX -0.23355 -0.17758 0.47182 0.19639 0.98541 38 3PY 0.03481 0.09319 -0.12420 -0.16288 -0.17591 39 3PZ 0.12254 0.02036 0.09568 0.06871 -0.08849 40 4XX 0.01770 0.05169 -0.00603 -0.00622 0.03632 41 4YY -0.01478 -0.00320 0.00789 -0.02236 -0.00850 42 4ZZ -0.00170 -0.00023 -0.00660 0.00635 -0.00298 43 4XY 0.01983 0.04924 -0.01134 -0.00873 0.01801 44 4XZ -0.00294 -0.02639 0.01240 0.00433 -0.01610 45 4YZ -0.00431 -0.01289 0.00202 0.00193 -0.00417 46 4 C 1S 0.00272 0.00622 -0.00991 -0.00367 0.00963 47 2S 0.01403 0.08068 -0.04097 0.06700 0.01322 48 2PX -0.09974 -0.41763 0.05663 0.16220 -0.16891 49 2PY -0.06237 -0.11694 -0.04546 0.13078 0.06365 50 2PZ 0.15661 -0.03021 -0.27671 0.31134 -0.04326 51 3S 0.03359 -0.27429 0.04977 0.05642 -0.24385 52 3PX 0.23769 0.60718 -0.21949 -0.28884 0.24930 53 3PY -0.03455 -0.00646 0.29062 -0.05569 0.49756 54 3PZ -0.29297 -0.08993 0.31690 -0.55485 -0.18260 55 4XX 0.00172 0.00071 -0.00952 0.01372 -0.00040 56 4YY 0.00115 0.02217 0.00379 0.00208 0.01926 57 4ZZ 0.00319 -0.00609 -0.01615 0.00780 -0.01008 58 4XY 0.00330 0.02073 -0.00870 0.00578 0.02580 59 4XZ 0.02157 0.01096 -0.02954 0.02745 0.00761 60 4YZ -0.01140 -0.02076 0.01915 -0.01242 -0.02064 61 5 C 1S 0.00752 -0.00941 -0.00496 0.00283 -0.00674 62 2S 0.03579 -0.01299 0.01718 0.06051 0.00876 63 2PX 0.02002 -0.04516 0.11923 0.09955 -0.05669 64 2PY 0.16567 -0.05912 -0.00718 0.25482 0.00126 65 2PZ -0.16012 0.00759 0.17588 -0.19650 0.00073 66 3S -0.12771 0.09775 0.07368 -0.15795 -0.03137 67 3PX -0.10787 0.00670 -0.06698 -0.12301 0.03359 68 3PY -0.25910 0.12402 0.06556 -0.40684 -0.22252 69 3PZ 0.25811 -0.11360 -0.31846 0.23811 -0.04554 70 4XX 0.00757 -0.01481 0.00559 0.01644 -0.01677 71 4YY -0.01079 0.01899 0.02438 -0.05422 0.00635 72 4ZZ 0.01898 -0.01722 -0.02963 0.04978 0.00382 73 4XY 0.01319 -0.01305 -0.00124 0.00154 -0.01166 74 4XZ 0.00145 -0.02246 -0.01093 0.02998 -0.01391 75 4YZ 0.01105 0.01023 -0.01698 0.02526 -0.00023 76 6 C 1S -0.00502 -0.01186 0.00829 0.02965 -0.00024 77 2S -0.20082 -0.01734 0.09104 -0.06372 -0.07713 78 2PX -0.09117 0.16174 -0.04703 0.14610 0.09132 79 2PY 0.06175 0.06589 0.03399 -0.06645 0.01221 80 2PZ 0.07174 0.23292 0.21256 0.05700 0.01415 81 3S 0.15854 0.26074 -0.28423 0.47617 0.00455 82 3PX -0.13909 0.40047 0.17391 -0.48636 -0.26596 83 3PY 0.28143 -0.06070 0.12588 -0.07338 0.07920 84 3PZ -0.06985 -0.04270 -0.02199 0.00556 0.03487 85 4XX -0.00680 -0.00036 0.02742 -0.00423 -0.00910 86 4YY -0.04483 -0.01932 0.01177 0.05835 -0.01383 87 4ZZ 0.00631 0.00576 -0.00571 -0.02590 0.00047 88 4XY 0.03889 0.00373 -0.00090 0.00397 0.00254 89 4XZ 0.00198 0.02613 0.00106 -0.01094 0.01488 90 4YZ 0.00279 0.00635 -0.01509 -0.02586 0.01471 91 7 C 1S -0.00565 0.01897 0.00067 -0.01620 0.00415 92 2S -0.12435 -0.08461 0.07730 0.07314 -0.08826 93 2PX 0.08545 0.04186 0.00558 0.05610 -0.03550 94 2PY -0.16713 0.01671 0.04553 0.11142 -0.01420 95 2PZ 0.04895 0.28723 0.30261 0.12639 -0.03624 96 3S -0.16149 -0.41874 -0.36728 0.73467 0.31338 97 3PX -0.70844 0.15687 -0.33749 0.48928 -0.04460 98 3PY -0.29171 -0.35377 -0.13075 0.26661 0.08186 99 3PZ 0.14143 -0.29923 -0.19870 -0.19458 -0.01918 100 4XX -0.05067 0.00256 -0.00575 0.02012 0.00271 101 4YY 0.01016 -0.00535 0.01560 -0.00488 -0.00985 102 4ZZ 0.00664 -0.00810 -0.00226 -0.00090 -0.00289 103 4XY -0.01871 -0.00811 0.00890 0.00238 -0.00508 104 4XZ 0.01177 -0.01005 -0.00238 -0.00270 -0.00542 105 4YZ 0.00464 0.01988 0.01036 0.00023 0.00654 106 8 C 1S -0.00582 -0.01138 -0.00197 0.00838 -0.01069 107 2S -0.03808 -0.01509 0.03198 -0.01031 -0.02999 108 2PX 0.33994 -0.02620 0.07295 0.00733 -0.06393 109 2PY -0.12441 0.06003 -0.01032 0.15861 -0.00410 110 2PZ 0.01960 0.20748 0.32870 0.25602 -0.16478 111 3S 1.15274 -0.07362 0.21894 -0.40456 0.07117 112 3PX -0.70058 -0.20034 -0.31776 0.65118 0.18640 113 3PY -0.29398 -0.00319 -0.23757 0.31477 -0.03369 114 3PZ 0.12224 -0.08404 -0.17906 -0.44360 0.16113 115 4XX 0.02618 -0.02253 0.01337 -0.00423 -0.02065 116 4YY -0.01847 0.00594 -0.00679 0.00191 0.00138 117 4ZZ -0.00836 0.00611 0.00074 0.00170 0.00508 118 4XY -0.01505 0.00317 -0.00760 0.01274 0.00319 119 4XZ -0.00353 0.00539 0.00201 0.00448 -0.00008 120 4YZ 0.00283 -0.00917 -0.01169 -0.01437 0.00759 121 9 C 1S 0.03937 0.00204 0.00593 -0.01576 0.00223 122 2S -0.06813 -0.02875 0.00922 0.01498 -0.02931 123 2PX -0.18546 0.11188 -0.01768 0.10446 0.05562 124 2PY 0.31700 -0.02514 0.08900 -0.11160 -0.06520 125 2PZ 0.00028 0.11788 0.21888 0.15747 -0.11478 126 3S 0.19982 -0.09659 0.02094 -0.04941 -0.22243 127 3PX 0.88861 -0.34661 0.13070 -0.15210 -0.05891 128 3PY -0.31811 0.32471 0.06809 -0.31468 0.11389 129 3PZ -0.11537 -0.07493 -0.16782 0.00209 0.04805 130 4XX 0.02513 -0.00194 0.00069 -0.01841 0.00062 131 4YY 0.00985 -0.00329 0.00110 -0.00042 -0.00436 132 4ZZ -0.01613 0.00138 0.00262 0.01056 -0.00229 133 4XY -0.03713 0.01365 -0.00690 0.00081 0.00912 134 4XZ -0.00620 -0.01028 -0.01467 -0.00857 0.00805 135 4YZ 0.00303 -0.00016 0.00081 0.00086 0.00093 136 10 C 1S -0.04335 0.00506 -0.00978 0.02160 0.00549 137 2S 0.07416 -0.02595 0.01998 -0.03312 -0.02374 138 2PX -0.07671 0.05068 0.01583 0.07009 -0.00555 139 2PY 0.09932 0.02336 0.05171 -0.01771 -0.02580 140 2PZ 0.02169 0.12935 0.23719 0.16885 -0.13099 141 3S -0.06940 0.19721 0.06387 -0.20636 0.09767 142 3PX -0.68090 0.10180 -0.14922 0.16259 0.04430 143 3PY -0.61309 0.40564 -0.05335 -0.18907 0.19571 144 3PZ 0.19189 -0.20817 -0.18689 -0.16289 0.08019 145 4XX -0.03575 0.01233 -0.00910 0.01094 0.00861 146 4YY -0.04537 0.00410 -0.00579 0.02080 0.00452 147 4ZZ 0.04037 -0.01103 0.00836 -0.01507 -0.00778 148 4XY 0.04257 -0.01203 0.00786 -0.01098 -0.00578 149 4XZ 0.00999 -0.00437 -0.00058 -0.00605 -0.00037 150 4YZ 0.00739 0.00036 0.00502 -0.00127 -0.00446 151 11 C 1S 0.00308 -0.00164 0.00112 -0.00175 -0.00137 152 2S -0.12730 0.03724 -0.02495 0.03807 0.02250 153 2PX 0.29074 -0.10209 0.07419 -0.08884 -0.07153 154 2PY -0.22983 0.08399 -0.03166 0.04789 0.04502 155 2PZ -0.01888 0.01103 0.02861 0.04399 -0.03492 156 3S 0.51252 -0.11032 0.07284 -0.11760 -0.03520 157 3PX -0.40207 0.08306 -0.12135 0.17400 0.07300 158 3PY 0.46930 -0.22253 0.05148 -0.04505 -0.11088 159 3PZ 0.00215 -0.00425 -0.07540 -0.10298 0.09195 160 4XX -0.01631 0.00542 -0.00320 0.00814 0.00197 161 4YY 0.02200 -0.00785 0.00605 -0.00252 -0.00689 162 4ZZ -0.01819 0.00565 -0.00571 -0.00138 0.00717 163 4XY -0.01542 0.00022 -0.00035 0.00987 -0.00162 164 4XZ 0.00170 0.00178 0.00516 0.00110 -0.00356 165 4YZ -0.00386 0.00628 0.00779 0.00648 -0.00500 166 12 H 1S 0.13001 -0.04166 0.02530 -0.03894 -0.02800 167 2S -0.05024 -0.01660 -0.00597 0.02790 -0.01670 168 13 H 1S -0.04373 -0.00802 -0.05369 -0.03899 0.04549 169 2S -0.06491 0.02863 -0.03402 -0.05320 0.04153 170 14 H 1S -0.04003 0.03499 0.04903 0.04272 -0.03106 171 2S -0.05950 0.06688 0.03638 -0.00233 -0.00340 172 15 O 1S 0.02556 -0.01041 0.00438 -0.00391 -0.00422 173 2S 0.00013 0.00088 -0.00311 0.00072 0.00137 174 2PX -0.07514 0.03519 -0.00537 0.02483 0.01628 175 2PY -0.00476 -0.02059 0.00899 0.01836 -0.01072 176 2PZ 0.01833 0.02687 0.04316 0.01975 -0.01899 177 3S -0.68585 0.26665 -0.09482 0.07451 0.09598 178 3PX -0.16177 0.08835 -0.02535 0.00115 0.03500 179 3PY -0.19461 0.05420 -0.04100 0.05864 0.01828 180 3PZ 0.05905 -0.02609 0.01173 -0.00504 -0.01254 181 4XX 0.00106 -0.00132 0.00404 0.00411 -0.00291 182 4YY 0.01826 -0.00203 0.00273 -0.00325 -0.00337 183 4ZZ 0.03305 -0.01477 -0.00114 -0.01095 -0.00173 184 4XY 0.00576 0.00020 0.00595 -0.00444 -0.00418 185 4XZ 0.00768 0.00683 0.01253 0.00704 -0.00543 186 4YZ 0.00237 0.00150 0.00682 0.00630 -0.00495 187 16 H 1S 0.01161 0.04265 0.00243 -0.04101 0.01536 188 2S -0.27764 0.00513 -0.09771 0.20000 0.00113 189 17 H 1S -0.05394 0.01646 -0.00408 0.00628 -0.00822 190 2S 0.16336 -0.10121 0.19517 -0.32453 -0.03952 191 18 H 1S 0.03821 -0.02214 0.04501 -0.05564 -0.02699 192 2S -0.41760 -0.11392 0.00830 0.10031 0.02980 193 19 C 1S -0.00044 0.00116 0.00051 -0.00849 0.00094 194 2S -0.08022 -0.04485 -0.02865 0.18652 -0.00804 195 2PX -0.30280 0.07721 0.14680 -0.10573 -0.05517 196 2PY 0.21939 0.15343 0.02664 -0.42451 0.03352 197 2PZ 0.05739 0.09243 0.20600 0.27828 -0.11642 198 3S 0.04425 0.10852 0.08188 -0.43639 -0.10972 199 3PX 0.42403 -0.37791 -0.18395 0.23946 0.08760 200 3PY 0.00476 -0.23690 0.00778 0.36861 -0.03313 201 3PZ -0.18376 -0.26802 -0.38760 -0.38585 0.19150 202 4XX -0.01470 0.00284 -0.00561 -0.01073 0.00279 203 4YY -0.02192 0.00085 0.00369 -0.00919 -0.00678 204 4ZZ 0.01847 -0.00971 -0.00470 0.03964 0.00170 205 4XY -0.03729 0.00422 -0.00275 -0.01727 0.00403 206 4XZ 0.00072 -0.02227 -0.02583 -0.01613 0.01662 207 4YZ 0.01313 -0.00406 -0.00025 0.01200 -0.00423 208 20 H 1S -0.17196 0.08368 -0.00110 -0.10604 0.01510 209 2S -0.17231 0.15542 -0.10510 0.19177 0.04670 210 21 H 1S 0.05004 -0.12603 -0.11763 -0.03510 0.05401 211 2S -0.10518 -0.23500 -0.04322 0.08823 0.03970 212 22 H 1S 0.13063 0.04621 0.08360 0.13574 -0.04987 213 2S -0.03246 0.02483 0.05467 0.05714 0.00811 214 23 H 1S 0.02163 0.09390 -0.05632 0.06614 0.06235 215 2S 0.02135 -0.01216 0.05913 0.06897 0.03680 216 24 H 1S -0.08896 0.02552 0.09437 -0.17524 0.01242 217 2S 0.04045 -0.00602 -0.03162 0.13015 -0.16223 218 25 H 1S -0.11354 -0.14456 0.12638 -0.13569 -0.11344 219 2S -0.06765 -0.04164 0.03801 -0.01149 0.10304 220 26 H 1S 0.04468 0.06426 -0.05246 0.00948 0.01491 221 2S 0.11347 0.18782 -0.31588 -0.17638 -0.43584 222 27 H 1S -0.07128 -0.09457 0.03855 -0.05769 -0.11050 223 2S -0.00793 0.27054 -0.18915 -0.17433 -0.13384 224 28 C 1S 0.00099 -0.00059 -0.00132 0.00043 -0.01125 225 2S 0.03818 0.12303 -0.01131 -0.01247 0.20669 226 2PX 0.02493 0.35389 -0.19240 -0.06638 0.03548 227 2PY -0.05890 -0.09555 -0.16502 0.00838 -0.60234 228 2PZ 0.08424 0.02716 -0.20285 0.24058 0.18660 229 3S -0.17936 -0.23406 0.02006 -0.02020 -0.38324 230 3PX -0.03049 -0.47665 0.18392 0.00235 -0.14767 231 3PY 0.21127 0.20669 0.06656 -0.08355 0.45353 232 3PZ -0.14857 -0.05865 0.43227 -0.38209 -0.16515 233 4XX -0.00267 -0.00535 0.00944 -0.00011 0.00996 234 4YY 0.00512 0.04793 -0.02845 -0.01546 -0.02729 235 4ZZ 0.00437 -0.01458 0.01125 0.01109 0.03544 236 4XY -0.00478 0.02546 -0.01626 -0.01525 -0.03002 237 4XZ -0.00381 -0.01111 0.03543 -0.02199 0.00713 238 4YZ -0.00259 -0.02311 0.02277 0.00297 0.02419 239 29 H 1S -0.01348 0.16158 -0.13530 -0.04635 -0.17341 240 2S -0.05882 -0.06574 0.23561 0.09902 0.43666 241 30 H 1S -0.03208 -0.13553 0.19927 -0.07488 0.05272 242 2S 0.00558 0.02876 0.02598 -0.07693 -0.05390 243 31 H 1S 0.01020 -0.11089 -0.03502 0.12600 0.08716 244 2S 0.01161 0.03013 -0.10202 0.01943 -0.02956 245 32 H 1S -0.02628 0.05959 -0.10338 -0.03280 -0.25665 246 2S -0.01182 -0.08463 0.17034 0.09308 0.33724 247 33 H 1S 0.02404 0.01601 0.01810 0.00922 0.16736 248 2S 0.02763 0.00000 -0.07930 0.01953 -0.04161 249 34 H 1S 0.05878 0.01697 0.05970 0.03526 0.13526 250 2S 0.00767 -0.00235 0.02405 -0.04750 -0.05806 96 97 98 99 100 V V V V V Eigenvalues -- 0.53821 0.54875 0.55937 0.56174 0.57561 1 1 C 1S 0.00344 0.00129 -0.00272 0.01793 0.00313 2 2S -0.06217 -0.02359 0.00880 -0.24044 -0.00920 3 2PX -0.15814 0.02098 0.08293 -0.51403 -0.05350 4 2PY -0.18176 0.00122 -0.10521 -0.30770 -0.02622 5 2PZ -0.22844 0.14478 -0.42546 0.25996 -0.04090 6 3S 0.07439 0.18595 0.24475 0.48067 -0.05216 7 3PX 0.28777 -0.14791 -0.27182 0.52908 0.06034 8 3PY 0.23857 0.16857 0.56658 0.67724 0.05409 9 3PZ 0.51539 -0.33795 0.75931 -0.49590 0.12607 10 4XX 0.00429 0.00334 0.02347 0.01188 -0.00842 11 4YY -0.01336 0.00389 -0.01706 -0.03311 0.00649 12 4ZZ 0.00219 -0.00591 -0.00352 0.00594 0.00466 13 4XY 0.00527 -0.00165 0.01528 0.00668 0.00075 14 4XZ 0.03538 -0.01985 0.04695 -0.01842 0.00544 15 4YZ -0.01382 0.00580 -0.02713 0.02119 -0.00759 16 2 C 1S -0.00094 -0.02372 -0.02638 -0.08030 -0.02993 17 2S -0.00093 -0.00056 0.08761 -0.10507 0.05483 18 2PX -0.05330 0.02363 0.07074 -0.01634 0.03474 19 2PY -0.08804 0.03336 -0.05479 -0.02991 0.01117 20 2PZ -0.31904 0.13544 -0.19502 0.06619 -0.14964 21 3S -0.36591 0.52986 0.99663 0.60544 -0.32112 22 3PX -0.31015 0.85839 1.43292 1.41401 -0.00798 23 3PY 0.15492 -0.15148 -0.35586 -0.17288 -0.13260 24 3PZ -0.00056 -0.04471 -0.11410 -0.04929 0.05383 25 4XX -0.01805 -0.01319 -0.01046 -0.10644 -0.02699 26 4YY -0.00731 -0.00954 0.01520 -0.06898 -0.03339 27 4ZZ 0.00894 0.00802 0.01117 0.05385 0.02247 28 4XY -0.03017 0.01499 0.01585 -0.02188 0.03087 29 4XZ -0.01474 0.00978 -0.00969 0.02649 0.00118 30 4YZ 0.00957 0.00452 -0.01983 0.04788 0.01861 31 3 C 1S -0.00857 0.02443 0.04196 0.03112 0.02373 32 2S -0.00314 -0.10627 -0.04526 -0.33918 0.00193 33 2PX -0.01569 0.08907 0.09799 0.42420 0.11329 34 2PY -0.04963 -0.02052 -0.10876 0.05492 -0.16741 35 2PZ -0.44371 0.18420 -0.16216 0.02106 -0.00163 36 3S 0.48021 -0.77654 -1.38360 -0.62159 -0.20666 37 3PX -0.24865 0.52786 1.11348 0.80697 -0.24394 38 3PY 0.16629 -0.26848 -0.16511 -0.36119 0.16579 39 3PZ 0.48131 -0.16183 0.36335 -0.08801 0.02248 40 4XX 0.02086 -0.01076 0.00665 0.01333 0.02140 41 4YY -0.02418 0.00322 0.00617 -0.04904 0.03053 42 4ZZ 0.00973 -0.00716 -0.00614 0.00175 -0.01540 43 4XY 0.02218 -0.00791 -0.00182 0.01749 -0.02268 44 4XZ 0.02163 -0.01067 0.00131 -0.00364 -0.00551 45 4YZ -0.00509 0.00312 -0.03461 0.02548 -0.02852 46 4 C 1S 0.01396 -0.01030 -0.00456 0.00894 -0.00617 47 2S 0.04850 -0.01709 0.02134 -0.00553 -0.07849 48 2PX -0.02260 0.01658 -0.05585 0.04960 -0.17459 49 2PY -0.01321 -0.05510 -0.09138 -0.00472 -0.09567 50 2PZ 0.03995 -0.00104 0.25994 0.00423 -0.16095 51 3S -0.45682 0.30256 0.23162 -0.21212 0.57309 52 3PX 0.10613 -0.21190 -0.21716 -0.01454 0.18810 53 3PY -0.10393 0.28738 0.50026 0.58329 -0.03198 54 3PZ -0.18387 -0.06204 -0.59737 -0.24351 0.38517 55 4XX 0.00743 -0.00370 -0.00268 -0.00153 0.01343 56 4YY 0.02222 -0.01119 -0.01784 0.01885 -0.01417 57 4ZZ -0.01617 0.01273 0.03125 -0.00801 -0.00864 58 4XY 0.00359 0.00846 0.02612 0.02920 -0.00895 59 4XZ -0.00836 0.00719 0.02853 -0.01309 0.03041 60 4YZ -0.00537 0.01003 0.01725 -0.00839 -0.00167 61 5 C 1S -0.01751 0.00302 -0.00805 -0.00994 -0.00357 62 2S 0.07767 -0.00040 -0.02142 0.01696 0.06871 63 2PX 0.24288 -0.01355 -0.07215 0.17166 -0.35723 64 2PY 0.24101 -0.09562 -0.19124 0.06256 0.05999 65 2PZ 0.05013 -0.11094 -0.24144 0.01779 -0.00810 66 3S 0.18384 0.00820 0.55997 0.04696 -0.63358 67 3PX -0.28314 0.07405 0.32061 -0.29801 0.52608 68 3PY -0.20902 0.03299 0.14127 -0.36427 -0.14511 69 3PZ -0.11900 0.14697 0.39773 0.02614 0.10087 70 4XX 0.01679 -0.00269 -0.00894 -0.02361 -0.00674 71 4YY -0.02059 0.01390 0.01587 0.01087 -0.00404 72 4ZZ 0.00630 -0.00725 0.00333 0.00461 0.01084 73 4XY -0.00296 0.00138 0.00455 -0.00974 -0.02244 74 4XZ -0.00453 0.02014 0.05194 0.01389 -0.03271 75 4YZ 0.01721 -0.01543 -0.02839 -0.01825 0.02417 76 6 C 1S 0.03567 -0.00214 0.00319 0.01804 -0.01031 77 2S -0.01376 0.03050 -0.04663 -0.04547 -0.27959 78 2PX 0.09575 0.02731 0.04421 0.09297 -0.02361 79 2PY 0.03048 0.03838 0.09887 0.06168 0.08269 80 2PZ 0.11993 0.20286 -0.12742 -0.01069 -0.00718 81 3S 0.20724 -0.14985 -0.65570 -0.10365 -0.31123 82 3PX -0.03607 -0.06733 -0.19409 -0.59058 -0.53749 83 3PY 0.14624 0.04297 0.31881 0.19416 -0.05602 84 3PZ -0.10261 -0.10273 -0.04613 0.04548 0.10244 85 4XX 0.01919 0.00691 -0.00334 0.02343 -0.04982 86 4YY 0.06261 -0.01244 -0.04311 0.00021 -0.05270 87 4ZZ -0.03102 0.00624 0.01356 -0.01519 0.02170 88 4XY 0.01465 -0.00839 -0.01699 0.00452 -0.00115 89 4XZ -0.01555 -0.00414 -0.00437 -0.00335 0.03116 90 4YZ -0.02126 -0.00460 0.00730 -0.00066 0.02299 91 7 C 1S -0.00734 0.00518 0.00997 0.00554 -0.02416 92 2S 0.10899 0.01769 -0.06140 0.01012 -0.43584 93 2PX -0.01149 -0.05413 -0.18850 -0.19302 0.09463 94 2PY 0.04454 0.00132 -0.04379 -0.02725 -0.03148 95 2PZ -0.02355 0.06380 -0.13734 -0.03122 0.10643 96 3S -0.05402 -0.10245 0.13639 0.15221 1.50559 97 3PX -0.08207 -0.10079 -0.41825 -0.38104 -0.13770 98 3PY -0.08489 0.01624 0.11981 0.15354 0.42022 99 3PZ 0.02328 0.02466 0.30018 0.09319 -0.18329 100 4XX 0.00216 0.00131 0.00074 0.00128 -0.03643 101 4YY 0.00820 0.00558 0.00064 0.01119 -0.06495 102 4ZZ 0.00027 -0.00042 -0.00218 -0.00538 0.01413 103 4XY 0.00609 0.00013 0.00094 0.00002 -0.00437 104 4XZ -0.00749 -0.00329 0.00095 -0.00610 0.01225 105 4YZ -0.00054 -0.00543 -0.01626 -0.00170 0.02353 106 8 C 1S -0.00006 -0.00546 -0.02523 -0.02285 -0.02093 107 2S 0.02765 0.02454 0.01044 0.02489 -0.36699 108 2PX -0.04596 0.02403 -0.05155 -0.06629 0.05923 109 2PY -0.00909 0.00362 -0.05856 -0.08050 0.14319 110 2PZ -0.12508 0.22557 0.08163 -0.10445 0.00828 111 3S 0.10724 0.02522 0.38869 0.25751 0.67800 112 3PX 0.09244 -0.17247 -0.04529 -0.08339 0.85470 113 3PY -0.02385 -0.13835 -0.39528 -0.28485 -0.08744 114 3PZ 0.10893 -0.25032 -0.06385 0.19766 -0.14052 115 4XX 0.00463 -0.00326 -0.01810 -0.01906 -0.06213 116 4YY 0.00504 -0.00250 -0.00766 -0.00336 -0.04212 117 4ZZ -0.00065 0.00538 0.01047 0.00834 0.01999 118 4XY 0.00541 -0.00686 -0.00690 -0.00661 0.02021 119 4XZ -0.01123 -0.00290 0.01604 0.00816 0.01271 120 4YZ 0.00350 -0.00317 0.00414 0.00876 0.00590 121 9 C 1S -0.00263 0.00386 0.01190 0.01157 -0.00180 122 2S 0.02380 -0.00579 -0.04064 -0.03248 -0.20552 123 2PX -0.03580 -0.04992 0.06551 0.04835 0.22651 124 2PY -0.07726 -0.01615 -0.02981 -0.01211 -0.18067 125 2PZ -0.21556 -0.24660 0.00551 -0.01406 0.04594 126 3S -0.05330 -0.02918 -0.39610 -0.28887 -0.53260 127 3PX 0.08166 0.04778 0.10000 0.03322 0.16345 128 3PY 0.00517 0.14393 0.30088 0.27450 -0.06219 129 3PZ 0.15528 0.24138 -0.04085 -0.06121 -0.08779 130 4XX 0.00020 0.00273 0.00321 0.00915 -0.03020 131 4YY 0.00318 0.00519 -0.01074 -0.00867 -0.02984 132 4ZZ -0.00295 -0.00683 0.00248 -0.00150 0.01211 133 4XY 0.00349 0.00518 0.00672 0.00627 -0.00156 134 4XZ 0.00973 -0.00493 -0.00857 -0.00039 0.01079 135 4YZ 0.00894 0.02308 -0.00313 -0.00704 0.01213 136 10 C 1S 0.00293 -0.00380 -0.00392 -0.00471 0.02209 137 2S -0.00261 0.00726 -0.01481 -0.00314 -0.16075 138 2PX -0.05958 -0.09058 0.00646 0.00654 0.07908 139 2PY -0.05931 -0.06156 0.01237 0.02250 -0.07575 140 2PZ -0.29196 -0.46976 0.07329 0.09398 -0.04707 141 3S 0.01451 0.05832 0.25056 0.21148 0.18075 142 3PX 0.04243 0.02889 -0.09574 -0.07011 -0.12230 143 3PY -0.04401 0.13904 0.28081 0.26951 0.04602 144 3PZ 0.23228 0.27848 -0.07322 -0.07132 0.02446 145 4XX 0.00316 0.00489 -0.00099 -0.00119 0.01036 146 4YY 0.00344 -0.00729 0.00216 0.00061 0.01339 147 4ZZ -0.00203 0.00051 -0.00148 0.00014 -0.02137 148 4XY -0.00383 0.00196 0.00038 0.00053 -0.00311 149 4XZ 0.00870 0.02049 -0.00306 -0.00583 -0.00317 150 4YZ -0.01017 -0.01798 0.00258 0.00395 -0.00804 151 11 C 1S -0.00016 0.00030 -0.00013 -0.00027 -0.00373 152 2S 0.00352 -0.00455 0.00129 0.00131 0.03732 153 2PX -0.02590 -0.04970 0.01441 0.01767 -0.12546 154 2PY -0.01211 -0.04990 0.06778 0.06535 0.03888 155 2PZ -0.14135 -0.34683 0.06854 0.10861 -0.08673 156 3S -0.01440 0.01202 0.02306 0.01766 0.03440 157 3PX 0.07344 0.09260 -0.09861 -0.10583 0.18858 158 3PY 0.05157 0.08554 -0.19229 -0.18710 -0.06397 159 3PZ 0.29953 0.75193 -0.12191 -0.20987 0.18886 160 4XX -0.00389 -0.01165 0.00092 0.00189 0.00514 161 4YY -0.00762 -0.01230 -0.00407 -0.00201 -0.00556 162 4ZZ 0.01136 0.02335 0.00269 -0.00055 0.00612 163 4XY -0.00163 -0.01563 0.00122 0.00183 -0.00153 164 4XZ -0.01383 -0.03004 0.00789 0.01127 -0.00835 165 4YZ -0.02039 -0.04452 0.01283 0.01697 -0.01181 166 12 H 1S -0.01305 0.00447 -0.02568 -0.02023 -0.03845 167 2S 0.01503 -0.01198 -0.04100 -0.03810 -0.02610 168 13 H 1S 0.12159 0.25260 -0.02973 -0.05592 0.04150 169 2S 0.05572 0.16270 0.01363 -0.00353 0.01515 170 14 H 1S -0.11203 -0.24727 0.06842 0.08920 -0.06554 171 2S -0.08196 -0.13241 0.06884 0.08266 -0.04954 172 15 O 1S 0.00178 -0.00039 -0.00140 -0.00154 -0.00300 173 2S 0.00043 -0.00335 -0.00253 -0.00483 0.02396 174 2PX -0.01971 -0.00322 0.00443 0.00977 0.02671 175 2PY 0.00531 -0.01232 -0.00416 -0.00693 0.01401 176 2PZ -0.03465 -0.04873 -0.00087 0.00507 -0.00376 177 3S -0.04806 0.02589 0.04840 0.06422 -0.06854 178 3PX -0.02113 0.01022 0.02374 0.02470 0.02388 179 3PY -0.00931 -0.00403 -0.01948 -0.01562 -0.00053 180 3PZ 0.00462 0.00999 0.00300 -0.00638 -0.00360 181 4XX -0.00088 -0.00488 -0.00123 -0.00224 0.00649 182 4YY -0.00384 -0.00857 -0.00143 -0.00089 -0.00059 183 4ZZ 0.00811 0.00932 -0.00357 -0.00524 0.00731 184 4XY -0.00432 -0.00558 0.00153 0.00253 -0.01385 185 4XZ -0.00951 -0.00979 -0.00069 -0.00058 0.00468 186 4YZ -0.01324 -0.02714 0.00574 0.00728 -0.00201 187 16 H 1S -0.00930 0.01455 0.03527 0.04377 -0.10138 188 2S 0.00884 -0.04738 -0.13338 -0.11265 0.03356 189 17 H 1S 0.01337 -0.00487 -0.03201 -0.01726 -0.15235 190 2S -0.00298 0.09240 0.22788 0.18746 -0.22707 191 18 H 1S -0.00530 0.03575 0.04534 0.05080 -0.22670 192 2S -0.02278 0.03578 0.05507 0.09511 0.00769 193 19 C 1S -0.01026 0.00265 0.00709 -0.00058 0.00758 194 2S 0.14253 -0.04166 -0.06932 -0.00131 -0.08551 195 2PX 0.01041 0.11013 0.09479 0.01760 -0.31144 196 2PY -0.33865 0.13036 0.25798 0.00717 0.07147 197 2PZ 0.00798 0.31869 0.06640 -0.07821 -0.03362 198 3S -0.22706 0.04222 -0.03179 -0.11306 -0.02262 199 3PX -0.05922 -0.15563 -0.15990 0.10680 0.55976 200 3PY 0.46640 -0.15361 -0.19879 0.13561 -0.14451 201 3PZ -0.08795 -0.57514 -0.08715 0.11044 0.07651 202 4XX 0.00040 -0.00863 0.00544 0.00139 -0.01697 203 4YY 0.00099 0.00163 0.00854 -0.00220 -0.01182 204 4ZZ 0.01073 0.00099 -0.01778 -0.00484 0.02154 205 4XY -0.01943 0.00372 0.02000 0.00271 -0.00513 206 4XZ -0.00064 -0.04278 -0.01797 0.01135 0.01850 207 4YZ 0.00618 -0.00126 -0.00588 -0.00198 0.00392 208 20 H 1S -0.09282 0.04522 0.11941 -0.00073 -0.05138 209 2S 0.06839 -0.05594 -0.07907 -0.11067 0.03880 210 21 H 1S -0.02968 -0.16554 -0.07614 0.02490 0.09694 211 2S -0.10585 -0.05861 0.04308 0.05034 0.10586 212 22 H 1S 0.03614 0.12850 -0.02243 -0.04091 0.02239 213 2S 0.00069 0.08412 -0.01649 0.00644 0.06955 214 23 H 1S 0.03683 -0.07660 -0.20438 -0.07675 0.12257 215 2S -0.08525 0.11918 0.04889 0.02439 -0.01037 216 24 H 1S -0.10649 0.06666 0.07279 0.06777 -0.05081 217 2S 0.04944 -0.09299 -0.32586 -0.25662 -0.00674 218 25 H 1S -0.00944 -0.00208 -0.00538 -0.04478 -0.07065 219 2S 0.02825 0.00555 0.04266 0.08713 0.02703 220 26 H 1S 0.08249 -0.11352 -0.19582 -0.06700 0.03913 221 2S 0.21075 -0.31761 -0.43426 -0.42677 -0.02073 222 27 H 1S -0.10610 0.04814 0.12802 -0.18294 0.15725 223 2S 0.07981 -0.15604 -0.16601 -0.21174 -0.03956 224 28 C 1S -0.00092 0.00393 0.00183 0.01196 0.01264 225 2S 0.04416 -0.07958 -0.06359 -0.12854 -0.14562 226 2PX 0.06603 -0.07076 0.02662 -0.20783 -0.27016 227 2PY -0.03826 0.09569 0.05177 0.19706 0.21978 228 2PZ -0.12925 0.01465 0.15470 -0.08855 -0.14720 229 3S -0.11953 0.23770 0.38095 0.28939 0.16824 230 3PX -0.02183 -0.10087 -0.33101 -0.01350 0.40618 231 3PY 0.22906 -0.33422 -0.43380 -0.55180 -0.32935 232 3PZ 0.28787 -0.01095 -0.06144 0.21503 0.30514 233 4XX -0.00225 0.00563 0.01384 -0.00048 -0.00144 234 4YY 0.01684 -0.00893 -0.00967 0.00058 -0.01332 235 4ZZ -0.00418 -0.00539 -0.01068 0.00049 -0.00031 236 4XY 0.01377 -0.00837 -0.01927 0.00107 -0.00760 237 4XZ 0.01774 -0.00569 -0.01905 0.00616 0.02034 238 4YZ -0.00334 0.00107 0.00407 0.00036 0.01157 239 29 H 1S 0.03347 -0.00036 -0.00136 0.04907 -0.01767 240 2S -0.13441 0.20195 0.34802 0.29076 0.06465 241 30 H 1S 0.06657 -0.02564 -0.05300 0.02449 0.13138 242 2S 0.12646 -0.10316 -0.07553 -0.06023 0.09128 243 31 H 1S -0.12856 0.04338 0.05860 -0.00603 0.00543 244 2S -0.07459 -0.02742 -0.17248 -0.04083 -0.01367 245 32 H 1S 0.00707 0.00995 -0.00534 -0.04317 0.03114 246 2S -0.06229 0.14498 0.27875 0.26047 -0.00228 247 33 H 1S -0.13743 0.06968 -0.22446 0.15542 -0.03758 248 2S -0.08444 -0.00590 -0.24277 -0.01409 -0.03315 249 34 H 1S 0.18299 -0.09211 0.18772 0.03056 0.02475 250 2S 0.13399 -0.11029 0.00663 -0.09041 0.07425 101 102 103 104 105 V V V V V Eigenvalues -- 0.58470 0.58955 0.59473 0.59875 0.61230 1 1 C 1S -0.00418 -0.00103 -0.00083 -0.00110 0.00410 2 2S 0.02660 0.01063 0.00265 0.01826 -0.04902 3 2PX 0.18106 0.02505 0.01893 0.00548 -0.08460 4 2PY 0.10237 0.01642 0.01164 0.00646 -0.07325 5 2PZ 0.26670 0.00476 0.03088 -0.09344 0.03268 6 3S 0.13552 -0.02681 -0.00199 -0.09147 0.14651 7 3PX -0.28746 -0.00009 0.01810 0.02078 0.03301 8 3PY -0.07915 -0.10135 -0.09889 -0.05283 0.24961 9 3PZ -0.53998 0.00087 -0.05652 0.16839 -0.06267 10 4XX 0.00239 -0.00236 -0.00159 -0.00442 0.01396 11 4YY 0.01252 0.00412 0.00356 0.00332 -0.01847 12 4ZZ -0.01265 -0.00163 -0.00293 0.00197 0.00192 13 4XY -0.01042 -0.00102 -0.00173 0.00076 0.00652 14 4XZ -0.04291 -0.00016 -0.00263 0.01476 -0.00677 15 4YZ 0.00889 -0.00053 0.00158 -0.00411 0.00433 16 2 C 1S 0.01259 0.01471 0.02131 0.00219 -0.02045 17 2S 0.07224 -0.03786 -0.06790 -0.01676 0.06734 18 2PX -0.01643 -0.04232 -0.06984 0.01751 0.03025 19 2PY -0.02537 -0.01116 -0.02446 0.04539 -0.03406 20 2PZ -0.08890 -0.00118 0.01245 0.10143 -0.02411 21 3S 0.16612 -0.09095 -0.03112 -0.12587 0.29156 22 3PX 0.29726 -0.27089 -0.27877 -0.23825 0.66359 23 3PY 0.06241 0.13081 0.19508 -0.01697 -0.18903 24 3PZ 0.02321 0.01483 0.01126 -0.01961 -0.04697 25 4XX 0.02412 0.01604 0.02107 0.00164 -0.02621 26 4YY 0.04039 0.00263 0.00665 -0.01072 0.01128 27 4ZZ -0.02199 -0.00971 -0.01463 0.00316 0.01287 28 4XY 0.00210 -0.00690 -0.01747 0.00313 -0.00091 29 4XZ 0.00109 -0.00304 -0.00322 -0.00362 0.01042 30 4YZ -0.00167 -0.00256 -0.00353 -0.00467 0.00170 31 3 C 1S 0.00493 -0.01275 -0.02149 0.00036 0.00748 32 2S 0.04684 0.00903 -0.01110 -0.00947 0.02377 33 2PX -0.06566 -0.08395 -0.11834 -0.04148 0.20808 34 2PY 0.03314 0.05309 0.08213 -0.06111 0.06655 35 2PZ 0.00353 -0.01037 -0.02043 0.02053 -0.02279 36 3S -0.26826 0.23235 0.33888 0.14476 -0.46079 37 3PX 0.16909 -0.17567 -0.13258 -0.14234 0.43293 38 3PY -0.16004 -0.06054 -0.09711 0.10174 -0.02610 39 3PZ 0.01700 0.01358 0.01447 -0.03924 0.02235 40 4XX -0.00311 -0.01228 -0.02066 -0.00050 0.01514 41 4YY 0.00940 -0.00759 -0.02071 0.00555 -0.00289 42 4ZZ -0.00608 0.00616 0.01284 -0.00199 -0.00084 43 4XY 0.00978 0.00314 0.00935 -0.00499 0.00292 44 4XZ -0.00062 0.00737 0.01177 -0.00405 -0.01178 45 4YZ 0.00259 0.00949 0.02026 -0.00317 -0.00681 46 4 C 1S 0.01932 -0.00000 0.00371 -0.01710 0.02058 47 2S -0.10787 0.02908 0.02396 0.06460 -0.07405 48 2PX -0.07923 0.08848 0.14469 0.00564 -0.05860 49 2PY -0.20332 0.05381 0.08218 0.03591 -0.06932 50 2PZ -0.01802 0.05039 0.07676 -0.03955 -0.06392 51 3S 0.37572 -0.07342 -0.24715 -0.16737 0.04327 52 3PX 0.06654 -0.12490 -0.16843 -0.06916 0.20142 53 3PY 0.30171 -0.12101 -0.16149 -0.14262 0.29225 54 3PZ 0.07419 0.00416 -0.08664 0.03089 -0.02776 55 4XX 0.00763 0.00039 -0.00501 -0.00593 0.00124 56 4YY -0.02275 0.00907 0.01182 0.00890 -0.01439 57 4ZZ 0.02740 -0.00298 -0.00344 -0.01576 0.02109 58 4XY 0.01769 -0.00405 -0.00656 -0.01535 0.02884 59 4XZ 0.03999 -0.00505 -0.01282 -0.02488 0.01362 60 4YZ 0.00828 -0.00407 -0.00117 0.00255 0.00195 61 5 C 1S -0.02106 0.00175 -0.00223 0.01284 -0.00714 62 2S 0.23286 -0.00886 0.00598 -0.12760 -0.03600 63 2PX -0.02674 0.11441 0.22725 0.06484 -0.24538 64 2PY 0.08479 0.02463 0.05626 -0.03223 -0.13136 65 2PZ -0.43227 0.01253 0.02295 0.22379 -0.18396 66 3S -0.48133 0.03058 0.06884 0.31065 0.48743 67 3PX 0.07988 -0.00269 -0.28603 -0.05292 0.27152 68 3PY -0.35845 -0.25913 -0.16344 0.25997 0.49570 69 3PZ 0.78976 -0.01684 -0.05971 -0.48956 0.31347 70 4XX 0.00163 -0.01698 -0.01763 0.01390 0.02829 71 4YY -0.00128 0.01917 0.01480 0.00159 -0.03383 72 4ZZ 0.01607 -0.00117 0.00328 -0.02267 -0.00256 73 4XY -0.00152 0.01187 0.01278 0.00150 -0.00952 74 4XZ 0.00875 0.01486 0.01946 -0.00672 -0.01851 75 4YZ -0.00816 -0.00772 -0.01012 0.00628 -0.00656 76 6 C 1S 0.02443 0.04225 0.01592 -0.00405 -0.01984 77 2S -0.12986 -0.07881 0.03284 0.02862 -0.05973 78 2PX 0.09092 -0.17639 -0.03033 -0.09816 -0.00786 79 2PY 0.06288 0.00314 -0.00079 -0.00872 -0.11449 80 2PZ 0.04010 -0.04189 -0.18990 0.28634 -0.03254 81 3S 0.07607 -0.49681 -0.22408 0.15323 1.10297 82 3PX -0.70049 -0.82389 -0.42605 0.68649 1.42315 83 3PY 0.16625 0.75757 0.18876 -0.05368 -0.22781 84 3PZ -0.08693 0.08318 0.17261 -0.15705 -0.31349 85 4XX 0.01074 0.04680 0.03757 -0.00057 -0.04728 86 4YY 0.01069 0.00996 -0.00305 0.01256 0.03883 87 4ZZ -0.01537 -0.02640 -0.01193 0.00307 -0.00113 88 4XY 0.00780 -0.03872 0.00221 -0.00894 -0.00387 89 4XZ -0.01209 -0.01706 -0.01720 -0.00210 0.01780 90 4YZ -0.00922 -0.00195 -0.00448 -0.00525 -0.00170 91 7 C 1S -0.00311 -0.03047 0.01000 0.00039 0.01919 92 2S -0.06966 -0.13589 -0.12000 -0.13115 0.04298 93 2PX -0.18298 -0.45129 -0.32498 -0.01580 0.26553 94 2PY -0.05804 0.10170 -0.10085 -0.01568 0.04179 95 2PZ -0.26393 0.07984 0.11616 0.08202 -0.26371 96 3S 0.53793 0.84238 0.31372 -0.35649 -1.37024 97 3PX -0.18673 -0.60440 -0.06741 0.22062 0.61030 98 3PY 0.29502 0.06130 0.16574 -0.36791 -0.86418 99 3PZ 0.37156 0.09091 -0.03057 -0.14697 0.33463 100 4XX -0.01139 -0.05118 -0.00593 -0.02662 0.00997 101 4YY -0.00667 -0.02695 0.01590 -0.01303 -0.00272 102 4ZZ 0.00577 0.01190 -0.01512 0.00734 -0.00193 103 4XY -0.00062 0.00945 0.00694 0.01000 0.01828 104 4XZ -0.00878 0.01839 0.01137 -0.00834 -0.00733 105 4YZ -0.01851 0.00462 -0.00404 0.00370 -0.00914 106 8 C 1S -0.02254 -0.00875 -0.03699 0.00846 0.06273 107 2S -0.06515 -0.35852 -0.20146 -0.28970 -0.09237 108 2PX -0.03610 -0.01156 -0.08410 -0.15896 -0.26619 109 2PY -0.02564 0.10139 -0.05335 0.02919 0.15909 110 2PZ -0.02631 0.01277 0.18113 -0.24312 0.16986 111 3S 0.26999 0.82705 -0.02590 -0.13026 -0.79968 112 3PX 0.14450 -0.20074 -0.32178 -0.32779 -0.63149 113 3PY -0.16626 -0.74128 0.02044 0.24421 0.45389 114 3PZ -0.08485 0.12273 -0.07807 0.29289 -0.15387 115 4XX -0.02679 -0.02881 -0.06922 -0.02390 0.07347 116 4YY -0.01779 -0.03968 -0.05118 -0.03413 0.01116 117 4ZZ 0.01182 0.00263 0.03602 0.00924 -0.03413 118 4XY 0.00156 -0.03853 -0.01822 -0.01065 -0.01164 119 4XZ 0.01660 0.01285 0.03190 -0.00741 -0.00550 120 4YZ 0.01104 0.01304 0.01145 0.02195 -0.01144 121 9 C 1S 0.00533 0.00793 -0.00163 -0.02538 -0.05690 122 2S -0.07802 -0.33324 -0.26048 -0.25511 -0.12356 123 2PX 0.05358 -0.02969 0.15507 -0.13000 -0.28560 124 2PY -0.12379 0.34622 -0.15024 -0.08843 0.21683 125 2PZ -0.19508 -0.01119 0.27538 -0.39884 0.23021 126 3S -0.29647 -0.13234 -0.14846 0.39244 1.07199 127 3PX 0.05875 0.47965 -0.56174 -0.31466 -0.48531 128 3PY 0.24067 0.20851 0.87334 0.64455 0.29220 129 3PZ 0.19087 -0.15056 -0.31012 0.38574 -0.16145 130 4XX -0.00489 -0.02901 -0.01813 -0.04462 -0.07901 131 4YY -0.01697 -0.05019 -0.06011 -0.05886 -0.04471 132 4ZZ 0.00713 0.00144 0.02023 0.02428 0.04012 133 4XY -0.00330 0.04311 -0.01725 -0.00771 0.00563 134 4XZ -0.00267 -0.00064 0.00643 0.02912 0.01409 135 4YZ -0.00099 0.00174 0.02017 0.01559 0.01212 136 10 C 1S 0.00191 -0.00241 -0.01231 -0.00843 -0.01684 137 2S -0.04647 -0.19486 -0.15000 -0.18635 -0.12866 138 2PX 0.04135 0.03318 0.22924 0.21825 0.15375 139 2PY -0.01255 -0.05298 -0.10808 -0.14586 -0.20674 140 2PZ 0.05164 -0.00344 -0.04657 0.00075 0.00426 141 3S 0.13704 0.71287 0.13053 0.11302 -0.01031 142 3PX -0.04742 -0.50525 -0.08470 -0.12695 -0.06849 143 3PY 0.22805 0.41194 1.17340 0.79115 0.49611 144 3PZ -0.01250 0.02452 -0.19735 -0.04580 -0.06964 145 4XX -0.01015 0.05268 -0.07628 -0.05834 -0.04866 146 4YY 0.00904 -0.06136 0.00820 -0.01541 -0.03876 147 4ZZ -0.00282 -0.00853 0.00889 0.01331 0.02278 148 4XY 0.00284 0.00909 0.02710 0.01933 0.01000 149 4XZ -0.00467 -0.01347 0.01874 0.00600 0.01546 150 4YZ 0.00026 0.00744 -0.00360 -0.00118 0.01358 151 11 C 1S 0.00085 -0.00985 0.01431 0.01087 0.01156 152 2S -0.00893 0.09405 -0.12544 -0.08230 -0.05794 153 2PX 0.08849 -0.42703 0.45373 0.37756 0.23727 154 2PY 0.09143 -0.16028 0.11211 0.02167 -0.19916 155 2PZ 0.20808 0.06990 -0.32129 0.23915 -0.11763 156 3S 0.01997 0.19728 0.10191 0.09582 0.01416 157 3PX -0.20115 0.57247 -0.84538 -0.66005 -0.31456 158 3PY -0.23598 0.31016 -0.51390 -0.19785 0.36576 159 3PZ -0.41487 -0.08649 0.67826 -0.46828 0.19760 160 4XX 0.00458 0.00178 -0.00624 0.00493 -0.00263 161 4YY -0.00118 0.05355 -0.03430 0.01685 0.03652 162 4ZZ -0.00411 -0.03852 0.03521 -0.01909 -0.02405 163 4XY 0.00852 -0.05034 -0.01384 -0.00798 -0.02623 164 4XZ 0.01540 -0.00327 -0.00480 0.01763 -0.00683 165 4YZ 0.03014 -0.01136 -0.01463 0.03614 -0.01980 166 12 H 1S -0.03265 0.19757 -0.04116 0.08180 0.21670 167 2S -0.03470 -0.09428 -0.12421 -0.04661 0.05874 168 13 H 1S -0.08662 -0.17134 0.21531 -0.11636 -0.02779 169 2S -0.03270 -0.02746 0.30273 0.04510 0.08702 170 14 H 1S 0.13999 -0.19949 0.02104 0.14209 -0.10217 171 2S 0.11138 -0.04626 0.17256 0.22037 0.03520 172 15 O 1S -0.00266 -0.00020 -0.01867 -0.01201 -0.00438 173 2S 0.00048 0.02046 0.00599 0.02473 0.03332 174 2PX -0.00305 0.20083 -0.02878 0.00648 0.00201 175 2PY 0.01491 -0.16540 0.05834 0.00832 -0.04696 176 2PZ -0.01529 -0.00969 0.00000 -0.00063 -0.00487 177 3S 0.06349 -0.16808 0.54235 0.29317 0.14845 178 3PX 0.02479 0.03999 0.19500 0.13616 0.08877 179 3PY 0.00174 -0.09432 0.11072 0.06653 0.04261 180 3PZ -0.00616 0.00821 -0.04012 -0.05570 -0.00855 181 4XX 0.00027 -0.01855 0.02253 0.01800 0.02683 182 4YY -0.00371 0.02170 -0.03421 -0.00965 0.00421 183 4ZZ -0.00230 0.01045 -0.00786 0.00511 0.01429 184 4XY -0.00205 -0.00551 -0.00377 -0.00011 0.01449 185 4XZ -0.00791 0.00798 0.00153 -0.01245 -0.00262 186 4YZ 0.01294 -0.00232 -0.00450 0.01522 -0.00454 187 16 H 1S -0.02158 0.02730 -0.13455 -0.21003 -0.25940 188 2S -0.03206 -0.51705 0.02362 0.00054 0.01185 189 17 H 1S -0.07883 -0.01151 -0.21561 -0.12805 0.06752 190 2S 0.04116 0.44476 -0.03177 -0.13156 -0.20254 191 18 H 1S 0.00436 -0.09101 0.09575 -0.04137 -0.04030 192 2S 0.07636 -0.05663 -0.00361 -0.19836 -0.33535 193 19 C 1S -0.00661 -0.00718 0.00410 0.00042 -0.01298 194 2S 0.06125 0.07903 -0.05729 -0.05252 0.08891 195 2PX -0.08403 0.04365 -0.09755 0.10064 0.19030 196 2PY -0.09114 -0.05799 0.04942 -0.01207 -0.23554 197 2PZ 0.18951 0.00493 -0.11812 0.19697 -0.09457 198 3S -0.17778 -0.36020 -0.01550 0.17907 0.11050 199 3PX 0.19162 0.25698 0.24894 -0.33856 -0.73211 200 3PY 0.24944 0.48563 0.05737 -0.03632 0.25286 201 3PZ -0.45713 -0.09508 0.23954 -0.40056 0.26150 202 4XX -0.01577 -0.00580 0.00676 -0.00013 0.01965 203 4YY -0.00295 0.00433 -0.00741 -0.00116 0.00594 204 4ZZ 0.01907 0.00184 -0.01082 -0.00807 -0.01855 205 4XY -0.01479 0.02124 0.00167 -0.00357 -0.00238 206 4XZ -0.02789 -0.00130 0.01765 -0.03289 0.00516 207 4YZ 0.01211 -0.00544 -0.00145 -0.00113 0.00057 208 20 H 1S -0.06822 -0.02780 0.00131 0.01286 0.01288 209 2S -0.07025 -0.40983 -0.12911 0.04062 0.25748 210 21 H 1S -0.11990 -0.01943 0.09035 -0.13977 -0.05594 211 2S -0.08204 0.09470 0.10237 -0.16370 -0.18945 212 22 H 1S 0.13708 -0.04614 -0.07374 0.08637 -0.10177 213 2S 0.05796 0.06401 -0.03253 0.03016 -0.23833 214 23 H 1S -0.09644 -0.05894 -0.08603 0.07314 0.01580 215 2S -0.03510 0.14633 0.05252 0.08577 -0.27477 216 24 H 1S -0.07920 0.04605 0.04116 0.04284 -0.07342 217 2S -0.21803 -0.20424 -0.08623 0.19462 0.15593 218 25 H 1S 0.00057 0.00866 0.03591 0.01120 0.00383 219 2S 0.11984 0.04040 0.01451 -0.08505 0.03214 220 26 H 1S -0.01263 0.03806 0.04583 -0.01695 -0.05475 221 2S 0.05604 0.06941 0.12053 -0.02474 -0.03221 222 27 H 1S 0.03036 -0.04526 -0.10921 0.02418 0.00773 223 2S -0.02262 0.02203 0.02482 0.01956 -0.01516 224 28 C 1S -0.00632 -0.00332 -0.00671 0.00221 -0.00004 225 2S 0.04565 0.03651 0.07061 -0.02179 0.00839 226 2PX 0.14338 0.04862 0.10709 -0.05156 0.06262 227 2PY -0.16279 -0.04759 -0.09775 0.07440 -0.02767 228 2PZ -0.33079 0.00547 0.00753 0.17659 -0.06393 229 3S 0.07417 -0.10935 -0.14995 -0.03412 0.17091 230 3PX -0.24706 -0.02259 -0.10815 0.09964 -0.19016 231 3PY 0.28444 0.16222 0.27379 -0.10970 -0.13528 232 3PZ 0.65551 -0.03903 -0.05536 -0.39040 0.20890 233 4XX 0.01522 -0.00279 -0.00294 -0.00695 0.01075 234 4YY 0.00884 0.00423 0.00837 -0.00530 0.00323 235 4ZZ -0.02107 0.00025 -0.00044 0.00856 -0.00577 236 4XY 0.01130 0.00690 0.01068 -0.00861 -0.00336 237 4XZ 0.05176 -0.00032 -0.00042 -0.02997 0.00971 238 4YZ -0.00056 -0.00293 -0.00576 -0.00124 0.00212 239 29 H 1S -0.00498 0.00451 0.00528 -0.00668 0.01291 240 2S -0.02430 -0.09303 -0.13687 -0.00812 0.14032 241 30 H 1S 0.14919 -0.01066 -0.02613 -0.09837 0.02848 242 2S 0.01547 0.01096 -0.00163 -0.03528 -0.02150 243 31 H 1S -0.21870 -0.02237 -0.04503 0.12280 -0.03316 244 2S -0.13880 0.01720 0.01083 0.08390 -0.08758 245 32 H 1S 0.01334 0.00150 -0.00003 0.01170 -0.04099 246 2S 0.04465 -0.07183 -0.07438 -0.04409 0.16120 247 33 H 1S 0.10984 -0.00651 0.00665 -0.04097 0.03865 248 2S -0.00985 0.02226 0.03628 0.02907 -0.06790 249 34 H 1S -0.17188 -0.00940 -0.01594 0.03154 0.02136 250 2S -0.08922 0.00993 0.00010 0.01402 -0.03114 106 107 108 109 110 V V V V V Eigenvalues -- 0.63765 0.63936 0.64818 0.65720 0.67278 1 1 C 1S -0.00925 0.00370 0.00073 0.00098 -0.00001 2 2S -0.01169 -0.12048 -0.04169 -0.08128 0.00912 3 2PX 0.35773 0.07689 0.04276 0.10537 -0.03017 4 2PY 0.02668 -0.15251 -0.05211 -0.09461 0.00001 5 2PZ 0.08992 -0.01847 -0.00606 -0.07251 0.00776 6 3S 0.64610 0.80993 0.30885 0.65128 -0.11788 7 3PX -0.80146 -0.32413 -0.17010 -0.30585 0.05955 8 3PY 0.39524 0.63993 0.24577 0.46947 -0.03703 9 3PZ -0.35091 -0.04107 -0.02912 0.16015 0.01312 10 4XX 0.04146 0.05080 0.02265 0.03810 -0.00709 11 4YY 0.00138 -0.02273 -0.01114 -0.01364 0.00031 12 4ZZ -0.04057 -0.03023 -0.01172 -0.02509 0.00569 13 4XY 0.00371 0.02361 0.01031 0.01841 -0.00401 14 4XZ -0.02977 -0.00474 -0.00351 0.00200 -0.00132 15 4YZ -0.00158 -0.00921 -0.00232 -0.01611 0.00194 16 2 C 1S -0.00667 0.00901 -0.00301 0.00661 0.00148 17 2S 0.13163 -0.12051 0.00997 -0.08174 -0.03880 18 2PX -0.11607 -0.33946 -0.09794 -0.30352 0.02964 19 2PY 0.15116 -0.11285 -0.00345 -0.08838 -0.01891 20 2PZ 0.20189 0.02062 0.05130 -0.18849 -0.01551 21 3S -0.05546 0.39355 0.00410 -0.03414 0.24715 22 3PX 1.53914 1.67067 0.68791 1.15568 -0.09276 23 3PY -0.39837 0.15445 -0.06913 0.16545 -0.05171 24 3PZ -0.22289 -0.10542 -0.05386 0.00295 -0.02935 25 4XX -0.03132 -0.01183 -0.01553 -0.00470 0.00446 26 4YY 0.06508 0.04069 0.02005 0.02387 -0.00559 27 4ZZ 0.00082 -0.00655 0.00423 -0.00667 -0.00260 28 4XY 0.02943 -0.01853 0.00237 0.00671 -0.00564 29 4XZ -0.02064 0.00706 0.00072 0.01265 0.00405 30 4YZ -0.01876 -0.01829 -0.00759 -0.01063 0.00229 31 3 C 1S 0.03372 -0.03144 -0.00518 -0.01727 -0.00298 32 2S -0.08067 -0.10106 -0.01040 -0.00827 -0.07244 33 2PX 0.20645 0.20927 0.15276 0.18858 -0.06336 34 2PY -0.20731 0.14694 0.02800 0.13653 0.01080 35 2PZ -0.21664 -0.00293 -0.05374 0.24358 0.04436 36 3S -1.01317 -1.24139 -0.50137 -1.14005 0.28616 37 3PX 0.02075 0.00862 -0.05983 -0.47708 0.35610 38 3PY 0.02620 -0.57022 -0.08894 -0.58494 0.07802 39 3PZ 0.30677 0.03219 0.02585 -0.11007 0.00131 40 4XX 0.00072 -0.07784 -0.01666 -0.06039 -0.00079 41 4YY 0.04308 -0.04393 -0.00262 -0.00587 -0.01815 42 4ZZ -0.02572 0.03774 0.00617 0.02220 0.00349 43 4XY 0.02906 0.01093 0.00205 0.00044 0.00330 44 4XZ -0.00197 0.00729 -0.00400 0.00968 0.00129 45 4YZ -0.01759 0.02933 0.00234 0.00401 0.00287 46 4 C 1S -0.01801 0.01162 0.00635 -0.00204 -0.00321 47 2S 0.11555 -0.16087 -0.05874 -0.09103 0.03908 48 2PX -0.05617 0.32766 0.04219 0.23043 0.07137 49 2PY -0.38618 0.10621 -0.01399 0.11438 -0.01516 50 2PZ 0.23101 -0.16014 -0.12015 0.05748 0.07301 51 3S 0.11810 0.20350 0.17198 0.80826 -0.32984 52 3PX -0.06525 -0.62915 -0.01281 -0.57580 -0.05433 53 3PY 0.58741 -0.32159 -0.02864 -0.49144 0.19883 54 3PZ -0.45531 0.23040 0.23277 0.17063 -0.40542 55 4XX 0.02794 0.00308 0.00789 0.03287 -0.02231 56 4YY -0.02537 -0.00090 -0.00523 -0.00647 -0.00387 57 4ZZ 0.00342 -0.01702 -0.00213 -0.01704 0.01883 58 4XY 0.01852 0.00809 0.00750 0.01295 0.00015 59 4XZ -0.03269 -0.03063 -0.00953 0.01707 0.01003 60 4YZ 0.01037 0.00785 -0.00019 -0.01619 -0.00147 61 5 C 1S 0.01098 -0.00171 0.00339 0.01238 -0.00341 62 2S -0.02626 -0.10273 -0.05486 0.00605 -0.06803 63 2PX 0.16415 0.01152 -0.09316 -0.27026 -0.01130 64 2PY 0.16979 -0.07896 -0.08751 0.03218 -0.03700 65 2PZ 0.09397 0.15173 0.01508 0.06667 -0.00608 66 3S -0.12921 0.41020 0.16174 -0.58697 0.59563 67 3PX -0.41890 -0.11144 0.11370 0.40161 -0.03866 68 3PY -0.42856 0.36263 0.18975 -0.27430 0.14246 69 3PZ -0.00834 -0.42555 0.02038 -0.14606 -0.15800 70 4XX 0.00345 0.01624 0.01297 -0.04603 0.01671 71 4YY -0.01303 -0.01721 -0.00831 0.00809 -0.01523 72 4ZZ 0.00860 -0.01351 -0.01239 0.03447 0.00033 73 4XY -0.01228 -0.01164 0.00015 -0.00939 0.00895 74 4XZ 0.01024 -0.00700 -0.01861 0.01417 0.01755 75 4YZ -0.00346 0.00298 -0.00281 0.01939 -0.00186 76 6 C 1S 0.00682 -0.02268 0.02281 -0.02163 -0.00026 77 2S -0.06405 0.00071 -0.26235 0.13194 -0.07999 78 2PX 0.08013 -0.13323 -0.31812 0.15935 -0.08551 79 2PY 0.07564 0.06987 -0.05212 -0.05027 -0.02599 80 2PZ 0.21130 -0.04773 0.07812 -0.11756 -0.11956 81 3S 0.38324 -0.35605 0.58030 -0.28828 0.16292 82 3PX -0.33514 0.63567 0.55913 -1.14516 0.67770 83 3PY -0.18856 -0.46982 0.14511 0.19610 0.08100 84 3PZ -0.26003 0.09820 -0.18338 0.36345 0.34782 85 4XX 0.01708 -0.04702 0.00566 -0.00439 -0.01510 86 4YY 0.00759 -0.00226 0.01426 -0.04012 0.00362 87 4ZZ -0.01818 0.02496 -0.01868 0.01705 0.00291 88 4XY 0.01406 0.01777 -0.03591 -0.02918 0.00178 89 4XZ 0.01920 -0.00785 -0.00207 0.00637 0.00585 90 4YZ -0.00777 -0.00580 0.00129 0.01403 -0.01294 91 7 C 1S 0.00031 -0.00126 -0.05054 0.00620 -0.00339 92 2S 0.02851 -0.19815 -0.19023 0.16198 -0.09135 93 2PX 0.02163 0.18166 -0.07588 0.03223 0.08337 94 2PY 0.02247 -0.18539 0.23089 0.12909 0.01345 95 2PZ 0.22351 -0.16927 -0.15795 0.31811 0.04925 96 3S -0.02615 -0.05974 -0.21394 0.77467 -0.34043 97 3PX -0.11256 -0.07676 0.11698 0.02165 -0.06539 98 3PY 0.03001 0.32567 -0.53590 0.11438 -0.28523 99 3PZ -0.25950 0.18142 0.26815 -0.50127 -0.34428 100 4XX -0.00569 -0.01592 -0.08558 0.05487 -0.02547 101 4YY 0.01289 -0.02641 -0.08398 0.02220 -0.02000 102 4ZZ -0.00253 0.01183 0.04846 -0.01801 0.01659 103 4XY 0.00498 0.01171 0.00164 -0.02465 0.00374 104 4XZ -0.01330 0.00977 0.02860 -0.00310 -0.01760 105 4YZ 0.01839 -0.00323 0.02109 0.00199 0.00269 106 8 C 1S -0.00307 -0.02365 0.02040 0.03048 -0.00013 107 2S -0.01310 -0.18635 -0.08814 0.17262 -0.05842 108 2PX -0.07579 0.05577 0.47017 -0.10585 -0.04113 109 2PY -0.03752 -0.02639 0.10274 0.09929 -0.08127 110 2PZ -0.16506 0.09739 -0.03492 -0.05723 -0.54957 111 3S 0.07920 0.76966 0.09243 -0.90534 0.20774 112 3PX 0.08021 0.50796 -0.77029 0.02296 0.01448 113 3PY 0.00044 -0.01282 -0.26907 0.11358 0.10724 114 3PZ 0.30871 -0.27375 0.06667 0.09246 0.77626 115 4XX -0.00125 -0.01928 -0.00648 0.01686 0.00205 116 4YY -0.00278 -0.05838 0.03109 0.06495 -0.00048 117 4ZZ 0.00125 0.02162 -0.02316 -0.02245 -0.01110 118 4XY -0.00049 0.03187 -0.00478 -0.01918 0.01450 119 4XZ -0.00503 0.00955 0.00340 -0.02537 0.00623 120 4YZ 0.00689 0.00449 -0.01279 -0.00699 0.03692 121 9 C 1S -0.00304 -0.00304 0.03996 -0.01077 0.00247 122 2S -0.02966 -0.07222 0.18596 0.05275 0.00579 123 2PX 0.00271 0.14828 -0.00283 -0.16317 0.01662 124 2PY 0.01120 -0.16005 0.04961 0.11149 -0.01902 125 2PZ 0.05882 0.01283 0.05007 -0.21318 0.02632 126 3S 0.02313 0.16363 -0.70394 -0.14966 0.07033 127 3PX 0.02733 0.37041 -0.10498 -0.26612 0.05179 128 3PY 0.01819 -0.35488 0.21586 0.11930 0.00868 129 3PZ -0.12956 -0.00534 -0.07787 0.32434 0.07278 130 4XX -0.00483 -0.02540 0.07757 0.00236 0.01400 131 4YY -0.00678 0.00770 0.02691 -0.00623 0.00822 132 4ZZ 0.00100 0.00930 -0.03124 -0.00379 -0.01612 133 4XY 0.00450 -0.02862 0.00307 0.02924 -0.00016 134 4XZ 0.01180 0.00462 -0.03144 0.00842 0.03493 135 4YZ 0.00107 0.00406 -0.01491 0.00515 0.00901 136 10 C 1S -0.00158 0.01949 0.00295 -0.01502 0.00503 137 2S -0.01080 -0.01445 -0.00783 0.01921 -0.01929 138 2PX -0.02054 -0.20943 0.30535 0.15490 0.10603 139 2PY -0.02210 0.03940 0.16904 -0.09970 0.13186 140 2PZ 0.06266 0.00108 -0.11159 0.03371 0.52856 141 3S 0.10619 0.25509 -0.43489 -0.28750 0.01805 142 3PX -0.02224 0.14981 -0.27274 -0.11209 -0.21203 143 3PY -0.02295 -1.03734 0.82916 0.74667 -0.31880 144 3PZ -0.09184 0.19134 -0.00428 -0.23326 -1.08174 145 4XX 0.00084 0.03117 -0.00675 -0.02373 0.00478 146 4YY -0.00429 0.02659 0.00497 -0.02827 0.00036 147 4ZZ 0.00230 -0.01587 -0.01126 0.01598 0.00041 148 4XY -0.00302 -0.00562 0.01974 -0.00586 0.00083 149 4XZ -0.00043 -0.00895 -0.00469 0.01197 -0.00121 150 4YZ -0.00083 -0.00408 -0.00320 0.00023 -0.02371 151 11 C 1S -0.00073 -0.01122 0.00673 0.00884 -0.00133 152 2S 0.01006 0.08242 -0.09559 -0.04866 0.00210 153 2PX -0.03715 -0.23649 0.20229 0.16293 -0.08792 154 2PY -0.03125 -0.10037 0.23862 0.05968 -0.06874 155 2PZ -0.07099 0.08539 -0.06281 -0.00789 -0.41617 156 3S -0.02137 -0.18485 0.36266 0.11948 0.00520 157 3PX 0.08681 0.58999 -0.61423 -0.40869 0.25983 158 3PY 0.08544 0.45826 -0.81069 -0.26647 0.21354 159 3PZ 0.16046 -0.25133 0.18313 0.12832 1.19228 160 4XX -0.00271 -0.00770 0.01556 0.00840 -0.00554 161 4YY 0.00331 0.01690 -0.05074 -0.00369 -0.01672 162 4ZZ 0.00058 -0.01047 0.02696 0.00102 0.02058 163 4XY -0.00238 0.02709 -0.02076 -0.01931 -0.01030 164 4XZ -0.00304 -0.00335 0.00752 -0.00018 -0.01571 165 4YZ -0.01132 -0.00598 0.01946 0.00725 -0.05531 166 12 H 1S 0.02019 -0.01308 -0.15708 0.04490 -0.01909 167 2S 0.01330 0.16199 -0.27033 -0.09596 0.01081 168 13 H 1S 0.01300 -0.06687 0.10171 0.03275 0.15490 169 2S 0.02114 -0.22939 0.20935 0.16115 0.29276 170 14 H 1S -0.04202 -0.04438 0.11718 0.01833 -0.15682 171 2S -0.05080 -0.19547 0.23722 0.13037 -0.33246 172 15 O 1S 0.00291 0.01777 -0.02572 -0.01056 -0.00045 173 2S 0.00153 0.00420 -0.00866 0.00695 0.00377 174 2PX -0.00128 -0.03570 0.06801 0.01697 0.02223 175 2PY -0.00547 0.05700 0.01910 -0.06143 0.03944 176 2PZ 0.01798 -0.01537 -0.03047 0.04553 0.09975 177 3S -0.05662 -0.56523 0.56309 0.39272 -0.06128 178 3PX -0.01969 -0.22040 0.27788 0.16352 0.00990 179 3PY -0.02728 -0.13928 0.18720 0.09820 0.01533 180 3PZ 0.01111 0.06083 -0.07818 -0.05195 0.11479 181 4XX 0.00337 -0.01141 -0.00385 0.01773 0.00795 182 4YY 0.00428 0.01649 -0.03608 -0.00282 0.00187 183 4ZZ 0.00123 0.01714 -0.02033 -0.00918 -0.01294 184 4XY 0.00529 -0.00426 -0.03432 0.01319 -0.00005 185 4XZ 0.00573 0.00316 -0.00083 -0.00410 0.03869 186 4YZ -0.00172 0.00064 0.00806 -0.00099 0.01586 187 16 H 1S -0.02472 -0.15531 0.31609 0.07702 -0.00720 188 2S -0.04731 -0.00236 0.06681 0.08754 0.00133 189 17 H 1S -0.01009 -0.22970 0.20066 0.22156 -0.02999 190 2S 0.03001 -0.04222 0.07083 -0.10567 0.00129 191 18 H 1S 0.01411 -0.06130 -0.27317 0.00677 -0.05036 192 2S 0.03615 0.14132 -0.11776 0.00195 -0.06675 193 19 C 1S -0.00549 0.00531 -0.01754 0.01220 -0.00351 194 2S 0.02625 -0.11736 0.08962 0.03545 -0.00291 195 2PX -0.07562 -0.01788 0.14444 -0.24337 0.15467 196 2PY -0.09279 0.06870 -0.21854 0.14720 -0.00313 197 2PZ -0.28250 0.10489 0.00210 0.06817 0.19331 198 3S 0.03207 0.50191 0.01093 -0.46820 0.09086 199 3PX 0.17952 -0.15210 -0.30112 0.83985 -0.51734 200 3PY 0.19838 -0.30763 0.46830 -0.16603 -0.04873 201 3PZ 0.59416 -0.21723 -0.02269 -0.17234 -0.56399 202 4XX 0.00133 -0.00225 0.00478 -0.02717 0.00463 203 4YY 0.00258 0.00713 0.00498 -0.00008 0.00134 204 4ZZ -0.00517 -0.00939 -0.00758 0.04001 -0.00673 205 4XY -0.00343 -0.02806 0.01338 0.02747 -0.00987 206 4XZ 0.03683 -0.01672 -0.00650 0.00436 -0.04753 207 4YZ 0.00561 0.00404 -0.00227 -0.00685 0.00544 208 20 H 1S -0.04733 -0.03560 -0.04824 0.03823 0.01507 209 2S -0.01880 0.12510 -0.13062 -0.22150 0.12185 210 21 H 1S 0.07863 -0.05336 -0.09522 0.10030 -0.17999 211 2S 0.09119 -0.11363 -0.10131 0.31150 -0.23076 212 22 H 1S -0.08116 0.06742 -0.06636 0.04834 0.10015 213 2S -0.13925 -0.00987 -0.09231 0.29930 0.00239 214 23 H 1S 0.00798 0.02369 0.02070 0.05944 -0.05736 215 2S -0.00414 -0.07161 -0.06622 0.23104 -0.01559 216 24 H 1S 0.06937 -0.01721 -0.02734 0.07763 -0.05210 217 2S -0.03699 0.15523 0.02389 -0.04572 0.04345 218 25 H 1S 0.05201 0.05593 0.02804 -0.11544 -0.06153 219 2S -0.12593 0.03293 0.03112 0.06636 -0.05902 220 26 H 1S -0.19653 0.00583 0.00116 0.04698 -0.04365 221 2S -0.17152 0.10243 0.06149 0.06453 -0.14796 222 27 H 1S 0.17735 -0.18307 -0.00992 -0.05490 -0.03382 223 2S 0.00569 -0.05071 0.02456 -0.08676 -0.01507 224 28 C 1S -0.00210 -0.01629 -0.00352 -0.00698 -0.00124 225 2S -0.10894 0.03885 -0.00347 -0.04216 0.01039 226 2PX 0.18814 0.34859 0.12445 0.14097 -0.01271 227 2PY 0.03789 -0.15279 -0.01042 -0.08237 -0.04782 228 2PZ 0.02239 0.06176 0.05004 -0.13237 -0.05389 229 3S 0.80973 0.46942 0.25980 0.40883 -0.04620 230 3PX -0.64198 -0.91492 -0.33726 -0.47499 0.04109 231 3PY -0.40641 0.03425 -0.14066 0.04061 0.10915 232 3PZ 0.03229 -0.05207 -0.07896 0.42315 0.15499 233 4XX 0.03582 0.02577 0.01257 0.02108 -0.00044 234 4YY -0.00696 0.00794 0.00092 0.00218 0.00142 235 4ZZ -0.03676 -0.02984 -0.01043 -0.03077 -0.00114 236 4XY -0.04566 -0.01249 -0.01410 -0.00477 0.01000 237 4XZ -0.00369 -0.01269 -0.01122 0.03054 0.01143 238 4YZ -0.01139 -0.01278 -0.00436 -0.00311 0.00211 239 29 H 1S -0.06899 -0.04513 -0.01941 -0.04520 0.01204 240 2S 0.30413 0.12637 0.11284 0.09608 -0.02319 241 30 H 1S -0.08485 -0.13096 -0.06615 0.07698 0.03599 242 2S -0.30072 -0.26412 -0.12453 -0.08112 0.04904 243 31 H 1S 0.01134 -0.07390 0.02103 -0.17513 -0.05399 244 2S -0.20036 -0.25396 -0.08211 -0.25880 -0.02322 245 32 H 1S -0.02469 -0.06906 -0.03931 -0.04650 0.00635 246 2S 0.30081 0.29056 0.13414 0.17275 -0.00655 247 33 H 1S 0.01645 -0.05249 -0.01060 -0.10886 0.01538 248 2S -0.18781 -0.20937 -0.08965 -0.24762 0.00982 249 34 H 1S -0.16949 0.01773 -0.00317 0.04282 -0.00018 250 2S -0.34658 -0.18938 -0.10166 -0.07562 0.04508 111 112 113 114 115 V V V V V Eigenvalues -- 0.68930 0.69443 0.70067 0.71423 0.73180 1 1 C 1S -0.00015 -0.00296 0.00221 0.00134 0.04002 2 2S 0.02240 0.02776 -0.01601 0.00414 -0.05285 3 2PX -0.04455 0.02130 -0.04287 -0.04017 -0.15874 4 2PY -0.00865 0.02166 0.02130 -0.02239 -0.35083 5 2PZ -0.03734 0.02150 0.08722 -0.09229 0.12029 6 3S -0.21365 -0.19603 0.05940 -0.02133 0.13638 7 3PX 0.10145 -0.04014 0.06608 0.11077 0.67135 8 3PY -0.03470 -0.06409 -0.09048 0.02258 0.96105 9 3PZ 0.19400 -0.00900 -0.28487 0.28811 -0.36406 10 4XX -0.01156 -0.01231 0.00114 0.00300 0.00816 11 4YY -0.00039 0.00647 -0.00204 -0.00485 0.03536 12 4ZZ 0.01067 0.00411 0.00246 0.00276 -0.00944 13 4XY -0.00647 -0.01478 0.00307 0.01160 0.01926 14 4XZ 0.00226 -0.00924 -0.01807 0.03209 -0.01846 15 4YZ -0.00108 0.00312 0.00864 -0.00738 -0.01643 16 2 C 1S -0.00046 0.00568 -0.00206 -0.00398 -0.00583 17 2S -0.01008 -0.12083 0.00992 0.11903 0.18045 18 2PX 0.08312 0.04651 -0.01348 0.03887 -0.00648 19 2PY -0.02321 0.00359 -0.00185 -0.01838 -0.70833 20 2PZ -0.05098 0.03802 0.07918 -0.12584 0.24920 21 3S 0.34087 0.42625 -0.06472 -0.15732 0.20844 22 3PX -0.21887 -0.18522 0.06763 -0.08528 0.08214 23 3PY -0.12102 -0.15461 0.06913 0.08401 1.54914 24 3PZ -0.14918 -0.17316 0.02123 0.21234 -0.54682 25 4XX 0.00718 0.00273 -0.00363 0.00620 0.01286 26 4YY -0.00571 -0.00731 0.00132 0.00166 0.01397 27 4ZZ -0.00338 -0.00791 0.00506 0.00469 -0.00562 28 4XY -0.00264 -0.01097 -0.00045 0.00821 -0.06261 29 4XZ 0.01146 0.00146 -0.00758 0.00693 0.01468 30 4YZ 0.00293 0.00544 0.00355 -0.00736 0.00057 31 3 C 1S 0.00313 -0.00107 -0.01202 0.00727 0.02108 32 2S -0.07430 -0.24368 0.02512 0.14792 0.29192 33 2PX -0.06981 -0.17903 0.04075 0.09414 -0.07057 34 2PY 0.05568 -0.11428 -0.01082 0.19078 -0.07694 35 2PZ 0.20591 0.01425 -0.34818 0.35908 -0.10624 36 3S 0.38628 0.59132 -0.05101 -0.11345 -0.57081 37 3PX 0.52615 0.55724 -0.06216 -0.13039 0.39703 38 3PY 0.07398 0.29469 0.03693 -0.30210 -0.11563 39 3PZ -0.02428 0.17083 0.30437 -0.59835 0.24276 40 4XX 0.01435 -0.00839 -0.01229 0.02391 0.04782 41 4YY -0.02096 -0.04297 -0.01083 0.02592 0.03611 42 4ZZ -0.00221 0.00746 0.01378 -0.01721 -0.01651 43 4XY 0.00670 0.01105 -0.01495 -0.00089 -0.00272 44 4XZ 0.00231 0.01013 -0.00460 -0.00618 -0.00872 45 4YZ -0.00225 0.00582 0.00474 0.00300 -0.01890 46 4 C 1S -0.01199 -0.02156 0.02258 0.00675 0.00587 47 2S 0.18760 0.15146 -0.13345 -0.00063 -0.09308 48 2PX 0.18489 0.12720 -0.03712 0.01385 0.16594 49 2PY -0.05271 0.01558 0.10238 -0.15356 -0.11604 50 2PZ 0.31382 0.22950 -0.26141 -0.05401 0.10307 51 3S -0.58600 -0.77424 0.38150 0.28084 -0.01484 52 3PX -0.21886 -0.18738 0.27309 0.09510 -0.42396 53 3PY 0.27380 0.16624 -0.18651 0.26357 0.28180 54 3PZ -0.97514 -1.04747 0.59165 0.49741 -0.23513 55 4XX -0.02181 -0.03211 0.00164 0.00671 0.01233 56 4YY -0.00703 -0.00487 -0.00223 0.00142 -0.02626 57 4ZZ 0.03763 0.02040 0.01440 0.00818 -0.01103 58 4XY 0.01365 -0.01244 -0.00127 0.01939 -0.00274 59 4XZ 0.01789 0.01345 0.01969 -0.01675 -0.01825 60 4YZ -0.01848 -0.01527 0.02072 0.00508 0.01332 61 5 C 1S 0.00903 -0.00715 -0.02434 0.02306 0.00786 62 2S -0.20455 -0.15214 0.11703 0.05949 -0.01105 63 2PX -0.02715 0.15979 -0.07581 -0.02435 -0.04826 64 2PY -0.09611 0.02333 -0.00192 -0.16006 -0.04728 65 2PZ 0.00659 0.16851 -0.28370 -0.15437 0.14148 66 3S 1.41908 1.11862 -0.14964 -0.49040 0.02561 67 3PX 0.00167 -0.47315 0.23033 0.08890 0.12456 68 3PY 0.45171 0.05767 0.15462 0.23137 -0.00479 69 3PZ -0.13669 -0.39967 0.75615 0.40406 -0.45025 70 4XX 0.02191 0.02466 0.00084 0.01051 0.00852 71 4YY -0.02683 -0.03324 -0.00267 0.01182 0.00358 72 4ZZ 0.01485 0.01212 -0.00793 -0.00480 -0.00086 73 4XY 0.02809 0.01186 0.01038 0.00509 -0.01466 74 4XZ 0.03784 0.03649 -0.01026 -0.02065 0.00872 75 4YZ 0.00069 0.02601 -0.01858 -0.03186 -0.00199 76 6 C 1S -0.00488 -0.00204 0.00602 0.00449 -0.00280 77 2S -0.08411 -0.12332 -0.09879 0.00461 0.01783 78 2PX -0.17263 -0.03720 -0.02190 -0.14069 0.00870 79 2PY -0.13592 0.19643 0.00336 -0.35316 -0.03733 80 2PZ 0.04078 -0.08991 -0.29837 0.29776 -0.00223 81 3S 0.54238 -0.33563 0.12932 0.55730 -0.22971 82 3PX 1.40359 0.65371 0.30480 0.01500 -0.30105 83 3PY 0.18291 -0.40236 -0.07792 0.37146 0.19652 84 3PZ -0.36019 0.11545 0.16150 -0.58591 0.07055 85 4XX -0.02338 -0.02754 0.00042 0.00939 -0.01174 86 4YY 0.01972 -0.01751 -0.00274 0.03597 -0.00257 87 4ZZ -0.00310 0.01823 -0.00559 -0.01887 0.00396 88 4XY -0.00905 0.02752 0.01461 -0.01265 -0.01580 89 4XZ 0.01056 -0.00795 0.00142 0.01642 0.00294 90 4YZ -0.00737 -0.00558 -0.00676 -0.00492 0.00549 91 7 C 1S 0.00619 -0.01865 0.00045 -0.00404 -0.00152 92 2S -0.13032 -0.14574 -0.05687 0.03254 0.03110 93 2PX 0.08665 0.24388 0.08207 -0.08847 0.00760 94 2PY 0.00803 0.03404 0.04795 -0.07566 0.02117 95 2PZ 0.33023 0.03146 0.31444 0.01005 -0.06262 96 3S -0.81042 -0.53041 -0.21006 -0.14263 0.29691 97 3PX 0.33484 -0.55822 -0.03462 0.38972 -0.11354 98 3PY -0.64855 0.00535 -0.08500 0.27241 0.07443 99 3PZ -0.31432 -0.02324 -0.32071 0.07521 0.12926 100 4XX -0.01460 -0.04214 -0.00921 -0.00387 0.01371 101 4YY -0.01723 -0.03956 -0.00673 -0.01404 -0.00173 102 4ZZ -0.00048 0.02614 -0.00045 0.01485 -0.00108 103 4XY 0.03232 -0.00957 0.00341 -0.00795 -0.00296 104 4XZ 0.01141 0.02717 0.01890 -0.00452 0.00186 105 4YZ 0.00851 0.01930 -0.00760 0.00591 0.00013 106 8 C 1S 0.00030 -0.00647 -0.00476 -0.01529 0.00444 107 2S -0.10749 -0.08932 -0.00379 -0.11117 0.00285 108 2PX 0.03530 0.21402 0.07377 0.23124 0.01663 109 2PY -0.08051 0.14439 0.03194 -0.10543 0.02394 110 2PZ 0.14938 -0.00861 0.26260 0.02124 0.07958 111 3S 0.05037 0.83368 0.07903 -0.03662 0.06197 112 3PX -0.39459 0.01230 -0.11429 -0.06500 0.08112 113 3PY 0.42264 -0.77206 -0.12018 0.23159 -0.08244 114 3PZ -0.16983 0.09051 -0.50975 -0.19542 -0.20453 115 4XX -0.00832 -0.00569 -0.00961 -0.03498 0.00418 116 4YY -0.04536 0.01826 -0.00211 -0.03321 0.01050 117 4ZZ 0.01647 -0.00054 0.00962 0.01743 -0.00726 118 4XY -0.00267 0.02040 0.00095 0.00843 0.00071 119 4XZ -0.01561 -0.00963 -0.01938 0.01263 -0.00374 120 4YZ 0.00667 -0.01231 0.00892 0.00833 -0.00464 121 9 C 1S -0.00149 0.01153 0.00231 0.01211 0.00003 122 2S 0.02014 -0.04358 -0.00915 0.02897 0.01172 123 2PX -0.02544 0.03055 -0.07856 0.13821 -0.02256 124 2PY -0.03946 -0.08239 -0.10397 -0.11886 -0.00847 125 2PZ -0.20697 0.01469 -0.53152 -0.11690 -0.08165 126 3S 0.98812 -1.28204 -0.11239 -0.29004 -0.17717 127 3PX -0.02054 0.24365 0.17792 -0.22924 0.10413 128 3PY -0.18456 0.41373 0.20837 0.06226 0.01341 129 3PZ 0.32929 -0.17443 0.97751 0.30422 0.19198 130 4XX 0.00291 0.00356 0.00887 0.03127 -0.00080 131 4YY 0.03708 -0.04303 0.00178 -0.00048 -0.00087 132 4ZZ -0.01284 0.01216 -0.01198 -0.00785 -0.00106 133 4XY -0.03902 0.03821 0.01200 0.00048 0.00493 134 4XZ 0.00672 -0.00791 0.01535 -0.00389 0.00174 135 4YZ 0.00741 0.00063 0.02697 0.00489 0.00362 136 10 C 1S 0.03186 -0.04006 -0.00753 -0.02717 0.00040 137 2S -0.11739 0.14632 0.05305 0.38677 -0.01586 138 2PX 0.12757 -0.30210 -0.03658 -0.29169 0.02815 139 2PY 0.40605 -0.57032 -0.06028 -0.34197 -0.00667 140 2PZ -0.16394 0.02279 0.24931 0.24264 0.05996 141 3S -0.12302 0.36507 0.03480 -0.30670 0.01496 142 3PX -0.08058 0.28594 -0.01509 0.45054 -0.09388 143 3PY -1.18323 1.47615 0.07830 0.50879 0.05667 144 3PZ 0.30047 -0.02212 -0.68652 -0.49636 -0.16788 145 4XX 0.02549 -0.02636 -0.00010 -0.01474 0.00086 146 4YY 0.03149 -0.03520 -0.00818 0.01465 -0.00231 147 4ZZ -0.02474 0.02660 0.00694 0.02296 -0.00107 148 4XY 0.05421 -0.08265 -0.01774 -0.06335 0.00105 149 4XZ -0.01569 0.02462 0.01844 0.02142 0.00257 150 4YZ -0.02424 0.03074 -0.01614 0.00766 -0.00282 151 11 C 1S -0.00461 0.00187 0.00039 0.00521 -0.00022 152 2S 0.00881 -0.00119 0.00178 -0.00047 -0.00165 153 2PX -0.02790 0.03771 -0.00043 -0.02385 -0.00053 154 2PY -0.10987 0.18903 0.01399 -0.00952 0.02091 155 2PZ 0.14215 0.04343 0.01184 -0.05022 -0.01264 156 3S -0.00373 -0.05497 -0.04551 -0.20492 0.04486 157 3PX 0.19560 -0.20687 0.05185 -0.00627 -0.01171 158 3PY 0.43750 -0.67554 -0.00821 -0.02246 -0.05186 159 3PZ -0.34377 -0.10595 0.29576 0.25518 0.11081 160 4XX 0.00009 -0.00448 -0.00590 -0.00568 0.00005 161 4YY 0.00899 -0.01043 -0.00252 -0.00892 -0.00191 162 4ZZ -0.01434 0.01581 0.00805 0.01435 0.00242 163 4XY 0.00966 0.00447 0.00086 0.02124 -0.00464 164 4XZ -0.00393 0.00755 -0.01133 -0.00431 -0.00217 165 4YZ 0.00907 0.01591 -0.00538 -0.01073 -0.00259 166 12 H 1S -0.04214 0.00533 0.00590 0.03904 -0.00206 167 2S 0.14650 -0.18497 -0.00214 0.08753 -0.03618 168 13 H 1S -0.03844 0.00146 0.08152 0.10172 0.01884 169 2S -0.18306 0.05192 0.09725 0.05840 0.04532 170 14 H 1S -0.00841 0.05702 -0.06795 0.03065 -0.02282 171 2S -0.06987 0.18236 -0.09051 -0.08373 -0.00968 172 15 O 1S -0.00821 0.01622 0.00407 0.01625 -0.00043 173 2S 0.04064 -0.06219 -0.01814 -0.11116 0.00153 174 2PX 0.07694 -0.14086 -0.00747 -0.07692 0.01144 175 2PY 0.17479 -0.21563 -0.02136 -0.15521 0.00062 176 2PZ -0.01716 0.04191 0.12589 0.06811 0.01963 177 3S -0.41626 0.46555 0.07772 0.43151 0.00531 178 3PX -0.08498 0.06287 -0.00524 -0.07434 0.01137 179 3PY 0.01541 -0.06576 -0.00828 -0.01581 -0.00402 180 3PZ -0.02588 -0.03415 0.02513 0.05228 0.01333 181 4XX -0.03679 0.04615 0.00963 0.02081 0.00178 182 4YY -0.02128 0.03457 0.00940 0.01427 -0.00109 183 4ZZ 0.02408 -0.02603 -0.01377 -0.05730 -0.00070 184 4XY -0.06490 0.08534 0.02037 0.07170 0.00039 185 4XZ 0.01835 -0.03652 0.00312 -0.02240 0.00136 186 4YZ 0.01849 -0.03230 0.00431 -0.01973 0.00347 187 16 H 1S -0.08407 0.09263 0.00706 0.02113 0.00853 188 2S 0.07456 -0.15610 -0.02189 0.09790 -0.00109 189 17 H 1S -0.15301 0.09379 -0.01250 -0.09953 0.04049 190 2S -0.09090 0.18433 0.01849 -0.07388 -0.01235 191 18 H 1S -0.01149 -0.14928 0.00568 0.06119 -0.02252 192 2S -0.26916 0.19081 0.01709 0.27304 0.01932 193 19 C 1S -0.01051 0.01034 -0.00257 -0.02520 -0.00166 194 2S -0.00038 -0.06134 0.01038 0.04392 -0.00960 195 2PX 0.22599 0.19463 0.08472 -0.05332 -0.14805 196 2PY -0.10634 0.11072 -0.03259 -0.28516 -0.02028 197 2PZ -0.20103 -0.03836 -0.10859 -0.13393 0.04419 198 3S 0.13333 0.26238 0.07650 0.02106 -0.05603 199 3PX -0.81357 -0.63394 -0.28568 0.13606 0.43881 200 3PY 0.25409 -0.47255 -0.01201 0.76599 0.15992 201 3PZ 0.62801 0.16792 0.34671 0.37562 -0.11351 202 4XX 0.04619 0.03251 0.02142 -0.00003 -0.01994 203 4YY -0.00787 0.01133 -0.00439 -0.02629 0.00033 204 4ZZ -0.04597 -0.03287 -0.01544 0.00347 0.01470 205 4XY 0.00000 -0.00659 -0.00688 0.00078 0.00944 206 4XZ 0.02562 -0.00059 0.02198 0.02269 0.01658 207 4YZ -0.00854 -0.00727 -0.00697 0.01338 -0.00141 208 20 H 1S 0.02396 0.12942 0.02214 -0.17195 -0.06132 209 2S 0.18410 0.36335 0.15854 -0.25189 -0.21245 210 21 H 1S 0.03624 0.02142 0.10908 -0.02781 0.03734 211 2S -0.12569 -0.09783 -0.03503 0.00546 0.04139 212 22 H 1S -0.23489 -0.04776 -0.13771 -0.09832 -0.02669 213 2S -0.35955 -0.07672 -0.15580 -0.27081 0.13351 214 23 H 1S -0.04299 -0.05241 -0.20236 0.07521 0.03917 215 2S -0.13883 -0.15232 -0.25934 -0.02440 0.21085 216 24 H 1S -0.01437 -0.16649 -0.12544 0.17360 0.09997 217 2S 0.17933 0.03053 -0.11153 0.13722 0.01355 218 25 H 1S -0.18055 -0.19863 0.13582 0.08261 0.07153 219 2S -0.14369 -0.21898 0.09629 0.13887 -0.00440 220 26 H 1S -0.10913 -0.09881 0.08535 0.00255 -0.09505 221 2S -0.21440 -0.27504 0.22161 0.05466 -0.12188 222 27 H 1S -0.00801 -0.08777 -0.04032 0.07867 0.23759 223 2S -0.03761 0.02801 0.00340 -0.05055 -0.04959 224 28 C 1S -0.00046 -0.00310 0.00023 0.00271 -0.03180 225 2S 0.01080 -0.01488 0.04162 0.02847 0.09323 226 2PX -0.03431 -0.04975 0.06839 0.02528 -0.07107 227 2PY -0.08310 -0.09738 0.05211 0.04396 -0.32604 228 2PZ -0.19171 -0.11155 0.11645 -0.00304 0.08268 229 3S -0.07382 0.00557 -0.08426 -0.08844 -0.46596 230 3PX 0.11565 0.09130 -0.12666 0.01159 0.03042 231 3PY 0.23716 0.25232 -0.16852 -0.07069 1.15663 232 3PZ 0.56713 0.34018 -0.37821 0.01028 -0.29176 233 4XX 0.00332 0.00146 -0.00030 -0.00063 -0.02677 234 4YY 0.00395 -0.00137 -0.00042 0.00356 -0.02943 235 4ZZ -0.00710 -0.00717 0.00980 0.00456 0.02437 236 4XY 0.02081 0.01579 -0.00831 -0.00163 0.02816 237 4XZ 0.04211 0.02748 -0.03039 0.00002 -0.00585 238 4YZ 0.00646 0.00421 -0.00091 -0.00340 0.01804 239 29 H 1S 0.02581 0.00062 0.00451 0.01783 -0.22733 240 2S -0.05095 -0.05996 0.05685 0.01328 -0.51026 241 30 H 1S 0.14866 0.06620 -0.10821 0.04575 -0.11427 242 2S 0.15642 0.07453 -0.10241 0.04101 -0.06021 243 31 H 1S -0.16409 -0.12281 0.13672 -0.00353 -0.07576 244 2S -0.10019 -0.06615 0.08424 0.00803 -0.08408 245 32 H 1S 0.01289 0.03702 -0.02863 -0.01669 0.29781 246 2S -0.02037 -0.00538 -0.01232 -0.03392 0.35996 247 33 H 1S -0.00293 0.03856 0.08914 -0.12405 0.18184 248 2S -0.04657 -0.01305 0.09142 -0.00846 0.23831 249 34 H 1S 0.02357 -0.05381 -0.06743 0.14321 0.09631 250 2S 0.13933 0.05158 -0.07498 0.05510 0.25596 116 117 118 119 120 V V V V V Eigenvalues -- 0.73572 0.73806 0.74570 0.74725 0.77782 1 1 C 1S 0.00209 -0.00693 0.00202 -0.00683 -0.01373 2 2S -0.01959 0.01256 -0.00564 0.02009 0.04378 3 2PX -0.10815 -0.02599 -0.06827 0.01284 0.14714 4 2PY 0.00492 0.02495 0.05066 0.18657 -0.02585 5 2PZ -0.09169 -0.24264 0.11717 0.38714 -0.04104 6 3S 0.10628 -0.04777 0.02549 -0.14077 -0.40873 7 3PX 0.23392 0.02621 0.16308 -0.10857 -0.54705 8 3PY -0.07733 -0.09082 -0.20741 -0.63561 -0.01058 9 3PZ 0.27587 0.76412 -0.34653 -1.14959 0.15590 10 4XX -0.00253 -0.00346 -0.00432 -0.01279 -0.00274 11 4YY -0.01706 -0.01950 -0.00026 0.00548 -0.00997 12 4ZZ 0.01917 0.01647 0.00537 -0.00051 -0.00457 13 4XY 0.00859 -0.00095 0.00878 -0.00725 -0.03075 14 4XZ -0.03419 0.00169 -0.01014 -0.02979 0.01636 15 4YZ -0.00018 -0.01000 0.01243 0.04124 0.00219 16 2 C 1S -0.00940 -0.00519 -0.00536 -0.00576 0.00594 17 2S 0.17688 0.07989 0.11749 0.07709 -0.22642 18 2PX 0.07495 0.11260 0.04484 0.08274 0.06171 19 2PY 0.10492 0.25608 -0.06665 -0.03009 0.22812 20 2PZ 0.31454 0.35506 -0.17558 -0.61864 -0.00117 21 3S -0.30186 -0.23052 -0.07345 -0.04557 0.68366 22 3PX -0.03735 -0.25073 -0.02383 -0.17998 -0.17147 23 3PY -0.14803 -0.54309 0.23031 0.08915 -0.81634 24 3PZ -0.83309 -0.91268 0.37118 1.36739 0.15161 25 4XX -0.00009 -0.00555 0.00331 -0.00806 -0.00253 26 4YY 0.00821 0.00216 0.00412 0.00463 -0.01712 27 4ZZ 0.00730 0.00478 0.00481 0.00383 -0.00918 28 4XY 0.02354 0.02277 0.00890 0.01174 -0.01128 29 4XZ 0.00407 0.00475 -0.00614 -0.02442 0.00144 30 4YZ 0.00170 -0.00143 0.00072 0.00742 -0.00069 31 3 C 1S 0.00358 0.00786 0.00423 0.01181 -0.00285 32 2S 0.32891 0.12805 0.15496 0.10466 -0.22084 33 2PX 0.21060 0.11737 0.09545 0.08098 -0.14370 34 2PY 0.11352 0.04596 0.12580 0.03407 -0.05467 35 2PZ -0.42164 -0.07367 -0.07920 -0.15349 0.04699 36 3S -0.68456 -0.20145 -0.21862 -0.08508 0.65523 37 3PX -0.30136 -0.27069 -0.03712 -0.10585 0.63034 38 3PY -0.13597 0.05410 -0.24210 -0.07080 0.22382 39 3PZ 0.96887 0.46013 0.04945 0.06447 -0.19087 40 4XX 0.03006 0.02447 0.02241 0.03757 -0.00126 41 4YY 0.03255 0.01887 0.01439 0.00852 -0.03578 42 4ZZ 0.00249 -0.00597 -0.00659 -0.01042 0.00369 43 4XY -0.02731 -0.00759 -0.01239 -0.00124 0.02963 44 4XZ -0.01134 -0.00243 0.00149 0.01987 -0.00505 45 4YZ -0.02626 -0.00782 -0.00548 -0.01156 0.01556 46 4 C 1S 0.02180 0.00284 0.01190 -0.00298 -0.00652 47 2S 0.05961 0.08327 0.03866 0.20267 -0.03154 48 2PX 0.11105 -0.01774 0.10549 0.09162 -0.08213 49 2PY 0.15826 0.08167 0.00483 0.06252 -0.37631 50 2PZ 0.20668 0.21881 0.05459 0.32736 -0.04804 51 3S -0.09683 -0.35855 0.00679 -0.72050 -0.77787 52 3PX -0.52117 -0.26776 -0.22188 -0.47168 0.07186 53 3PY -0.47976 -0.30572 0.00285 -0.20211 0.96462 54 3PZ -0.51170 -0.53719 -0.05524 -0.89072 -0.20396 55 4XX 0.01118 0.00621 -0.00351 -0.00632 -0.05437 56 4YY 0.01160 0.01210 0.00460 0.02009 0.02506 57 4ZZ 0.00699 -0.01487 0.01924 0.00045 -0.01211 58 4XY 0.02695 0.00660 0.02109 0.02719 -0.00019 59 4XZ -0.00351 -0.03400 -0.00377 -0.02042 -0.01993 60 4YZ -0.01669 -0.02425 0.00592 -0.01071 0.00068 61 5 C 1S 0.00657 0.01447 0.00861 0.01483 -0.01288 62 2S -0.04688 -0.06230 0.01337 -0.11965 -0.07136 63 2PX -0.21226 0.12423 -0.09678 0.02419 0.06442 64 2PY -0.10363 -0.06796 -0.07155 -0.07358 0.01923 65 2PZ 0.08125 0.20040 -0.07417 0.26767 0.30298 66 3S 0.71406 0.31251 0.27675 0.63414 -0.22610 67 3PX 0.45498 -0.30495 0.19238 -0.34008 -0.28345 68 3PY 0.35973 0.17333 0.21135 0.19376 -0.53194 69 3PZ -0.75628 -0.74876 -0.03924 -0.97732 -0.83495 70 4XX 0.01338 0.01573 0.02169 0.01605 -0.01098 71 4YY 0.01170 0.00308 0.00163 -0.00365 0.01887 72 4ZZ -0.00272 -0.00252 -0.00256 0.00489 -0.03907 73 4XY 0.01789 -0.00745 0.01080 -0.02142 -0.04437 74 4XZ 0.01563 -0.01504 0.00950 0.02312 0.01385 75 4YZ 0.00315 0.02287 -0.01902 0.01247 -0.01152 76 6 C 1S -0.00480 -0.00304 -0.00803 -0.00907 -0.00256 77 2S 0.12775 0.24059 0.11346 0.11130 -0.56499 78 2PX -0.12882 -0.06652 -0.09476 -0.05634 0.30406 79 2PY -0.29797 0.08441 -0.20535 -0.00098 -0.40768 80 2PZ -0.26224 0.04048 -0.03816 -0.02387 -0.38802 81 3S -0.23808 -0.71905 -0.22808 -0.29892 1.07717 82 3PX 0.47465 -0.02686 0.32562 0.09756 -1.13855 83 3PY 0.78094 -0.21767 0.42928 -0.09316 1.31133 84 3PZ 0.63306 -0.06106 0.10105 0.16674 1.03223 85 4XX -0.01079 0.01053 -0.00513 -0.01568 -0.07707 86 4YY 0.01010 0.00986 0.01114 0.00739 -0.01779 87 4ZZ 0.00303 0.00685 0.00270 0.00965 -0.00792 88 4XY -0.03186 -0.00623 0.00169 -0.01899 0.00717 89 4XZ -0.00671 -0.01573 0.00485 -0.00753 0.02357 90 4YZ 0.00550 0.01172 -0.00586 0.00981 0.01587 91 7 C 1S 0.00460 -0.00419 0.00321 -0.00312 0.00956 92 2S 0.00387 0.13138 0.16639 -0.01119 -0.14705 93 2PX -0.01616 -0.04753 0.15405 0.00152 0.14310 94 2PY -0.00014 -0.04700 -0.01310 -0.03128 -0.04215 95 2PZ 0.19932 -0.36464 0.16674 -0.18824 -0.05270 96 3S 0.11050 -0.13782 -0.55760 0.01532 1.02270 97 3PX 0.22770 -0.10698 -0.36382 0.02962 -0.60933 98 3PY -0.23074 0.21188 0.02385 0.00510 0.03772 99 3PZ -0.58143 0.73185 -0.34069 0.32480 -0.09559 100 4XX 0.02479 0.00491 0.00475 0.01069 0.04412 101 4YY -0.00674 0.01215 0.02097 -0.01658 -0.01995 102 4ZZ -0.00735 0.00274 0.00160 0.00326 -0.02176 103 4XY -0.00605 -0.00631 -0.00700 -0.00278 -0.02205 104 4XZ 0.00349 0.01123 -0.00109 0.01037 0.00062 105 4YZ 0.01065 -0.01632 0.00630 0.00083 0.01653 106 8 C 1S -0.00143 -0.00039 -0.00235 0.00435 0.01084 107 2S -0.07225 0.00374 -0.02498 -0.04362 -0.03743 108 2PX 0.06195 0.07441 0.10331 0.04047 -0.02760 109 2PY -0.09320 0.10916 0.02372 0.03568 -0.07913 110 2PZ -0.15206 0.30602 -0.15698 0.15935 0.13040 111 3S -0.34828 0.40050 0.87045 -0.06906 0.14166 112 3PX -0.09728 -0.01085 0.22217 -0.16278 0.01900 113 3PY 0.52883 -0.46708 -0.40887 -0.00406 0.13039 114 3PZ 0.39862 -0.77554 0.38548 -0.38701 -0.17106 115 4XX -0.03082 0.01674 0.03377 -0.00831 -0.00184 116 4YY -0.01489 0.00624 -0.00362 0.00354 0.02611 117 4ZZ 0.00870 -0.00624 -0.00729 -0.00349 -0.02017 118 4XY 0.01070 -0.00260 -0.00796 0.00882 -0.00001 119 4XZ -0.00018 0.00018 -0.01177 -0.00062 -0.00951 120 4YZ 0.00917 -0.00972 0.00583 -0.00750 -0.00040 121 9 C 1S 0.00326 -0.00072 -0.00478 0.00068 -0.00809 122 2S 0.07376 -0.09700 -0.26057 0.06469 0.01836 123 2PX 0.17645 -0.12494 -0.15837 0.02354 -0.04586 124 2PY -0.02321 -0.02358 0.07855 -0.04250 0.04179 125 2PZ 0.12847 -0.27165 0.12132 -0.13155 -0.07509 126 3S 0.29952 -0.30001 -0.42353 0.04157 0.02312 127 3PX -0.57720 0.50971 0.68700 -0.10577 -0.02011 128 3PY -0.12098 0.11854 -0.25216 0.13535 -0.12716 129 3PZ -0.33571 0.69828 -0.40212 0.36694 0.16128 130 4XX 0.02189 -0.01678 -0.04174 0.00788 -0.00605 131 4YY 0.02563 -0.02549 -0.08061 0.02048 -0.00378 132 4ZZ -0.00796 0.00345 0.02437 -0.00664 0.00248 133 4XY -0.01357 0.00737 -0.00380 -0.00056 0.00350 134 4XZ -0.00738 0.01001 0.01379 0.00018 0.00569 135 4YZ -0.01091 0.01865 0.01549 0.00140 0.00710 136 10 C 1S -0.00840 0.00457 0.00486 -0.00017 0.00104 137 2S 0.35862 -0.30233 -0.76067 0.17318 -0.05812 138 2PX -0.04898 0.00414 -0.35868 0.10410 -0.03447 139 2PY -0.11490 0.05568 -0.04376 0.01192 0.01400 140 2PZ -0.18311 0.27734 -0.05434 0.09294 -0.02397 141 3S -0.69370 0.60848 1.61282 -0.34979 0.09822 142 3PX 0.14706 -0.05501 0.84459 -0.26353 0.09446 143 3PY 0.03899 0.01031 0.28745 -0.05601 -0.04773 144 3PZ 0.49650 -0.75410 0.13293 -0.25820 0.02426 145 4XX -0.00752 0.00415 -0.00751 0.00353 0.00067 146 4YY 0.03599 -0.03450 -0.08811 0.02145 -0.00739 147 4ZZ 0.01093 -0.00859 -0.01307 0.00099 -0.00107 148 4XY -0.03292 0.02102 0.04931 -0.01130 0.01639 149 4XZ 0.00354 0.00564 -0.01311 0.00694 0.00203 150 4YZ 0.00772 -0.00867 0.00699 -0.00476 -0.00379 151 11 C 1S 0.01287 -0.01318 -0.04182 0.00956 -0.00427 152 2S -0.01847 0.01876 0.06335 -0.01297 0.01330 153 2PX 0.02282 -0.02974 -0.04892 0.01000 0.01001 154 2PY -0.15178 0.16027 0.50133 -0.11090 0.05502 155 2PZ 0.09401 -0.08783 -0.03068 -0.00210 0.04659 156 3S -0.03211 -0.00668 -0.28014 0.07920 -0.04907 157 3PX -0.23117 0.25849 0.62674 -0.13610 0.04119 158 3PY 0.41598 -0.42998 -1.50095 0.34543 -0.13152 159 3PZ -0.39469 0.49706 -0.10086 0.15250 -0.08761 160 4XX 0.01733 -0.01920 -0.05763 0.01288 -0.00769 161 4YY 0.00383 -0.00891 -0.00934 -0.00019 0.00428 162 4ZZ -0.01239 0.01829 0.03102 -0.00390 0.00165 163 4XY 0.02861 -0.02382 -0.04087 0.00766 -0.00747 164 4XZ -0.00338 -0.00127 0.03081 -0.01094 -0.00216 165 4YZ 0.00879 -0.01203 0.02553 -0.01066 0.00420 166 12 H 1S 0.07964 -0.08749 -0.26696 0.05854 -0.00929 167 2S 0.30997 -0.29551 -0.84486 0.18959 -0.08671 168 13 H 1S 0.03368 0.00980 -0.26411 0.09275 -0.01562 169 2S -0.18046 0.19647 0.09974 0.01460 -0.02151 170 14 H 1S 0.14392 -0.16265 -0.19258 0.01606 -0.04862 171 2S 0.03249 -0.06761 0.21972 -0.07934 0.07713 172 15 O 1S 0.00391 -0.00158 0.00069 0.00011 -0.00070 173 2S -0.03590 0.01701 -0.01437 0.00416 0.00329 174 2PX -0.04921 0.03404 0.03682 -0.00200 0.02335 175 2PY -0.08211 0.05283 0.08453 -0.01187 0.03279 176 2PZ -0.01868 0.05998 -0.04569 0.03629 0.01982 177 3S 0.16152 -0.06784 0.02165 -0.00715 -0.01820 178 3PX -0.01568 0.00766 -0.12455 0.03780 -0.04745 179 3PY 0.04269 -0.02858 -0.09871 0.01538 -0.03112 180 3PZ -0.06961 0.08486 -0.00302 0.02189 -0.01929 181 4XX 0.00972 -0.00589 -0.02994 0.00895 -0.00714 182 4YY 0.00255 0.00286 -0.00397 0.00112 -0.00584 183 4ZZ -0.02132 0.00972 0.01754 -0.00505 0.00345 184 4XY 0.02126 -0.00795 -0.01312 0.00397 -0.00268 185 4XZ -0.01678 0.01257 0.00937 -0.00136 0.00140 186 4YZ -0.01993 0.01864 -0.00047 0.00445 0.00033 187 16 H 1S 0.00966 -0.02434 -0.12780 0.02153 -0.03282 188 2S 0.15997 -0.06837 -0.00105 0.01576 0.10132 189 17 H 1S -0.06206 0.02707 -0.00471 0.01534 0.11393 190 2S -0.19092 0.10539 0.15620 -0.05548 -0.15458 191 18 H 1S 0.01244 0.00072 0.07348 -0.07742 -0.01308 192 2S -0.08494 0.05669 0.15699 0.00877 0.02436 193 19 C 1S -0.00712 0.01140 -0.00652 0.00328 -0.04313 194 2S 0.04262 -0.00699 0.03824 -0.01794 0.01936 195 2PX -0.02082 -0.12916 0.00077 -0.10879 -0.14529 196 2PY -0.03330 0.08493 -0.03800 0.01971 -0.15256 197 2PZ 0.23766 0.00982 0.03883 0.06894 0.23970 198 3S -0.24731 0.06340 -0.13127 0.10756 -0.44575 199 3PX -0.07468 0.37258 -0.06866 0.27489 0.37305 200 3PY 0.22314 -0.26901 0.14029 -0.05357 1.03974 201 3PZ -0.72661 0.00642 -0.14553 -0.19085 -0.91132 202 4XX 0.00197 -0.00891 -0.00384 -0.00608 -0.02693 203 4YY -0.01375 0.02000 -0.01235 0.01296 -0.05242 204 4ZZ 0.01037 0.00402 0.01445 -0.00131 0.02586 205 4XY 0.00587 0.00602 -0.00920 0.00952 0.01641 206 4XZ -0.03977 0.01746 -0.01018 0.00530 0.01162 207 4YZ -0.01543 -0.00776 0.00280 -0.01121 -0.01003 208 20 H 1S -0.01842 0.01889 -0.07850 0.00510 -0.24197 209 2S -0.16318 -0.08214 0.02113 -0.17360 -0.46261 210 21 H 1S -0.11277 0.07998 -0.02496 0.00632 -0.18383 211 2S -0.17611 0.11331 -0.06434 0.01266 -0.37210 212 22 H 1S 0.00292 0.01165 0.02599 -0.03014 -0.24852 213 2S 0.19177 0.20622 -0.03828 0.19834 0.29385 214 23 H 1S 0.02233 0.24696 -0.02989 0.14900 -0.14568 215 2S 0.29900 0.05322 0.07241 0.15707 0.39535 216 24 H 1S 0.09796 0.05422 0.08906 0.14223 0.15254 217 2S 0.18652 0.22897 0.05028 0.20684 -0.21017 218 25 H 1S 0.08444 0.05562 0.06638 -0.06424 -0.07830 219 2S -0.00499 -0.12351 0.05098 -0.12593 0.18038 220 26 H 1S 0.05540 0.01468 0.00541 -0.06673 -0.00879 221 2S 0.10721 0.02659 0.02931 0.00110 -0.40249 222 27 H 1S 0.13637 0.04846 0.08375 0.05662 -0.15320 223 2S -0.12669 -0.00238 -0.11643 -0.03276 0.08700 224 28 C 1S 0.00890 0.01080 0.00394 0.00958 -0.00420 225 2S 0.03370 -0.00622 0.04000 -0.00339 -0.05791 226 2PX 0.05451 -0.00217 0.06698 0.03811 -0.14269 227 2PY 0.01991 0.01450 0.06220 0.14235 -0.06065 228 2PZ -0.21733 -0.30637 0.09278 0.30585 0.01175 229 3S -0.15738 -0.01058 -0.17494 -0.04018 0.39205 230 3PX -0.09071 0.06478 -0.13191 -0.06280 0.41002 231 3PY -0.11043 -0.06932 -0.18699 -0.46629 0.09958 232 3PZ 0.64555 0.95521 -0.29827 -0.91985 -0.03623 233 4XX 0.01195 0.01109 0.00514 0.00738 -0.01970 234 4YY 0.01342 0.01680 -0.00110 -0.00343 0.02067 235 4ZZ -0.01154 -0.01696 0.00489 0.00471 -0.00866 236 4XY 0.01014 0.00670 0.00368 0.00235 -0.00127 237 4XZ 0.01250 0.02713 -0.00858 -0.00590 -0.01105 238 4YZ 0.01471 0.01322 -0.00696 -0.02757 -0.00857 239 29 H 1S 0.09848 0.09464 0.05869 0.12015 0.01213 240 2S 0.14227 0.13109 0.06795 0.04883 -0.24657 241 30 H 1S 0.05043 0.10024 0.01222 0.04836 -0.10518 242 2S 0.20043 0.32559 -0.11986 -0.37533 0.15947 243 31 H 1S 0.04187 -0.02423 0.03682 0.00016 -0.03121 244 2S -0.17546 -0.25225 0.12907 0.46277 0.06948 245 32 H 1S -0.09987 -0.08711 -0.04641 -0.07967 0.00030 246 2S -0.07160 -0.11123 -0.06219 -0.11184 0.11021 247 33 H 1S 0.15297 -0.00205 0.04046 0.07953 -0.07358 248 2S -0.16785 -0.31033 0.16657 0.40569 -0.14845 249 34 H 1S -0.10929 -0.02842 -0.00901 -0.10465 -0.03248 250 2S 0.21120 0.25336 -0.08131 -0.42554 -0.11682 121 122 123 124 125 V V V V V Eigenvalues -- 0.78686 0.80679 0.82522 0.83094 0.83328 1 1 C 1S -0.00964 0.00339 0.01505 0.02770 -0.02651 2 2S -0.03563 0.11166 0.04892 -0.01610 -0.06538 3 2PX -0.34559 0.36561 -0.01642 -0.02225 -0.05669 4 2PY 0.29298 -0.31686 -0.04318 0.01030 0.10277 5 2PZ -0.08449 0.08993 -0.04404 0.15209 -0.05685 6 3S 0.41952 -1.14557 -0.14021 0.46636 0.24941 7 3PX 1.05499 -1.24813 0.13441 0.40892 -0.01604 8 3PY -0.83345 0.51137 0.19904 0.48609 -0.46566 9 3PZ 0.29059 -0.03124 -0.01125 -0.32211 0.15273 10 4XX -0.05141 0.05302 -0.00152 0.01933 -0.01759 11 4YY 0.02017 -0.04836 0.00547 0.00743 0.01033 12 4ZZ 0.02205 -0.00732 0.02129 0.00972 -0.02811 13 4XY 0.03540 -0.04286 0.00611 0.05926 -0.02500 14 4XZ 0.02529 0.03143 -0.02262 0.03245 -0.01030 15 4YZ -0.00635 0.01971 0.00302 0.00002 -0.01134 16 2 C 1S -0.00760 -0.00575 0.00609 0.01036 -0.00810 17 2S 0.02028 0.13759 0.31319 0.63737 -0.64961 18 2PX 0.24015 0.27182 -0.21335 -0.45722 0.26954 19 2PY -0.18089 0.28444 0.09715 0.06112 -0.20286 20 2PZ 0.08368 -0.08466 -0.02838 0.06678 0.01910 21 3S 0.72474 -0.23192 -0.76707 -1.21957 1.05045 22 3PX -0.25393 -1.04266 0.43158 1.55982 -0.79908 23 3PY 1.09337 -1.36923 -0.45133 -0.15694 0.82478 24 3PZ -0.29350 0.49137 0.06440 -0.10259 -0.15524 25 4XX 0.01125 -0.02785 0.03594 0.07452 -0.06974 26 4YY -0.01718 0.01797 0.01995 0.03551 -0.03610 27 4ZZ 0.00119 0.01207 0.00133 0.00190 -0.00505 28 4XY 0.02397 -0.01427 -0.01447 -0.01550 0.02295 29 4XZ -0.01232 -0.00441 0.01460 -0.03977 0.00767 30 4YZ -0.00388 -0.00289 -0.00539 -0.00466 0.01125 31 3 C 1S 0.02552 0.00001 -0.01338 -0.00103 0.00807 32 2S -0.12524 0.21466 0.18459 0.13532 -0.21294 33 2PX -0.06367 0.25337 -0.09132 -0.18762 0.14743 34 2PY 0.21087 0.20493 -0.23483 0.04686 0.03761 35 2PZ 0.10742 0.02993 0.03110 0.10924 -0.07958 36 3S 0.48244 0.33241 -0.52456 -0.45435 0.43905 37 3PX 0.68491 -0.40351 0.07825 0.79430 -0.70659 38 3PY -0.70007 0.03028 0.65608 -0.04388 -0.25947 39 3PZ -0.21557 -0.19628 -0.05975 -0.23677 0.22889 40 4XX 0.03758 0.07451 -0.01390 -0.02592 -0.00178 41 4YY -0.00678 -0.02065 -0.00600 0.05570 -0.00026 42 4ZZ -0.03167 -0.00397 0.03275 -0.01371 -0.01548 43 4XY -0.00822 -0.01459 0.00870 0.03334 -0.01331 44 4XZ 0.00306 0.01232 -0.01700 0.03523 -0.00344 45 4YZ 0.01497 0.02682 0.00177 -0.01344 -0.01043 46 4 C 1S 0.00606 0.02445 -0.00553 -0.00206 -0.00107 47 2S 0.08235 0.04285 0.06148 -0.04489 -0.11686 48 2PX 0.22911 0.14828 -0.04108 -0.15080 -0.07595 49 2PY -0.32466 -0.21060 0.19217 -0.01022 0.02856 50 2PZ -0.10864 0.01003 -0.02363 0.08325 0.06847 51 3S -0.59970 -0.30067 -0.29187 -0.22280 0.75685 52 3PX -0.55812 -0.20757 0.30139 0.32112 0.04890 53 3PY 1.00563 0.46229 -0.65906 0.53552 -0.26061 54 3PZ 0.03428 -0.03158 -0.09163 -0.26092 0.13319 55 4XX -0.04151 -0.03799 0.00893 0.00607 0.01821 56 4YY 0.00177 0.03991 -0.00983 -0.03239 0.00346 57 4ZZ 0.04111 0.02340 0.00919 -0.00025 -0.03084 58 4XY 0.01173 0.03253 0.00688 -0.01549 -0.01441 59 4XZ -0.03893 -0.03293 0.01522 -0.03546 0.01742 60 4YZ 0.03942 -0.01534 0.02464 -0.00711 -0.01987 61 5 C 1S -0.00014 0.00654 -0.00671 0.00492 0.00528 62 2S -0.00206 0.06915 0.11641 -0.09638 0.03982 63 2PX 0.18671 0.13543 0.24272 -0.06135 -0.19509 64 2PY 0.05233 -0.02986 -0.45949 0.42462 0.17013 65 2PZ -0.04446 -0.15835 -0.06808 0.10348 0.04998 66 3S -0.18735 -0.08792 -0.67904 0.31168 0.01089 67 3PX -0.65756 -0.63541 -0.78207 0.18585 0.68136 68 3PY -0.29990 0.05245 1.12289 -1.20069 -0.33770 69 3PZ -0.16537 0.01671 0.24039 -0.27480 0.00896 70 4XX 0.03868 0.03311 0.00443 -0.01517 -0.02430 71 4YY -0.01101 -0.00447 -0.03100 0.02445 0.03466 72 4ZZ -0.03133 -0.01113 0.03188 -0.01893 0.00662 73 4XY -0.04588 -0.01567 -0.02150 0.01319 0.02667 74 4XZ 0.01888 -0.01406 0.00535 -0.01011 -0.00293 75 4YZ -0.03756 -0.02451 0.02990 -0.02360 0.00270 76 6 C 1S 0.00259 0.00155 -0.00158 -0.00439 -0.00761 77 2S 0.04135 0.27512 -0.18676 -0.13450 -0.03973 78 2PX -0.00317 -0.20856 0.07481 -0.01715 -0.02102 79 2PY 0.27901 0.23700 0.10965 -0.17634 -0.21443 80 2PZ -0.16598 -0.19401 0.00332 -0.14554 0.09309 81 3S -0.50496 -0.61522 0.13277 0.20199 -0.30031 82 3PX -0.45836 0.36987 -0.30723 -0.14349 -0.06784 83 3PY -0.73574 -0.97128 -1.05571 0.95006 0.81189 84 3PZ 0.54433 0.54685 0.09146 0.38371 -0.26464 85 4XX -0.00076 0.02862 -0.05418 -0.00342 -0.02372 86 4YY 0.01066 0.03442 0.01215 -0.00872 -0.00562 87 4ZZ 0.00026 -0.00677 0.00761 -0.00327 0.01094 88 4XY 0.02026 0.02259 -0.02350 0.03920 0.00597 89 4XZ 0.01525 0.00831 0.01608 0.00543 -0.00404 90 4YZ -0.01560 -0.00446 -0.01514 0.01560 0.01178 91 7 C 1S -0.01218 -0.01309 -0.01809 0.00355 -0.00239 92 2S -0.06389 0.06792 0.15345 -0.04278 0.15727 93 2PX 0.14564 0.04387 0.00071 0.04610 -0.01055 94 2PY 0.06833 -0.03298 -0.42757 -0.06271 -0.34774 95 2PZ 0.09945 0.11987 0.14882 -0.04969 -0.01461 96 3S 0.23501 -0.59951 -0.44809 -0.04526 -0.42417 97 3PX -0.70646 -0.29088 0.17181 -0.74707 -0.48539 98 3PY 0.17118 0.27402 1.25197 0.15733 0.86088 99 3PZ -0.22223 -0.33170 -0.34927 0.06563 0.12457 100 4XX -0.01707 -0.03022 0.01536 -0.01691 0.01087 101 4YY -0.01356 0.00122 -0.02833 0.01973 0.01190 102 4ZZ 0.00788 0.01726 0.03610 -0.00546 0.01154 103 4XY 0.01135 0.01890 0.00409 0.00801 0.00354 104 4XZ -0.00004 0.00254 -0.00424 0.00566 0.00580 105 4YZ 0.01723 0.01044 0.00992 0.00353 -0.00778 106 8 C 1S 0.00205 -0.00705 0.00745 -0.01586 -0.01317 107 2S 0.04689 0.07214 0.02517 0.10903 0.12930 108 2PX -0.08407 -0.03041 -0.07571 0.00739 0.00779 109 2PY 0.12113 0.18164 -0.01750 0.26033 0.26698 110 2PZ -0.02943 -0.04915 -0.02438 0.01081 -0.02486 111 3S 0.46438 0.37098 0.06097 0.73293 0.71086 112 3PX 0.27599 0.20386 0.53059 0.14658 0.38404 113 3PY -0.64900 -0.81533 -0.52734 -1.25291 -1.54717 114 3PZ 0.18639 0.23423 0.09593 0.08455 0.08542 115 4XX 0.01547 0.01718 -0.01255 0.02881 0.01989 116 4YY 0.03151 0.00695 0.05287 -0.01576 0.00397 117 4ZZ -0.01532 0.00070 -0.02227 0.01370 0.00791 118 4XY 0.00802 -0.00153 -0.03453 -0.01774 -0.04079 119 4XZ -0.01267 -0.00541 0.00442 -0.00183 0.00454 120 4YZ -0.00097 0.01047 -0.00298 0.01250 0.00158 121 9 C 1S 0.00522 0.01026 0.01058 0.01606 0.02346 122 2S 0.06947 0.05396 0.14666 0.04120 0.11594 123 2PX -0.07116 -0.10154 -0.26974 -0.16985 -0.30548 124 2PY -0.08165 -0.13190 -0.19395 -0.20253 -0.33030 125 2PZ 0.02796 0.04194 0.09368 0.03732 0.10278 126 3S -0.70633 -0.73635 -1.10162 -0.91388 -1.51564 127 3PX 0.47447 0.62638 0.95733 1.03908 1.57113 128 3PY 0.41665 0.58977 0.92177 0.79124 1.35506 129 3PZ -0.22374 -0.28112 -0.37893 -0.25215 -0.44783 130 4XX -0.00541 -0.00282 0.01549 -0.00319 0.00694 131 4YY 0.00685 0.00420 -0.01113 0.00154 -0.00735 132 4ZZ -0.00063 -0.00269 -0.00471 -0.00751 -0.01003 133 4XY 0.01985 0.01453 0.03236 0.01771 0.02915 134 4XZ -0.00010 -0.00050 -0.01060 -0.00097 -0.00926 135 4YZ -0.00266 -0.00072 -0.00467 -0.00238 -0.00801 136 10 C 1S 0.00562 0.00678 0.01895 0.00589 0.01739 137 2S 0.03589 0.03147 0.06255 0.00447 0.04232 138 2PX 0.15762 0.10386 0.09781 0.09177 0.14113 139 2PY -0.02319 -0.04899 -0.11390 -0.05570 -0.13536 140 2PZ -0.08388 -0.06658 -0.01808 -0.01340 0.02051 141 3S 0.14065 0.31587 0.81698 0.49126 0.99387 142 3PX -0.68073 -0.63269 -1.03253 -0.79312 -1.38978 143 3PY 0.24781 0.31099 0.55288 0.30400 0.62975 144 3PZ 0.22928 0.20661 0.15359 0.10290 0.08695 145 4XX 0.01311 0.01728 0.04902 0.01706 0.04411 146 4YY 0.01878 0.02424 0.05592 0.02454 0.06023 147 4ZZ -0.00706 -0.00991 -0.02292 -0.01233 -0.02614 148 4XY 0.00152 0.00457 0.07091 0.00075 0.04345 149 4XZ -0.00463 -0.00634 -0.02907 -0.00207 -0.02277 150 4YZ -0.00617 -0.00895 -0.02841 -0.00780 -0.02270 151 11 C 1S 0.00879 0.00705 0.00828 0.00533 0.00952 152 2S -0.01032 -0.01004 0.02171 -0.03525 -0.02274 153 2PX 0.00054 -0.00729 -0.01773 -0.02820 -0.05191 154 2PY -0.03644 -0.00854 0.09526 0.01589 0.07498 155 2PZ 0.04005 0.03595 -0.01822 0.04489 -0.01819 156 3S 0.29374 0.27204 0.34779 0.39495 0.59443 157 3PX -0.25254 -0.21239 -0.30572 -0.17915 -0.32540 158 3PY 0.12213 0.02673 -0.20518 -0.01848 -0.14610 159 3PZ -0.09579 -0.08461 0.06917 -0.02976 0.13696 160 4XX 0.01464 0.00796 -0.00407 0.00312 0.00128 161 4YY 0.00685 0.00660 0.03326 0.00312 0.02193 162 4ZZ -0.01008 -0.00698 -0.01673 -0.00416 -0.01500 163 4XY -0.00628 -0.00880 -0.04450 -0.01225 -0.03753 164 4XZ -0.00485 -0.00311 0.00687 -0.00718 0.00357 165 4YZ 0.00371 0.00441 0.00231 -0.00173 -0.00191 166 12 H 1S 0.06729 0.05853 0.18016 0.05080 0.15681 167 2S 0.04968 -0.00644 -0.27459 -0.05966 -0.23696 168 13 H 1S 0.02739 0.02357 -0.02704 0.05041 0.01486 169 2S -0.02081 -0.01357 0.19244 -0.03875 0.15126 170 14 H 1S 0.04214 0.03378 0.00096 -0.00502 0.01344 171 2S 0.06473 0.07542 0.17936 0.07261 0.10347 172 15 O 1S 0.00105 0.00339 0.01166 0.00363 0.01091 173 2S 0.02895 -0.00403 -0.10094 -0.00225 -0.07599 174 2PX 0.02987 0.05002 0.21625 0.04028 0.16701 175 2PY 0.02923 0.04410 0.20818 0.03856 0.15675 176 2PZ -0.00321 -0.00761 -0.07901 0.00844 -0.05967 177 3S -0.22584 -0.19418 -0.30110 -0.26724 -0.41725 178 3PX 0.03380 -0.01620 -0.24857 -0.04208 -0.20089 179 3PY -0.11055 -0.15751 -0.52769 -0.16887 -0.48200 180 3PZ -0.02453 -0.00944 0.12144 0.01180 0.12848 181 4XX 0.00822 -0.00005 -0.04218 -0.00321 -0.03221 182 4YY -0.01156 -0.02170 -0.08857 -0.02206 -0.07661 183 4ZZ 0.01693 0.00591 -0.01747 0.00706 -0.00926 184 4XY -0.00931 -0.00763 -0.01656 -0.00392 -0.01187 185 4XZ 0.00306 0.00279 0.00889 0.00211 0.00668 186 4YZ 0.00316 0.00273 0.01485 0.00535 0.01614 187 16 H 1S 0.07875 0.08635 0.15730 0.13315 0.21774 188 2S -0.33689 -0.46572 -0.77412 -0.72635 -1.16621 189 17 H 1S 0.07350 -0.05495 0.09947 -0.17669 -0.17069 190 2S 0.20337 0.40260 0.16002 0.72745 0.83851 191 18 H 1S -0.14670 -0.09494 -0.21412 0.08347 -0.00157 192 2S 0.15473 0.26927 0.91553 0.02435 0.49587 193 19 C 1S 0.00416 0.01804 -0.00935 -0.00308 -0.00149 194 2S 0.00137 -0.03380 -0.04183 0.08028 0.02435 195 2PX -0.22649 0.04273 -0.26987 0.32183 0.25063 196 2PY 0.04899 0.06210 -0.06698 0.07121 0.04158 197 2PZ -0.00854 0.04825 -0.07277 0.08837 0.00375 198 3S 0.35073 0.54529 0.66660 -0.62901 -0.42629 199 3PX 0.67846 0.02024 0.69768 -0.83780 -0.62848 200 3PY -0.31252 -0.60555 0.07229 0.07332 0.15466 201 3PZ -0.14115 -0.19280 0.11685 -0.33441 0.06337 202 4XX -0.05016 -0.02564 -0.01197 0.01227 0.01673 203 4YY 0.03833 0.02890 0.03362 -0.04768 -0.04402 204 4ZZ 0.02828 0.01984 -0.02024 0.03133 0.01905 205 4XY -0.02344 -0.04379 0.02140 -0.04364 -0.03143 206 4XZ 0.00831 0.00789 -0.02457 0.01881 0.01514 207 4YZ 0.00712 -0.00623 0.00609 -0.00079 0.00787 208 20 H 1S -0.11767 -0.06071 -0.00377 -0.12595 -0.10961 209 2S -0.06861 0.25006 -0.51564 0.57626 0.38898 210 21 H 1S 0.01424 0.16631 -0.23306 0.13615 0.10443 211 2S 0.17509 -0.12448 0.38372 -0.56685 -0.30169 212 22 H 1S 0.10115 0.16743 -0.08067 0.04019 0.01959 213 2S 0.16465 0.09570 0.02948 -0.05070 -0.21721 214 23 H 1S -0.07046 0.07670 0.10513 -0.07460 -0.04039 215 2S 0.03837 -0.20570 -0.63800 0.49550 0.33908 216 24 H 1S 0.13633 0.08136 -0.16331 0.11480 0.07300 217 2S -0.17101 0.09136 0.86911 -0.77275 -0.30106 218 25 H 1S 0.12356 0.13345 -0.02747 0.09679 -0.02233 219 2S 0.28771 0.20766 -0.21004 -0.24757 -0.05205 220 26 H 1S -0.08429 0.16929 -0.14419 -0.06541 0.12401 221 2S -0.34378 -0.22429 0.42717 -0.17664 -0.00679 222 27 H 1S 0.17919 -0.09839 -0.15688 0.09290 0.10654 223 2S -0.53017 0.23390 0.47348 -0.21009 -0.15003 224 28 C 1S 0.00173 -0.00246 0.01886 0.03359 -0.03367 225 2S 0.11260 0.04120 0.01367 -0.05671 -0.02687 226 2PX 0.37111 -0.41238 0.03487 0.05750 0.04503 227 2PY 0.13230 -0.16919 0.05183 0.10531 -0.04045 228 2PZ -0.07521 0.11056 -0.08610 0.12658 -0.00273 229 3S -0.94160 0.46770 0.24158 0.38827 -0.40386 230 3PX -1.08263 1.48249 0.07261 -0.11242 -0.39750 231 3PY -0.15990 0.40641 -0.35009 -0.77889 0.56180 232 3PZ 0.14081 -0.27217 0.20674 0.04161 -0.12108 233 4XX 0.04479 -0.06265 0.00496 0.02092 0.00171 234 4YY -0.03206 0.06191 0.01840 0.01109 -0.04682 235 4ZZ -0.01306 0.02501 0.00571 -0.00281 -0.00615 236 4XY 0.03037 -0.00188 -0.02999 -0.01655 0.02591 237 4XZ -0.02741 0.00963 0.00070 0.04345 -0.00889 238 4YZ 0.00144 -0.01954 0.00607 -0.02128 0.01426 239 29 H 1S 0.17666 -0.02524 -0.00160 0.11950 -0.11937 240 2S 0.49913 -0.81676 0.14028 0.34251 -0.02287 241 30 H 1S -0.01887 -0.04309 0.09308 0.38092 -0.20578 242 2S -0.16360 0.42336 0.08569 -0.28580 -0.13229 243 31 H 1S 0.04693 -0.08503 0.16297 0.06695 -0.18020 244 2S -0.26612 0.49008 -0.08435 0.18616 -0.14672 245 32 H 1S -0.09496 0.02263 0.02109 0.00156 0.00464 246 2S -0.68792 0.70842 0.10894 0.24577 -0.39887 247 33 H 1S -0.15684 -0.01954 0.20035 0.05826 -0.19169 248 2S 0.34424 -0.28347 -0.06852 0.27257 -0.01278 249 34 H 1S 0.01616 0.14805 0.04744 0.39540 -0.29520 250 2S 0.29612 -0.44869 0.13821 -0.20686 0.11945 126 127 128 129 130 V V V V V Eigenvalues -- 0.84063 0.86115 0.86556 0.87519 0.87805 1 1 C 1S -0.00799 -0.00312 0.00231 -0.00619 -0.01238 2 2S 0.02434 0.04838 -0.01250 0.01419 0.18434 3 2PX -0.01270 0.01702 -0.00291 -0.01624 -0.06353 4 2PY 0.09911 -0.05042 -0.01896 0.05169 -0.05545 5 2PZ 0.26562 -0.00581 -0.08694 0.13255 -0.08402 6 3S -0.18260 -0.35340 0.04869 0.10723 -0.56006 7 3PX 0.03831 -0.15455 -0.00674 0.16178 0.25841 8 3PY -0.35906 -0.02420 0.06674 -0.13868 -0.27587 9 3PZ -0.20471 0.03013 0.06839 -0.12522 0.10089 10 4XX 0.00476 -0.00408 -0.00053 -0.00606 -0.04251 11 4YY 0.01080 -0.00513 0.00488 -0.00972 0.00261 12 4ZZ -0.01745 0.00961 -0.00394 0.01489 0.05769 13 4XY 0.01266 -0.01069 -0.00974 0.03230 0.02791 14 4XZ 0.07898 -0.00598 -0.02257 0.03377 -0.02790 15 4YZ -0.00439 0.00705 0.00037 -0.00071 0.02460 16 2 C 1S -0.01033 -0.00173 0.00000 0.00279 0.00319 17 2S -0.22909 -0.12239 0.00911 0.02182 -0.06774 18 2PX 0.21172 0.04415 -0.02650 0.00209 0.00647 19 2PY -0.12864 0.03087 -0.01468 -0.00803 -0.03940 20 2PZ 0.10994 -0.03104 -0.04949 0.08091 -0.10962 21 3S -0.24145 0.23782 0.01417 -0.09941 -0.13870 22 3PX -0.98449 -0.25467 0.10412 0.02433 -0.36887 23 3PY 0.26666 -0.33262 0.05490 0.08317 -0.31419 24 3PZ -0.10602 0.12000 0.09312 -0.18230 0.38624 25 4XX -0.09236 -0.01724 0.00577 0.00143 -0.02530 26 4YY 0.01103 -0.00097 -0.00260 0.00174 0.00506 27 4ZZ 0.01901 0.00157 -0.00111 -0.00049 0.00198 28 4XY -0.00440 -0.00862 0.00396 -0.00102 -0.01036 29 4XZ -0.05074 0.00671 0.01362 -0.01649 0.02456 30 4YZ 0.01612 0.00428 -0.00400 0.00078 -0.00762 31 3 C 1S 0.00332 -0.00988 0.00279 -0.00384 -0.01658 32 2S -0.00255 -0.01177 -0.03617 0.12150 0.32187 33 2PX 0.27592 0.01163 -0.02681 0.04247 0.09272 34 2PY -0.22797 -0.13134 0.04806 -0.11760 -0.62940 35 2PZ 0.16371 0.02697 0.00839 -0.01727 0.22417 36 3S 0.83998 0.12815 0.04073 -0.28167 -0.11169 37 3PX -1.00808 0.02672 0.06772 -0.06455 -0.10862 38 3PY 1.04685 0.54186 -0.16257 0.22310 1.95474 39 3PZ -0.32130 -0.08738 -0.04607 0.05554 -0.72696 40 4XX 0.04522 -0.00402 -0.00734 0.01816 0.05161 41 4YY 0.02330 -0.01393 0.00601 -0.00747 -0.01130 42 4ZZ -0.01881 0.01366 -0.00355 0.00556 0.02846 43 4XY 0.02607 0.00588 0.00153 -0.00807 0.02834 44 4XZ 0.05179 -0.00063 -0.01028 0.00481 -0.01873 45 4YZ 0.00027 0.00956 -0.00193 -0.00109 0.02272 46 4 C 1S 0.01214 -0.00133 -0.00581 0.01081 0.00559 47 2S -0.05980 0.00036 0.07165 -0.12912 -0.06131 48 2PX -0.35439 -0.08530 -0.00882 0.14085 -0.03840 49 2PY 0.21161 0.16106 0.00666 -0.20065 -0.13982 50 2PZ 0.14061 0.03826 -0.01289 -0.04818 0.05727 51 3S -0.22483 -0.26150 -0.07652 0.30795 -0.57554 52 3PX 1.09119 0.32190 -0.02505 -0.15514 0.82175 53 3PY -0.52926 -0.32143 0.07702 0.21672 0.24984 54 3PZ -0.34963 -0.15905 0.02264 0.21419 -0.08826 55 4XX 0.01606 -0.01966 0.00890 -0.00415 -0.02050 56 4YY -0.05027 -0.01354 0.00225 0.01235 -0.00342 57 4ZZ 0.01883 0.02104 -0.00414 -0.01251 -0.00153 58 4XY -0.02150 -0.00045 0.00881 -0.02507 -0.02099 59 4XZ -0.06150 -0.02115 0.00571 0.02729 0.00615 60 4YZ -0.00120 0.02925 0.00248 -0.03572 -0.00808 61 5 C 1S -0.00599 0.00351 0.00517 -0.01071 0.00777 62 2S 0.03103 -0.15920 -0.01167 0.15642 0.15423 63 2PX 0.17581 0.02787 -0.02416 -0.00142 0.07614 64 2PY -0.04763 -0.14818 0.07013 -0.12476 -0.23143 65 2PZ -0.03488 -0.05298 0.01026 -0.02433 0.00278 66 3S -0.57994 0.82090 -0.11309 -0.19227 -0.69951 67 3PX -0.93560 0.11465 0.02581 0.11299 -0.37252 68 3PY 0.03189 0.53591 -0.23222 0.38369 0.37653 69 3PZ 0.02239 -0.00406 -0.04838 0.23536 0.08678 70 4XX -0.00874 0.03079 -0.01298 0.01153 0.00357 71 4YY -0.02800 -0.01870 0.00978 -0.01874 -0.01108 72 4ZZ 0.00995 -0.02373 0.00557 0.01947 0.03233 73 4XY -0.01523 -0.00562 -0.00321 0.03037 0.00148 74 4XZ -0.04643 -0.00722 0.00542 -0.01368 -0.02827 75 4YZ 0.02078 -0.00360 -0.00662 0.02470 0.01662 76 6 C 1S 0.00403 -0.00348 -0.00074 0.00545 0.00051 77 2S -0.08720 -0.01932 0.01819 0.05455 -0.02098 78 2PX -0.04988 -0.05591 -0.01536 0.00359 -0.10040 79 2PY 0.09069 -0.18849 0.02495 0.04635 -0.00173 80 2PZ -0.30902 0.00804 -0.03402 0.15677 -0.12113 81 3S 1.00312 -0.13057 -0.01395 0.10540 0.23869 82 3PX 0.19073 0.54078 -0.13486 0.37289 0.04468 83 3PY -0.94338 0.98179 -0.12432 -0.23842 -0.28951 84 3PZ 0.88807 -0.19313 0.12731 -0.37359 0.41493 85 4XX 0.02000 0.01640 -0.00181 0.01685 -0.00120 86 4YY 0.01537 -0.02552 -0.00064 0.01281 0.01917 87 4ZZ -0.02031 0.00372 0.00368 -0.01381 -0.00870 88 4XY 0.00211 0.00483 -0.00457 0.00331 0.00400 89 4XZ 0.02256 0.00930 0.01057 -0.03126 0.01703 90 4YZ -0.00144 -0.02530 -0.01544 0.04852 0.02137 91 7 C 1S -0.00550 0.02169 -0.00530 0.00308 -0.00124 92 2S 0.02513 0.01990 -0.00971 0.09414 0.03644 93 2PX -0.08265 0.16596 -0.05952 0.00053 -0.12999 94 2PY -0.07290 0.42739 -0.09870 0.03898 0.00756 95 2PZ 0.10499 -0.05227 -0.00088 -0.02349 0.05259 96 3S -0.37458 -0.73276 0.24474 -0.48090 -0.10132 97 3PX 0.75573 -1.01357 0.19345 0.33696 0.15410 98 3PY 0.16178 -1.37003 0.35712 -0.35210 0.41454 99 3PZ -0.54063 0.27949 -0.12196 0.10940 -0.26678 100 4XX -0.01373 -0.04687 0.00743 0.00471 -0.03451 101 4YY -0.00658 0.08370 -0.01529 0.01089 0.03091 102 4ZZ 0.01270 -0.03669 0.00727 -0.00360 0.00238 103 4XY 0.00411 -0.00856 0.00709 -0.00950 0.01872 104 4XZ -0.00806 -0.00819 -0.00656 0.01320 -0.00234 105 4YZ 0.02203 -0.00973 0.01663 -0.02594 -0.00508 106 8 C 1S 0.00576 -0.02021 0.00297 0.00390 -0.01455 107 2S -0.04360 -0.11698 0.08187 -0.16857 0.25126 108 2PX -0.00006 0.12205 -0.04720 0.04747 -0.09474 109 2PY -0.10866 -0.02059 0.06602 -0.27291 0.37974 110 2PZ 0.03691 -0.01879 -0.03479 -0.08220 -0.04711 111 3S -0.76353 1.99943 -0.55634 0.31619 -0.33965 112 3PX -0.12146 -0.45316 0.20631 -0.29098 0.65749 113 3PY 0.71778 -0.85597 0.07286 0.62667 -0.96685 114 3PZ -0.00611 0.25897 0.06772 0.15066 0.09378 115 4XX -0.01875 0.01862 0.00602 -0.03564 0.06090 116 4YY -0.00272 0.00295 -0.00827 0.03027 -0.05982 117 4ZZ 0.00021 -0.01458 0.00813 -0.01953 0.03543 118 4XY 0.00114 0.00533 -0.00089 -0.00108 -0.01518 119 4XZ 0.00437 -0.00840 -0.00103 0.00887 0.00108 120 4YZ 0.01978 0.00443 0.01076 -0.02109 0.02929 121 9 C 1S -0.01015 0.03181 -0.00810 0.00600 0.00348 122 2S 0.02585 -0.41553 0.14661 -0.21558 0.11327 123 2PX 0.07112 -0.29175 0.11618 -0.09102 0.00581 124 2PY 0.13393 -0.46540 0.16096 -0.15924 0.11538 125 2PZ -0.04965 0.13773 0.07401 0.14727 -0.02333 126 3S 0.56809 0.08513 -0.16771 0.60690 -0.63101 127 3PX -0.66252 1.58228 -0.44093 0.14679 0.34227 128 3PY -0.45371 1.38266 -0.46386 0.46101 -0.47273 129 3PZ 0.15749 -0.54437 -0.08032 -0.31242 -0.01601 130 4XX 0.00625 0.00759 -0.00227 0.01636 -0.02215 131 4YY 0.00626 -0.03774 0.01683 -0.02930 0.03315 132 4ZZ 0.00304 -0.04157 0.00898 -0.01663 0.00605 133 4XY -0.01419 0.05911 -0.01746 0.02353 -0.00688 134 4XZ 0.00560 -0.01709 0.01520 -0.01472 0.00703 135 4YZ 0.00930 -0.00860 0.00795 -0.00549 -0.00034 136 10 C 1S -0.00077 -0.01233 0.00319 -0.00206 -0.00527 137 2S 0.04849 -0.27328 0.08303 -0.09181 0.04028 138 2PX -0.09957 0.15465 -0.04425 0.03421 -0.03121 139 2PY 0.02601 -0.01267 0.00313 -0.01233 0.05618 140 2PZ -0.03763 -0.04176 0.01166 0.01621 -0.02443 141 3S -0.31011 0.89748 -0.30308 0.41947 -0.58226 142 3PX 0.62236 -1.26092 0.41391 -0.35983 0.36259 143 3PY -0.15304 0.17937 -0.01575 0.04400 -0.12304 144 3PZ 0.04703 0.27622 0.12092 0.11777 0.00594 145 4XX -0.00017 -0.01934 0.02651 0.00714 -0.01477 146 4YY -0.00488 -0.03066 0.00373 -0.00942 -0.01421 147 4ZZ 0.00324 0.00069 -0.01768 -0.00495 0.00584 148 4XY 0.01095 -0.06212 0.01893 0.00946 -0.05249 149 4XZ 0.00584 0.02966 0.06469 0.02498 0.01094 150 4YZ -0.00461 0.01294 -0.02507 -0.00817 0.01220 151 11 C 1S -0.00335 0.00465 -0.00175 0.00245 -0.00351 152 2S 0.03664 -0.20329 0.05659 -0.04996 -0.04369 153 2PX 0.05330 -0.12886 0.17623 -0.00315 0.02115 154 2PY 0.02087 -0.10520 0.14452 0.02210 -0.05682 155 2PZ 0.07426 0.19492 0.70994 0.28591 -0.00763 156 3S -0.33196 0.94158 -0.26416 0.22295 0.00379 157 3PX 0.06740 -0.05183 -0.20978 -0.06312 0.05434 158 3PY -0.07917 0.34070 -0.29412 0.04833 -0.00097 159 3PZ -0.19489 -0.31201 -1.15195 -0.46276 -0.01682 160 4XX -0.01032 -0.00446 -0.04453 -0.02391 0.00865 161 4YY 0.00087 -0.02271 -0.02265 -0.00308 -0.02889 162 4ZZ 0.00862 0.00532 0.07303 0.02148 0.01131 163 4XY 0.00050 0.00771 -0.04084 -0.02053 0.02052 164 4XZ -0.00932 -0.03176 -0.13651 -0.05440 0.00181 165 4YZ 0.00067 -0.01541 -0.08782 -0.04321 0.00961 166 12 H 1S -0.02564 -0.00852 -0.01321 0.06322 -0.15684 167 2S 0.00472 0.13888 -0.02981 -0.01839 0.12827 168 13 H 1S 0.01760 0.19536 0.60185 0.26059 0.00324 169 2S -0.10363 -0.51796 -1.22156 -0.56506 -0.07101 170 14 H 1S -0.06007 -0.03872 -0.64251 -0.24039 0.04685 171 2S 0.14925 -0.00376 1.36046 0.47427 -0.11758 172 15 O 1S -0.00150 0.00148 -0.00114 0.00333 -0.00630 173 2S -0.04530 0.22124 -0.06508 0.05210 0.02234 174 2PX 0.02675 -0.16243 0.07273 -0.01026 -0.07117 175 2PY 0.01299 -0.10477 0.04002 0.03314 -0.12473 176 2PZ 0.02719 0.08847 0.15968 0.02933 0.03230 177 3S 0.26469 -0.81561 0.26274 -0.29758 0.23523 178 3PX -0.04861 0.21318 -0.08387 -0.00824 0.15195 179 3PY 0.05086 0.04720 -0.01121 -0.10615 0.29636 180 3PZ -0.05883 -0.09936 -0.17350 -0.01448 -0.08499 181 4XX -0.01170 0.06334 -0.02069 0.00628 0.02647 182 4YY -0.00555 0.06367 -0.01737 0.00641 0.03111 183 4ZZ -0.02229 0.09915 -0.02533 0.03172 -0.00782 184 4XY -0.00023 0.00895 -0.00507 0.00057 0.00498 185 4XZ -0.00253 0.00415 -0.01535 -0.00035 -0.00690 186 4YZ -0.00699 0.00274 -0.00567 0.00367 -0.00947 187 16 H 1S -0.09376 0.36735 -0.11775 0.14140 -0.04177 188 2S 0.46832 -1.69206 0.51455 -0.55084 0.15624 189 17 H 1S 0.03720 -0.06857 -0.03252 0.15135 -0.30502 190 2S -0.29187 0.24520 0.10095 -0.61109 1.01954 191 18 H 1S -0.04658 0.38355 -0.08801 0.06138 0.09726 192 2S 0.22014 -0.98659 0.24805 -0.21549 0.15111 193 19 C 1S -0.00145 -0.01045 0.00376 0.00472 -0.00070 194 2S 0.03482 0.02908 0.00559 -0.09845 0.12530 195 2PX -0.02264 -0.19900 0.06946 -0.04547 0.18769 196 2PY -0.05985 -0.04329 -0.00789 0.01733 0.05006 197 2PZ -0.00633 -0.22354 -0.17418 0.53205 0.14934 198 3S 0.41691 -0.41381 0.03019 0.25035 -0.03841 199 3PX -0.04770 0.27747 -0.10096 -0.00564 -0.13108 200 3PY -0.16534 0.34619 -0.03458 -0.15463 -0.08502 201 3PZ -0.32157 0.28261 0.21910 -0.65980 -0.43234 202 4XX 0.00889 -0.01914 -0.01737 0.05552 -0.03066 203 4YY 0.02520 -0.00546 0.00479 -0.01314 -0.00064 204 4ZZ -0.02112 0.01232 0.01784 -0.05453 0.05519 205 4XY 0.00580 0.02832 -0.01931 0.03663 -0.03350 206 4XZ -0.04891 -0.05664 -0.03857 0.10498 0.05227 207 4YZ -0.01040 0.03386 0.02706 -0.07603 -0.01338 208 20 H 1S 0.11279 -0.00247 -0.05277 0.21070 -0.26618 209 2S -0.12581 -0.24245 0.15326 -0.23726 0.25773 210 21 H 1S -0.18718 -0.29844 -0.11337 0.42786 0.23653 211 2S -0.00415 0.52302 0.21588 -0.78709 -0.50712 212 22 H 1S 0.05315 0.14404 0.23325 -0.52656 -0.01663 213 2S 0.08693 -0.31788 -0.38093 0.98616 0.26118 214 23 H 1S 0.17006 0.06322 0.00655 -0.02300 0.13516 215 2S -0.40589 -0.22813 0.12908 -0.20705 -0.30969 216 24 H 1S -0.13193 0.00921 0.06125 -0.20827 -0.08855 217 2S 0.37508 0.14151 -0.16350 0.43093 0.51549 218 25 H 1S 0.31985 0.12039 -0.06204 -0.05758 -0.00367 219 2S -0.82847 -0.35143 0.08977 0.27821 -0.12628 220 26 H 1S -0.10070 -0.13378 -0.04178 0.23043 0.03818 221 2S 0.53801 0.31371 -0.01924 -0.31235 0.01120 222 27 H 1S 0.03711 -0.10010 0.02571 -0.02645 -0.25594 223 2S 0.66148 0.35511 -0.12593 0.20956 1.49816 224 28 C 1S -0.01561 -0.00438 0.00023 0.00254 0.00311 225 2S 0.00166 0.03639 0.00426 -0.07105 -0.09848 226 2PX 0.14649 0.00262 -0.01506 0.02061 0.10745 227 2PY 0.08347 0.00090 -0.02260 0.01585 -0.01746 228 2PZ 0.25581 -0.00646 -0.09932 0.13628 -0.17271 229 3S -0.16593 0.05276 -0.01095 0.08077 0.30961 230 3PX -0.32939 0.08410 0.03347 -0.18587 -0.37169 231 3PY 0.20242 0.06972 0.01333 -0.07263 -0.06466 232 3PZ -0.29648 -0.00382 0.09620 -0.12823 0.19720 233 4XX 0.02340 -0.00191 -0.00809 0.02449 0.03742 234 4YY -0.05464 0.00180 0.00167 -0.00297 -0.01251 235 4ZZ 0.01360 0.00661 0.00779 -0.03488 -0.03761 236 4XY 0.00742 -0.00604 -0.01145 0.02907 -0.00695 237 4XZ 0.08792 0.00755 -0.02705 0.02088 -0.05595 238 4YZ -0.00655 0.00253 0.00802 -0.01682 -0.00354 239 29 H 1S -0.17132 -0.06250 -0.02615 0.14626 0.09979 240 2S 0.13256 -0.05125 0.02998 -0.05889 0.03732 241 30 H 1S 0.27780 -0.01318 -0.09158 0.07722 -0.20850 242 2S -0.64217 0.01287 0.16717 -0.23020 0.12955 243 31 H 1S -0.37437 -0.04218 0.12009 -0.14911 0.12261 244 2S 0.27853 0.02818 -0.16834 0.18095 -0.40979 245 32 H 1S 0.02410 -0.02637 0.03853 -0.12537 -0.24697 246 2S -0.19956 0.08753 -0.00647 -0.00959 0.05738 247 33 H 1S -0.38299 0.02061 0.08712 -0.13053 0.11101 248 2S 0.51192 -0.05981 -0.13540 0.24768 -0.00952 249 34 H 1S 0.19919 -0.04387 -0.08087 0.13715 -0.09610 250 2S -0.35282 0.02641 0.12951 -0.19714 0.27486 131 132 133 134 135 V V V V V Eigenvalues -- 0.89188 0.89771 0.90098 0.90647 0.91605 1 1 C 1S -0.01667 -0.00909 0.00365 0.00332 0.00205 2 2S 0.16835 -0.04868 -0.10752 0.00794 -0.15152 3 2PX 0.13265 0.05094 -0.03399 -0.10016 0.08192 4 2PY -0.20703 -0.00433 0.15018 -0.10132 -0.05565 5 2PZ 0.02492 0.02947 0.12927 -0.55762 -0.19142 6 3S -0.46405 0.44991 0.59503 -0.06609 0.59685 7 3PX -0.06788 0.06435 0.23516 0.15377 -0.00291 8 3PY 0.07004 0.12322 -0.11619 0.15569 0.18754 9 3PZ 0.00126 0.10645 -0.33907 0.86810 0.19574 10 4XX -0.02714 -0.00562 0.00157 -0.02370 -0.00657 11 4YY -0.07132 -0.04253 0.02488 0.03152 -0.02712 12 4ZZ 0.10545 0.03477 -0.03211 -0.00194 0.01580 13 4XY 0.07673 0.03678 0.01342 -0.05423 0.01244 14 4XZ -0.00825 -0.00111 0.03360 -0.14119 -0.05186 15 4YZ 0.05510 -0.00106 -0.01298 0.00167 0.02686 16 2 C 1S 0.00152 0.00333 0.00116 0.00015 -0.00272 17 2S -0.08092 -0.06921 0.03298 0.01624 -0.02415 18 2PX 0.05467 -0.03853 -0.11699 -0.03423 -0.04401 19 2PY -0.01770 0.00783 -0.10592 -0.01686 -0.10675 20 2PZ -0.01480 0.19876 -0.01299 -0.08688 -0.06295 21 3S 0.41012 0.42803 -0.37810 -0.15998 -0.05485 22 3PX -0.17717 0.46442 0.41046 0.00466 0.25643 23 3PY -0.22017 0.25272 0.45707 -0.05037 0.51246 24 3PZ 0.11831 -0.59463 -0.02132 0.28100 0.10807 25 4XX -0.00613 0.02609 -0.00276 -0.00170 -0.00270 26 4YY 0.00324 0.00386 -0.01761 0.03077 0.00193 27 4ZZ -0.00566 -0.02610 0.01668 -0.03010 -0.00390 28 4XY -0.02074 -0.00178 0.01569 0.01239 0.00938 29 4XZ 0.00741 -0.01721 -0.00680 0.01288 0.00099 30 4YZ -0.00637 0.03164 -0.02213 0.06739 0.01566 31 3 C 1S -0.00561 0.00688 0.00839 -0.00600 0.00853 32 2S 0.13116 -0.01567 -0.05199 -0.04522 -0.21021 33 2PX -0.03857 -0.11628 0.02345 0.00669 -0.03300 34 2PY -0.33162 -0.00032 -0.02886 -0.03987 0.16323 35 2PZ 0.12932 -0.20732 -0.03174 0.09735 0.05647 36 3S -0.15944 -0.83538 0.16049 0.33358 0.41061 37 3PX 0.37312 0.26237 -0.07231 0.03705 -0.00437 38 3PY 1.07222 -0.53714 -0.11266 0.25328 -0.48085 39 3PZ -0.40444 0.63316 -0.01254 -0.37614 -0.17123 40 4XX 0.00980 -0.02715 0.01206 0.00903 -0.02839 41 4YY 0.01132 -0.00544 0.02321 -0.01588 0.03983 42 4ZZ 0.00342 0.01207 -0.01749 0.00488 -0.03271 43 4XY -0.01269 -0.03488 0.01790 0.01688 -0.01084 44 4XZ 0.00900 -0.00217 -0.00086 0.00413 0.02050 45 4YZ 0.01023 -0.03285 -0.01053 0.01778 -0.00119 46 4 C 1S 0.00462 -0.01105 -0.01067 0.00385 0.00148 47 2S -0.11381 -0.06875 0.08606 -0.13593 -0.19306 48 2PX -0.00553 0.24452 0.09023 -0.09537 -0.12989 49 2PY 0.04828 -0.11233 -0.34226 -0.08554 -0.00415 50 2PZ 0.05213 -0.16892 -0.04976 0.05859 0.09652 51 3S -0.37853 0.53577 -0.12372 0.07010 0.48881 52 3PX 0.31833 -0.86300 -0.13356 0.44660 0.27487 53 3PY 0.07617 -0.07691 0.78270 0.29679 0.03996 54 3PZ -0.06211 0.43648 0.04200 -0.03104 -0.06224 55 4XX -0.02964 0.00966 0.03734 -0.01995 0.01066 56 4YY -0.02000 0.03402 0.02709 0.00627 -0.02353 57 4ZZ 0.02052 -0.04903 -0.07411 -0.01699 -0.01523 58 4XY -0.02826 -0.01822 -0.02751 -0.01931 -0.03125 59 4XZ -0.01318 0.05571 0.03490 -0.03374 -0.02653 60 4YZ 0.02585 -0.02346 -0.08979 0.01176 0.00114 61 5 C 1S -0.00173 0.00120 0.01693 0.00840 0.00136 62 2S -0.07299 -0.15882 -0.29231 -0.23661 0.02480 63 2PX -0.18752 0.06932 0.15452 0.07385 0.09510 64 2PY 0.31524 -0.31879 -0.09211 0.03889 0.03771 65 2PZ 0.04305 -0.09369 -0.14074 -0.12935 -0.03048 66 3S 0.41024 0.30664 0.46003 0.35220 -0.56995 67 3PX 0.54005 0.38011 -0.29485 -0.26581 -0.39438 68 3PY -0.53079 0.56600 -0.16216 -0.07077 -0.30488 69 3PZ -0.09629 0.18255 0.05571 0.26110 0.16081 70 4XX 0.00102 -0.02747 -0.07314 -0.02041 -0.01566 71 4YY 0.02375 0.01104 -0.01018 0.00359 -0.00425 72 4ZZ -0.03535 0.00220 0.04952 -0.02125 0.00760 73 4XY 0.00266 0.00225 0.01128 -0.02817 -0.00413 74 4XZ 0.02316 0.00340 -0.07690 -0.03506 -0.02942 75 4YZ -0.03462 0.04778 0.06784 -0.01559 0.01508 76 6 C 1S 0.00592 -0.00473 -0.00762 -0.00059 -0.00080 77 2S 0.04118 -0.07650 -0.07117 -0.08049 -0.02203 78 2PX -0.07826 0.16048 -0.10281 -0.10711 0.08967 79 2PY 0.03247 -0.12476 -0.08094 0.05622 0.03188 80 2PZ 0.01405 0.12726 -0.24360 -0.07062 -0.07608 81 3S 0.14189 -1.02036 0.70206 0.57264 0.33571 82 3PX 0.54244 -0.93894 0.25588 0.48721 -0.49113 83 3PY 0.14008 0.82513 0.09804 -0.28491 -0.38303 84 3PZ -0.13379 -0.42873 0.57780 0.20198 0.31204 85 4XX 0.03386 -0.05251 0.02467 0.02073 0.00453 86 4YY -0.01906 -0.02972 -0.03471 -0.01051 0.00699 87 4ZZ -0.00027 0.02866 -0.00814 -0.01163 -0.00579 88 4XY -0.00653 -0.01329 0.00468 0.00972 0.00823 89 4XZ -0.00291 -0.00017 0.03488 0.02273 0.01544 90 4YZ -0.01643 -0.02174 0.00953 0.02236 0.00639 91 7 C 1S 0.00117 -0.00240 -0.00079 -0.00025 -0.00714 92 2S 0.05699 -0.03165 0.05469 -0.02718 0.04645 93 2PX -0.00495 0.00286 -0.12856 -0.02737 -0.00926 94 2PY 0.07113 -0.08055 0.03169 0.16796 -0.17225 95 2PZ -0.02733 0.00013 0.00698 0.00744 0.05396 96 3S -0.25554 1.06493 0.05135 -0.15270 -0.25854 97 3PX 0.33867 -0.75248 0.62657 0.36917 0.06228 98 3PY -0.64457 0.64632 -0.22855 -0.63989 0.54884 99 3PZ 0.08329 0.18318 -0.26825 -0.10600 -0.20186 100 4XX 0.01669 0.02735 0.00081 -0.01273 0.00641 101 4YY -0.00760 -0.00144 0.02096 0.00511 -0.02979 102 4ZZ -0.00214 -0.00659 -0.00548 -0.00162 0.02542 103 4XY 0.00709 -0.01531 -0.00338 0.01523 -0.01936 104 4XZ -0.00520 -0.00426 -0.02108 -0.01097 -0.00046 105 4YZ 0.00786 -0.00977 0.01451 0.00361 0.02089 106 8 C 1S 0.01032 -0.00469 0.00502 0.00359 0.00998 107 2S -0.07881 0.12115 -0.08589 0.01466 -0.23516 108 2PX 0.08202 -0.08014 0.02427 0.01962 -0.03718 109 2PY -0.32375 0.23203 -0.27096 -0.22871 0.01078 110 2PZ 0.07044 -0.02381 0.09703 0.02231 0.00477 111 3S -0.11209 0.11305 -0.22824 -0.10361 -0.04757 112 3PX -0.56537 0.60085 -0.10271 -0.21959 -0.18379 113 3PY 1.07413 -0.85328 0.93880 0.81719 -0.12590 114 3PZ -0.14359 -0.01400 -0.17475 -0.02279 0.08705 115 4XX -0.03605 0.02538 -0.03626 -0.00819 -0.03155 116 4YY 0.04328 -0.01529 0.03031 0.02392 0.01554 117 4ZZ -0.02338 0.01264 -0.01654 -0.01548 -0.01245 118 4XY 0.01407 -0.00526 -0.00696 0.01037 -0.01542 119 4XZ -0.00330 -0.00267 0.00742 0.00082 0.00886 120 4YZ -0.01511 -0.00115 0.01150 -0.00008 0.00489 121 9 C 1S -0.00372 -0.00001 -0.00020 -0.00087 -0.00487 122 2S 0.01366 0.10985 -0.11269 0.04377 -0.40215 123 2PX 0.10779 0.03494 -0.03813 0.09911 -0.29925 124 2PY -0.06464 0.10308 -0.08209 -0.05212 0.07755 125 2PZ -0.03092 -0.01415 -0.02297 -0.01066 0.03795 126 3S 0.42250 -0.78360 0.63631 0.22575 0.73955 127 3PX -0.60863 0.26987 -0.16228 -0.38971 0.22472 128 3PY 0.26483 -0.35417 0.05762 0.05695 0.26562 129 3PZ 0.13036 0.01424 0.08392 0.03172 -0.09315 130 4XX 0.02799 -0.01871 0.02148 0.02068 -0.02780 131 4YY -0.02364 0.01800 -0.01659 -0.00884 -0.03919 132 4ZZ -0.00077 0.01042 -0.01475 -0.00242 0.00088 133 4XY -0.00887 -0.00142 0.01650 -0.00229 0.00958 134 4XZ -0.00271 0.00534 -0.00670 -0.00500 0.00513 135 4YZ 0.00535 -0.00332 0.00247 0.00430 0.00784 136 10 C 1S 0.00599 -0.00063 -0.00156 0.00103 0.00009 137 2S -0.02158 0.02456 -0.03569 -0.03915 0.07697 138 2PX 0.00668 0.03950 -0.02184 0.00143 -0.08458 139 2PY -0.09014 0.03217 -0.00934 -0.05255 0.03529 140 2PZ 0.01548 0.00662 -0.02201 -0.01047 -0.00215 141 3S 0.49887 -0.32129 0.12562 0.27842 -0.22386 142 3PX -0.17767 -0.00248 -0.00624 -0.07614 0.30892 143 3PY 0.13825 -0.03357 -0.10385 -0.00365 0.38227 144 3PZ -0.01559 -0.03812 0.05825 0.06431 -0.08201 145 4XX 0.01065 -0.00119 -0.00420 -0.00186 0.01427 146 4YY 0.02324 -0.00792 -0.00356 0.01081 -0.01806 147 4ZZ -0.00651 0.00152 0.00417 -0.00149 0.00324 148 4XY 0.05438 -0.01954 0.01372 0.02356 -0.00465 149 4XZ -0.01540 0.00554 -0.00524 -0.00445 -0.00204 150 4YZ -0.01397 0.00649 -0.00127 -0.00863 0.00345 151 11 C 1S 0.00267 -0.00019 0.00095 0.00196 -0.00847 152 2S 0.07716 -0.00197 -0.02558 0.02779 0.01120 153 2PX -0.00404 0.01665 -0.02240 0.00448 -0.06070 154 2PY 0.10670 -0.00726 0.04055 0.12657 -0.54645 155 2PZ -0.04660 0.00959 -0.04779 -0.01939 0.09159 156 3S -0.14472 0.04485 0.02853 -0.06314 -0.07372 157 3PX -0.05055 -0.04018 0.05289 -0.02385 0.10967 158 3PY -0.09366 -0.02809 0.00622 -0.10852 0.50088 159 3PZ 0.08524 0.01411 0.04210 -0.00434 -0.10709 160 4XX -0.00678 0.00840 -0.00697 -0.00885 0.02234 161 4YY 0.03976 -0.01343 0.02380 0.03894 -0.14288 162 4ZZ -0.02118 0.00740 -0.02155 -0.02616 0.11885 163 4XY -0.01667 0.00322 -0.00096 -0.00735 0.00937 164 4XZ 0.00660 -0.00447 0.00972 -0.00200 0.02146 165 4YZ -0.00236 -0.00299 0.00760 -0.00660 0.04859 166 12 H 1S 0.19190 -0.05911 0.10421 0.19192 -0.72511 167 2S -0.20282 0.03746 -0.12519 -0.23906 1.06339 168 13 H 1S -0.07441 0.03099 -0.08088 -0.06746 0.23966 169 2S 0.21906 -0.03637 0.12127 0.12636 -0.46053 170 14 H 1S -0.02470 -0.00735 0.02681 -0.04984 0.25507 171 2S 0.09660 0.01105 -0.07071 0.12685 -0.47020 172 15 O 1S 0.00636 -0.00304 0.00225 0.00412 -0.00963 173 2S -0.07795 0.02886 0.00637 -0.03451 0.00509 174 2PX 0.09176 -0.03358 0.00617 0.02842 0.07343 175 2PY 0.10083 -0.04747 0.02121 0.01866 0.09541 176 2PZ -0.02775 0.00439 0.01394 -0.00099 -0.02235 177 3S -0.07690 0.04505 -0.10754 -0.08738 0.37516 178 3PX -0.19610 0.09670 -0.05759 -0.10606 0.04652 179 3PY -0.26863 0.11404 -0.05262 -0.09702 -0.05092 180 3PZ 0.07569 -0.01474 -0.01333 0.01489 -0.01379 181 4XX -0.03864 0.01321 -0.00239 -0.01525 -0.00677 182 4YY -0.04307 0.01546 -0.00359 -0.01962 0.01339 183 4ZZ -0.01320 0.00524 0.00843 -0.00025 -0.03451 184 4XY -0.00698 0.00096 0.00131 -0.00340 0.00459 185 4XZ 0.00689 -0.00341 0.00433 0.00528 -0.00605 186 4YZ 0.00735 -0.00091 0.00068 0.00307 -0.01036 187 16 H 1S -0.05075 -0.02357 0.07083 -0.03310 0.04548 188 2S 0.19243 0.17018 -0.15343 0.15784 -0.44825 189 17 H 1S 0.21277 -0.10126 0.14590 0.11753 0.14287 190 2S -0.93876 0.65453 -0.71603 -0.64905 -0.05548 191 18 H 1S -0.03505 -0.01564 0.09736 0.05080 -0.14748 192 2S -0.31825 0.24404 -0.19754 -0.39634 0.59113 193 19 C 1S 0.00871 -0.00427 0.02360 0.00737 0.00491 194 2S -0.17683 -0.18607 -0.47280 -0.22867 -0.08202 195 2PX -0.00296 0.05837 0.22789 0.12035 0.03180 196 2PY -0.08496 0.02267 -0.12941 -0.04331 -0.06210 197 2PZ -0.16558 -0.25245 -0.12069 0.10653 0.02903 198 3S 0.26546 -0.02382 0.69484 0.53781 0.30316 199 3PX -0.25673 0.28337 -0.52052 -0.28286 -0.01432 200 3PY 0.01778 0.40077 0.09310 -0.10715 0.02352 201 3PZ 0.33377 0.52238 -0.03522 -0.26101 -0.12532 202 4XX 0.00319 -0.05704 -0.01396 -0.01886 0.01033 203 4YY -0.01340 -0.02746 -0.06402 -0.02801 -0.00379 204 4ZZ -0.01659 0.04716 0.01335 0.01582 -0.01587 205 4XY -0.00141 0.00131 0.00953 -0.01141 0.00904 206 4XZ -0.03976 -0.02214 -0.05022 0.02857 -0.00265 207 4YZ 0.02524 0.05024 0.01332 -0.01048 -0.00896 208 20 H 1S 0.13428 -0.23390 0.17350 -0.02360 0.11975 209 2S 0.10792 -0.09232 0.05035 0.20414 -0.15795 210 21 H 1S -0.06161 -0.10177 0.08271 0.22950 0.03138 211 2S 0.11192 0.40529 -0.26627 -0.53656 -0.13199 212 22 H 1S 0.22840 0.22005 0.43136 0.07739 0.01224 213 2S -0.51040 -0.63407 -0.64179 -0.01975 0.02768 214 23 H 1S -0.17851 0.13121 0.47925 0.16093 0.09959 215 2S 0.54194 -0.37020 -0.71912 -0.37912 -0.15783 216 24 H 1S 0.16997 -0.08568 -0.07762 0.14383 -0.05709 217 2S -0.64615 0.24154 0.12932 -0.25084 0.01152 218 25 H 1S 0.13264 -0.22101 -0.33240 0.15728 0.16649 219 2S -0.29916 0.67793 0.73662 -0.26300 -0.38263 220 26 H 1S -0.03379 0.14063 0.23709 0.08559 0.05288 221 2S 0.21912 -0.35064 -0.79357 -0.15433 -0.02581 222 27 H 1S -0.00546 0.09262 0.08963 -0.09306 0.22525 223 2S 0.58406 -0.44584 -0.10867 0.26975 -0.57970 224 28 C 1S -0.00013 0.00007 0.00821 0.00443 0.00117 225 2S 0.11451 -0.00855 -0.29581 -0.12545 -0.01560 226 2PX -0.15489 -0.14790 0.01527 0.12208 -0.09890 227 2PY -0.05489 0.05724 -0.11758 0.08015 -0.05026 228 2PZ -0.04903 0.46328 -0.16979 0.33250 0.00516 229 3S -0.21757 -0.16645 0.44667 0.31481 -0.16479 230 3PX 0.07579 0.00591 -0.26040 -0.17920 0.00192 231 3PY 0.12063 -0.07877 0.01795 -0.24693 0.05423 232 3PZ 0.07512 -0.57953 0.27196 -0.68279 -0.10683 233 4XX 0.05101 0.04085 0.00247 0.00079 0.01307 234 4YY 0.04575 0.01733 -0.03372 -0.04227 0.00052 235 4ZZ -0.07746 -0.06519 -0.01412 0.02558 -0.01875 236 4XY 0.06213 0.08739 -0.00566 -0.00163 0.03255 237 4XZ -0.04624 0.09451 -0.06242 0.08501 -0.02407 238 4YZ -0.04395 -0.04644 0.01865 -0.02358 -0.02557 239 29 H 1S 0.37827 0.30441 0.09862 -0.07411 0.18044 240 2S -0.56147 -0.37815 0.09398 0.18124 -0.21696 241 30 H 1S -0.31040 0.24653 -0.11009 0.39938 -0.09635 242 2S 0.45641 -0.57211 0.12230 -0.93811 0.09653 243 31 H 1S -0.19855 -0.55883 0.30357 -0.16940 -0.04228 244 2S 0.21186 1.01161 -0.64034 0.52835 0.11940 245 32 H 1S -0.57989 -0.22254 0.11934 0.12972 -0.09621 246 2S 0.77110 0.22095 -0.29364 -0.21422 0.16361 247 33 H 1S 0.15798 0.02219 -0.13577 0.45919 0.27280 248 2S -0.21008 -0.17647 0.39115 -0.96503 -0.54263 249 34 H 1S 0.13995 0.07463 0.11407 -0.53657 -0.05642 250 2S -0.18069 -0.08501 -0.26146 1.18085 0.11511 136 137 138 139 140 V V V V V Eigenvalues -- 0.92044 0.93030 0.94245 0.94671 0.95165 1 1 C 1S 0.00284 -0.00251 -0.00171 0.01660 -0.01638 2 2S -0.29206 0.08522 0.00334 -0.54212 0.59549 3 2PX 0.13763 -0.09439 0.07148 0.20710 -0.34465 4 2PY 0.02803 0.11611 -0.08965 0.02580 0.11201 5 2PZ 0.00911 0.20859 0.02185 -0.10291 -0.06098 6 3S 1.01825 -0.28277 -0.07015 0.99833 -0.63779 7 3PX -0.14694 -0.00548 -0.07607 -0.28774 0.52012 8 3PY 0.16438 -0.13332 0.06452 -0.18512 0.38863 9 3PZ -0.19499 -0.31936 -0.01870 0.19544 -0.07887 10 4XX 0.00588 0.01395 -0.01324 -0.04492 0.08331 11 4YY -0.04354 0.02756 -0.01459 -0.04955 0.06655 12 4ZZ -0.00069 -0.03170 0.02602 0.02200 -0.06439 13 4XY 0.01978 -0.01593 0.01561 -0.02071 0.01449 14 4XZ -0.00590 0.05065 -0.00030 -0.00341 -0.03356 15 4YZ 0.02916 -0.02729 0.01209 0.02940 -0.03892 16 2 C 1S -0.00481 0.00196 -0.00065 -0.01485 0.02136 17 2S -0.13590 -0.05216 -0.10789 -0.19064 0.38173 18 2PX -0.08583 -0.04392 0.00251 0.06616 -0.22962 19 2PY -0.11180 0.10063 -0.03296 -0.05159 0.02969 20 2PZ -0.06342 0.03671 0.01353 -0.02189 -0.02728 21 3S 0.31926 0.40822 0.22334 0.20226 -0.45762 22 3PX 0.61270 0.33349 -0.15329 -0.43172 1.58167 23 3PY 0.62251 -0.47860 0.09239 0.21687 -0.19173 24 3PZ -0.00901 -0.14253 -0.02349 0.09457 0.04180 25 4XX 0.00520 0.02337 -0.01326 -0.03824 0.06080 26 4YY -0.02466 -0.02144 -0.00587 -0.02830 0.06483 27 4ZZ 0.01122 0.00722 0.00131 0.01595 -0.03086 28 4XY 0.00374 -0.01266 0.00094 0.00247 -0.00128 29 4XZ -0.00596 -0.00202 -0.00237 0.01026 -0.01055 30 4YZ -0.00536 -0.01960 0.00751 0.02306 -0.02698 31 3 C 1S 0.00642 -0.01433 0.00079 -0.00065 0.00999 32 2S -0.42135 0.00468 -0.09550 -0.14917 0.03209 33 2PX -0.12657 -0.07669 -0.08701 0.03299 0.02984 34 2PY 0.30981 -0.07093 -0.04610 0.07890 0.07957 35 2PZ -0.04571 -0.09819 -0.05188 0.07368 0.03641 36 3S 0.33169 -0.61157 0.38415 0.87501 -0.85592 37 3PX 0.23271 0.40791 0.18616 -0.12798 0.60983 38 3PY -1.00112 0.15815 0.11739 -0.00696 -0.37003 39 3PZ 0.17333 0.34360 0.00295 -0.19181 -0.12492 40 4XX -0.07582 -0.02141 0.00266 -0.00180 -0.03327 41 4YY 0.04109 -0.04882 0.00010 0.01807 0.03749 42 4ZZ -0.03453 0.03571 0.00053 -0.01739 -0.02111 43 4XY -0.02710 -0.00311 0.00800 0.00284 0.01762 44 4XZ 0.03824 0.00155 0.00258 -0.00862 0.00299 45 4YZ 0.00423 0.02030 -0.00092 -0.01095 -0.01366 46 4 C 1S 0.00093 0.00347 -0.01057 0.00286 -0.00388 47 2S -0.49962 -0.38061 0.27211 0.04220 0.01041 48 2PX -0.22613 -0.06268 0.07504 -0.08098 -0.06552 49 2PY 0.15303 0.13482 -0.05856 -0.11356 -0.02757 50 2PZ 0.28117 0.22859 -0.16851 -0.03692 -0.01632 51 3S 1.27670 0.81097 -0.81952 -0.17331 0.00488 52 3PX 0.29776 0.06682 -0.07364 0.30738 0.11207 53 3PY -0.48264 -0.44839 0.26531 0.34796 0.29473 54 3PZ -0.43136 -0.48102 0.22915 0.07365 -0.02076 55 4XX -0.00740 -0.05653 0.02218 0.00808 0.02801 56 4YY -0.04540 0.00029 0.01553 -0.02134 -0.02187 57 4ZZ -0.02138 0.00274 -0.02328 0.02182 -0.00609 58 4XY -0.05937 -0.01495 -0.00600 0.00043 0.00891 59 4XZ -0.05539 -0.01645 0.00615 0.01332 -0.00889 60 4YZ 0.03317 0.03690 -0.00931 -0.02487 -0.01187 61 5 C 1S 0.00032 -0.00174 0.00838 -0.01180 -0.00005 62 2S -0.23553 -0.25355 -0.58671 0.50772 0.11211 63 2PX 0.20091 -0.06559 0.07360 -0.06724 0.04310 64 2PY -0.19263 -0.21724 0.18265 -0.11045 -0.00426 65 2PZ -0.16546 -0.06989 -0.28120 0.27551 0.04770 66 3S 0.27213 1.01923 1.83505 -1.21929 -0.49484 67 3PX -0.45943 0.40164 0.06582 0.07738 -0.24305 68 3PY 0.45844 0.73549 -0.09696 0.13549 -0.13495 69 3PZ 0.39995 0.15793 0.37257 -0.45073 -0.06900 70 4XX -0.00561 -0.00365 -0.03059 0.04134 -0.00420 71 4YY -0.02356 0.03212 -0.03194 -0.01373 -0.01692 72 4ZZ -0.01618 -0.05276 -0.00789 0.03020 0.02833 73 4XY -0.02757 -0.02040 -0.03693 0.06438 0.01201 74 4XZ -0.05100 0.02452 -0.04696 0.00467 -0.02093 75 4YZ 0.04438 -0.00947 0.01505 0.00601 0.00600 76 6 C 1S -0.00158 0.00524 -0.00224 0.01614 0.00016 77 2S -0.15599 -0.10647 -0.01768 0.08811 -0.06385 78 2PX 0.09164 -0.04614 -0.09983 -0.15587 -0.06657 79 2PY 0.00673 0.00777 -0.03740 0.04009 0.04437 80 2PZ 0.04697 0.17130 -0.03794 -0.07767 -0.08665 81 3S -0.10425 -0.60119 0.23504 0.15499 0.57376 82 3PX -0.36444 0.34483 0.82206 0.49647 0.16538 83 3PY -0.01255 0.54916 0.38895 -0.30992 -0.43590 84 3PZ -0.03503 -0.55880 -0.08803 0.23826 0.29494 85 4XX -0.02959 -0.01614 0.00780 0.03505 0.00732 86 4YY 0.00424 -0.03003 0.01099 0.02190 0.00724 87 4ZZ 0.00080 0.01115 -0.01905 -0.02485 -0.01244 88 4XY 0.01059 -0.00755 -0.02266 0.01081 0.00601 89 4XZ 0.02358 -0.00596 0.01826 -0.01140 0.01309 90 4YZ 0.01938 0.00463 0.01906 -0.02223 0.00206 91 7 C 1S -0.00014 0.00200 0.01742 0.00153 -0.00221 92 2S -0.10478 0.22184 0.05005 0.44455 0.09015 93 2PX 0.07202 0.07339 0.03526 -0.04162 -0.04938 94 2PY 0.04657 0.20022 0.12749 -0.08973 -0.08157 95 2PZ 0.06370 -0.00594 -0.03769 0.01401 0.02991 96 3S 0.37892 -0.49991 -0.98510 -1.17473 -0.30145 97 3PX -0.46800 -0.72144 -0.26581 0.24554 0.46921 98 3PY 0.13809 -0.92368 -0.94510 0.02995 0.23831 99 3PZ -0.08018 0.32742 0.16482 -0.11255 -0.21946 100 4XX -0.01617 0.03877 -0.02629 0.02338 -0.00275 101 4YY 0.00772 0.00739 0.05756 0.04341 0.01038 102 4ZZ 0.00027 -0.00436 -0.03162 -0.00487 0.00420 103 4XY -0.00208 0.01117 0.01661 0.01204 0.01352 104 4XZ -0.00745 -0.00754 -0.01079 -0.01252 -0.00959 105 4YZ -0.00341 -0.01608 -0.01917 -0.00062 0.00584 106 8 C 1S -0.00925 0.00718 -0.00247 0.00261 0.00438 107 2S 0.04859 0.20319 0.51308 0.24507 0.15257 108 2PX -0.01699 0.09947 0.16834 0.14996 0.02456 109 2PY 0.10850 -0.15671 0.12371 -0.08082 -0.04366 110 2PZ -0.06826 -0.03199 -0.05748 0.01701 0.01249 111 3S 0.30816 -0.03193 -0.83909 -0.84025 -0.70569 112 3PX 0.33438 -0.91028 -1.10434 -0.62373 -0.01035 113 3PY -0.41568 0.25766 -0.53985 0.33487 0.28779 114 3PZ 0.15421 0.18102 0.31133 0.02068 -0.02976 115 4XX 0.02379 0.01403 0.07261 0.00354 0.00755 116 4YY -0.02724 0.05641 -0.01028 0.02901 0.00925 117 4ZZ 0.00994 -0.02623 0.00885 -0.00462 -0.00177 118 4XY 0.00808 0.04020 0.00610 0.02476 -0.00331 119 4XZ 0.00356 -0.01419 -0.01070 -0.00821 0.00016 120 4YZ 0.01094 -0.02993 0.00537 -0.00380 0.00728 121 9 C 1S 0.00213 0.00117 0.01235 0.00191 -0.00043 122 2S 0.21467 -0.01331 0.31921 -0.00627 0.02861 123 2PX 0.11866 0.27058 0.21513 0.22206 0.03511 124 2PY 0.02425 0.01189 -0.00620 -0.00047 0.03835 125 2PZ -0.00252 -0.03020 -0.03479 -0.05788 -0.02049 126 3S -0.56329 -0.39974 -1.07763 -0.00447 -0.01021 127 3PX 0.10548 -0.88061 -0.58326 -0.83681 -0.30344 128 3PY -0.39151 0.79642 1.12165 0.38901 -0.05294 129 3PZ -0.05175 -0.00585 -0.08380 0.12722 0.06331 130 4XX -0.00110 0.01810 0.05114 0.02823 0.01549 131 4YY 0.03531 -0.06554 -0.04359 -0.04381 -0.01785 132 4ZZ 0.00206 0.02713 0.01904 0.01557 0.00769 133 4XY 0.00081 -0.04396 -0.06199 -0.04304 -0.02191 134 4XZ -0.00359 0.00606 0.00206 0.00831 0.00350 135 4YZ -0.00351 0.02337 0.02382 0.02031 0.01106 136 10 C 1S -0.00118 0.00097 -0.00035 -0.01717 -0.01391 137 2S 0.01270 -0.27091 -0.35817 -0.49517 -0.29268 138 2PX 0.04064 0.11818 0.07404 0.07373 -0.01854 139 2PY 0.03882 -0.20413 -0.26576 -0.07544 -0.00685 140 2PZ -0.02760 0.01773 0.02138 -0.01168 -0.00859 141 3S -0.25304 1.37604 1.86135 1.34714 0.59576 142 3PX -0.03429 -0.54161 -0.60314 -0.01991 0.25207 143 3PY -0.31799 0.94016 1.11953 0.33585 0.02852 144 3PZ 0.11331 -0.05321 -0.04237 -0.03113 -0.01663 145 4XX -0.00645 -0.00477 -0.01524 -0.07090 -0.05778 146 4YY -0.00082 0.01007 0.02549 -0.02123 -0.01488 147 4ZZ 0.00217 -0.00388 -0.01042 0.02117 0.01800 148 4XY -0.01891 0.05902 0.06116 0.02506 0.01086 149 4XZ 0.00622 -0.00808 -0.00913 0.01489 0.01398 150 4YZ 0.00040 -0.01440 -0.01926 0.00391 0.00325 151 11 C 1S 0.00347 0.00611 0.00298 0.02266 0.01563 152 2S -0.02277 0.10529 0.03707 -0.50324 -0.54094 153 2PX 0.04993 -0.10170 -0.10131 -0.25033 -0.20461 154 2PY 0.26004 -0.20986 -0.13780 0.02509 0.03985 155 2PZ -0.02575 0.06483 0.04153 0.02981 0.02654 156 3S 0.05746 -0.07036 0.07639 0.90139 0.95879 157 3PX -0.06666 -0.04336 -0.01261 0.47700 0.46690 158 3PY -0.25359 0.20761 0.06150 -0.02839 -0.11475 159 3PZ -0.01600 -0.04585 -0.02034 -0.06807 -0.07363 160 4XX -0.00669 0.00232 -0.01495 -0.07887 -0.07583 161 4YY 0.06302 -0.05488 -0.04372 -0.00848 -0.01384 162 4ZZ -0.05719 0.07306 0.06075 0.01967 0.01306 163 4XY 0.00015 -0.00794 -0.01097 0.02770 0.02380 164 4XZ -0.01643 0.01273 0.01782 0.01996 0.01666 165 4YZ -0.02398 0.01894 0.02165 0.00606 0.00521 166 12 H 1S 0.31175 -0.17260 -0.10780 0.26713 0.18736 167 2S -0.49840 0.47097 0.28171 -0.37604 -0.42708 168 13 H 1S -0.10964 0.20700 0.15108 0.28554 0.23675 169 2S 0.16293 -0.21853 -0.16798 -0.51921 -0.50882 170 14 H 1S -0.13352 0.17285 0.15148 0.31434 0.25595 171 2S 0.26091 -0.14793 -0.15530 -0.57475 -0.52995 172 15 O 1S 0.00197 0.00312 0.00429 0.00455 0.00121 173 2S 0.02994 -0.05049 -0.12138 0.05732 0.02166 174 2PX -0.07344 0.13880 0.16583 0.03216 0.02235 175 2PY -0.08475 0.09761 0.07814 -0.06307 -0.06214 176 2PZ 0.01935 -0.05529 -0.03895 0.02348 0.02065 177 3S -0.14409 -0.08034 -0.03031 -0.27361 -0.06254 178 3PX 0.05654 -0.12622 -0.21649 0.00395 -0.01639 179 3PY 0.14440 -0.36608 -0.39086 0.01745 0.10583 180 3PZ -0.03686 0.09814 0.09084 -0.02975 -0.03819 181 4XX 0.02007 -0.04850 -0.06867 0.01851 0.01874 182 4YY 0.00969 -0.03432 -0.06059 -0.00107 -0.00457 183 4ZZ 0.02104 0.00497 -0.01215 0.06439 0.02935 184 4XY -0.00015 -0.01250 -0.01193 -0.00503 -0.00001 185 4XZ 0.00166 0.01324 0.01501 0.01161 0.00360 186 4YZ 0.00084 0.00994 0.01103 0.01260 0.00557 187 16 H 1S 0.00090 -0.21189 -0.21635 -0.13868 -0.07650 188 2S 0.21751 0.46198 0.36367 0.49590 0.29023 189 17 H 1S -0.13153 0.19630 -0.23149 0.01835 -0.00677 190 2S 0.43020 -0.51322 0.83812 -0.18974 -0.04121 191 18 H 1S 0.05298 -0.03668 0.19304 -0.00125 -0.00608 192 2S -0.02371 -0.45091 -0.73751 0.14872 0.18159 193 19 C 1S -0.01065 -0.00616 -0.00910 -0.00561 0.00275 194 2S -0.01856 -0.35233 0.31649 0.08422 -0.00242 195 2PX -0.00817 0.19027 -0.23641 0.00688 0.01058 196 2PY 0.03332 0.07149 0.08101 0.04676 -0.02444 197 2PZ 0.12106 -0.02790 0.10988 -0.06455 0.02429 198 3S 0.09989 0.50660 -0.77476 0.06242 0.18478 199 3PX 0.17289 -0.17969 0.12325 -0.12213 -0.10327 200 3PY 0.08322 0.11063 -0.05367 -0.17601 -0.07928 201 3PZ -0.22347 0.17871 -0.23102 0.05108 -0.12332 202 4XX -0.00451 -0.08189 0.07356 -0.00373 0.01329 203 4YY 0.00080 -0.04360 0.03852 0.01663 0.00161 204 4ZZ -0.00629 0.06582 -0.07537 -0.00359 -0.01197 205 4XY 0.01456 -0.03813 0.04307 -0.03187 -0.00449 206 4XZ 0.03884 0.05242 -0.01768 -0.01129 -0.00412 207 4YZ -0.01600 0.02963 -0.03907 0.00788 -0.00828 208 20 H 1S -0.07228 -0.44892 0.27268 -0.13127 0.06456 209 2S -0.18731 0.49218 -0.49351 0.25143 -0.01929 210 21 H 1S 0.04849 0.24695 -0.24894 -0.09552 0.00127 211 2S -0.20888 -0.45567 0.35594 0.07678 -0.09984 212 22 H 1S -0.21646 0.12884 -0.36867 0.03176 0.00430 213 2S 0.35348 -0.46783 0.76004 -0.10526 0.05196 214 23 H 1S 0.30966 -0.01618 0.36256 -0.24909 0.03615 215 2S -0.83670 -0.18465 -0.87035 0.63871 0.00656 216 24 H 1S -0.09921 0.10663 0.22519 -0.37511 -0.12788 217 2S 0.31267 -0.11297 -0.58311 0.77189 0.22192 218 25 H 1S 0.42544 0.25251 -0.18680 -0.08049 -0.03030 219 2S -1.10040 -0.77099 0.54752 0.10167 0.01992 220 26 H 1S 0.04287 0.03574 -0.02574 -0.01691 -0.08694 221 2S 0.11533 0.00363 0.00119 -0.06026 -0.09930 222 27 H 1S 0.29081 -0.21968 0.01762 0.13172 0.07741 223 2S -1.09087 0.27772 -0.03574 -0.21629 -0.33254 224 28 C 1S -0.00128 0.00175 -0.00100 0.00852 -0.01740 225 2S 0.01093 -0.05854 -0.03715 -0.31394 0.68636 226 2PX -0.18744 0.02602 0.02849 0.11020 -0.36365 227 2PY -0.12722 -0.06007 0.03326 -0.03239 0.02373 228 2PZ -0.16817 -0.09337 -0.00187 0.05969 0.02671 229 3S -0.25723 0.36089 -0.04900 0.39650 -0.88955 230 3PX 0.11557 0.03323 -0.05607 -0.18053 0.38114 231 3PY 0.19222 -0.00074 0.06398 0.18679 -0.59325 232 3PZ 0.24642 0.31422 -0.04260 -0.19534 0.06913 233 4XX 0.00460 -0.01453 -0.00396 -0.01721 0.07023 234 4YY 0.01729 0.00550 -0.01274 -0.03451 0.08082 235 4ZZ -0.02618 0.00267 0.01048 0.00851 -0.05435 236 4XY 0.04075 -0.01549 0.00127 0.03103 -0.02940 237 4XZ -0.06254 0.00005 0.00331 -0.00460 -0.01059 238 4YZ -0.01481 0.02585 0.00554 0.00161 -0.05053 239 29 H 1S 0.23670 -0.03644 -0.06074 0.09975 0.05867 240 2S -0.33696 0.06082 0.03704 -0.20175 0.20076 241 30 H 1S -0.27213 0.02885 0.00738 0.13091 -0.36354 242 2S 0.55506 0.10630 -0.07319 -0.35049 0.72884 243 31 H 1S 0.04581 0.11296 0.00412 0.09007 -0.34146 244 2S -0.14512 -0.30430 -0.02969 -0.15457 0.75343 245 32 H 1S -0.06869 0.14751 -0.13314 0.07349 0.09227 246 2S 0.16947 -0.20938 0.22993 -0.21926 0.09437 247 33 H 1S 0.14008 -0.28201 0.04703 0.32535 -0.29075 248 2S -0.27731 0.58193 -0.08199 -0.67000 0.57242 249 34 H 1S 0.13068 0.04501 0.04461 0.22235 -0.38002 250 2S -0.42746 -0.19775 -0.08863 -0.40704 0.76679 141 142 143 144 145 V V V V V Eigenvalues -- 0.95930 0.96426 0.97787 0.98817 1.00298 1 1 C 1S -0.00719 0.01388 0.02107 -0.00568 -0.00751 2 2S 0.15424 -0.24283 -0.74038 0.26486 0.25825 3 2PX 0.10293 -0.09273 0.16518 -0.07577 -0.05970 4 2PY -0.25311 0.33505 0.35126 -0.06677 -0.10057 5 2PZ 0.10939 -0.06470 -0.06975 0.00397 0.05051 6 3S -0.60711 0.46217 1.75679 -0.59923 -0.65043 7 3PX -0.12166 0.08357 -0.15944 0.08368 0.01434 8 3PY 0.11471 -0.52258 -0.72391 0.22190 0.28012 9 3PZ -0.08974 0.12455 0.17137 -0.05048 -0.09813 10 4XX -0.01981 0.00320 -0.03791 0.02033 0.02680 11 4YY -0.01660 0.03695 -0.04482 0.02656 0.01640 12 4ZZ 0.05237 -0.06734 -0.00949 -0.01295 -0.01341 13 4XY 0.03342 -0.06557 -0.03774 0.00397 0.00372 14 4XZ 0.00943 0.01564 0.02264 -0.01000 -0.00199 15 4YZ 0.01682 -0.03239 0.00901 -0.00868 -0.01381 16 2 C 1S -0.00115 -0.00454 -0.00214 -0.00092 -0.00331 17 2S -0.10270 0.15238 0.00675 -0.01591 -0.03084 18 2PX 0.10767 0.06539 0.04833 -0.02931 0.00922 19 2PY -0.00903 0.04117 -0.02115 -0.02409 -0.00263 20 2PZ 0.02183 0.01200 0.02882 -0.00965 0.00919 21 3S 0.11187 -0.54010 -0.37198 -0.04704 -0.09035 22 3PX -0.78865 -0.29873 -0.41318 0.08361 -0.10614 23 3PY 0.19219 -0.31563 0.16507 -0.02827 0.00804 24 3PZ -0.08251 0.03290 -0.11595 0.06430 -0.03932 25 4XX -0.01370 0.00518 -0.02132 -0.00341 -0.00036 26 4YY -0.01531 -0.00276 0.00711 0.00135 -0.01075 27 4ZZ 0.00291 0.01186 0.00661 0.00274 0.00530 28 4XY 0.00831 -0.01144 -0.02787 0.00955 0.01331 29 4XZ -0.00393 0.00285 0.01370 -0.00739 -0.00022 30 4YZ 0.00003 0.00465 -0.00056 0.00536 0.00119 31 3 C 1S -0.00097 -0.00596 0.00355 0.00170 0.00323 32 2S 0.09185 0.07676 0.04604 -0.08568 -0.09403 33 2PX -0.09552 0.23590 0.10099 0.02235 0.03132 34 2PY 0.01121 -0.26359 -0.12567 -0.06574 0.03786 35 2PZ -0.05698 0.01669 -0.03298 0.01015 -0.03166 36 3S 0.12707 -0.47347 -0.00375 0.17303 0.06577 37 3PX -0.30960 -0.68630 -0.65559 -0.01890 -0.31734 38 3PY -0.09242 0.69855 0.37950 0.20803 -0.05649 39 3PZ 0.19926 -0.04791 0.08390 -0.12502 0.10856 40 4XX 0.01997 0.03392 0.02106 -0.00900 -0.01973 41 4YY -0.01122 -0.06448 -0.01706 0.01322 0.01580 42 4ZZ 0.01076 0.02650 0.01346 -0.00644 -0.00616 43 4XY -0.01906 -0.00575 0.02221 0.00267 -0.02791 44 4XZ 0.00787 0.00520 -0.01933 0.01160 0.00175 45 4YZ 0.00518 0.03876 -0.00688 -0.00019 -0.01220 46 4 C 1S -0.00038 0.01350 -0.01066 -0.00474 -0.00512 47 2S 0.00740 -0.25512 0.29658 0.13411 0.00603 48 2PX 0.07330 0.09642 0.01376 -0.01016 0.01871 49 2PY 0.11149 -0.00427 0.15862 -0.00078 0.09703 50 2PZ 0.03410 0.08416 -0.13746 -0.08817 -0.01720 51 3S 0.12463 0.54615 -0.60094 -0.36867 0.05067 52 3PX -0.30122 -0.19932 0.11849 0.13639 -0.02933 53 3PY -0.42515 -0.28600 -0.61434 0.10534 -0.50091 54 3PZ -0.04856 0.02866 0.23169 0.21232 0.08072 55 4XX -0.00559 -0.05269 0.04030 0.00931 0.01125 56 4YY 0.02263 0.02695 -0.00407 -0.00241 0.00054 57 4ZZ -0.01348 0.00651 -0.00736 0.00357 -0.01329 58 4XY -0.00311 -0.01082 0.03915 -0.00193 -0.01345 59 4XZ -0.00029 -0.01713 0.01098 -0.00014 0.01372 60 4YZ 0.01862 0.02068 0.01753 -0.01777 0.00428 61 5 C 1S 0.00669 -0.00489 0.01177 0.00517 0.00149 62 2S -0.29190 -0.08198 -0.24933 -0.18241 0.01368 63 2PX 0.06321 -0.11310 0.01022 0.03238 0.00910 64 2PY 0.08957 0.15958 0.03571 0.02424 0.11135 65 2PZ -0.16586 -0.06609 -0.11183 -0.11852 -0.02342 66 3S 0.50886 0.26951 0.52024 0.58007 0.14639 67 3PX -0.18724 0.33932 -0.18998 0.08934 -0.07436 68 3PY -0.22331 -0.25491 0.21964 -0.23962 0.32111 69 3PZ 0.30202 0.11460 0.23710 0.32100 -0.02555 70 4XX -0.03946 0.00884 -0.04111 0.00215 -0.01960 71 4YY 0.02874 0.01535 0.00679 -0.01675 0.01885 72 4ZZ -0.02214 -0.04300 0.01294 -0.00342 0.00472 73 4XY -0.04233 -0.03630 -0.03403 0.00557 0.00049 74 4XZ 0.01611 0.02299 0.00427 -0.02947 0.00486 75 4YZ -0.00741 -0.02325 -0.01152 0.01852 0.00521 76 6 C 1S -0.01292 -0.00500 -0.01045 0.01695 -0.00472 77 2S -0.10576 0.07665 -0.14698 0.42672 -0.38977 78 2PX 0.18316 0.13942 -0.11457 0.08686 -0.30256 79 2PY -0.01830 -0.01522 0.05641 -0.03252 0.11483 80 2PZ 0.07887 0.08605 -0.00948 -0.05346 0.05528 81 3S -0.28465 -0.62389 1.15570 -0.96090 1.97629 82 3PX -0.92023 -0.53875 0.84052 -0.30639 1.94803 83 3PY 0.03193 0.24043 -0.63466 0.52563 -1.29241 84 3PZ -0.14078 -0.24772 -0.03260 0.02071 -0.19574 85 4XX -0.04946 -0.01822 -0.00646 0.04150 -0.00814 86 4YY -0.01933 0.00198 -0.01219 0.04453 -0.01533 87 4ZZ 0.03076 0.01826 0.00230 -0.02801 -0.00085 88 4XY -0.00579 -0.01365 -0.02261 0.00986 -0.03379 89 4XZ 0.00097 -0.00027 -0.00335 -0.01037 -0.00123 90 4YZ 0.01535 -0.00705 0.01978 -0.01430 0.00415 91 7 C 1S -0.01244 0.00123 -0.00464 0.00857 -0.01603 92 2S -0.33213 -0.21058 -0.18074 0.30300 -0.18390 93 2PX 0.03657 0.08948 -0.16769 0.10648 -0.33017 94 2PY -0.15545 -0.08982 0.16088 0.18997 -0.04896 95 2PZ 0.01119 -0.00106 -0.00033 -0.05029 0.06886 96 3S 1.47266 0.57826 0.15961 -0.80728 0.02075 97 3PX -0.08592 -0.47606 1.43333 -0.97724 2.87739 98 3PY 0.87173 0.41781 -0.59919 -0.86391 -0.11699 99 3PZ -0.01508 0.11360 -0.15402 0.29144 -0.47884 100 4XX 0.01682 -0.00689 -0.01724 0.02916 -0.01227 101 4YY -0.07580 -0.01913 -0.03056 0.00324 -0.05942 102 4ZZ 0.02070 -0.00208 0.01114 0.00197 0.02541 103 4XY -0.00810 -0.01363 0.03107 -0.05795 0.09550 104 4XZ 0.01323 0.01123 0.00512 -0.00080 -0.00587 105 4YZ 0.00659 0.00156 -0.00773 0.00952 -0.00584 106 8 C 1S 0.00818 -0.00141 0.00873 -0.00895 0.02100 107 2S -0.14014 -0.02418 -0.02323 -0.64433 0.47910 108 2PX -0.17727 -0.01294 -0.15523 0.13089 -0.28421 109 2PY 0.02469 0.17536 -0.16865 0.01459 -0.29723 110 2PZ 0.00642 -0.03084 0.04066 -0.02055 0.09721 111 3S 0.16284 0.14315 -0.23333 1.84106 -1.92905 112 3PX 0.95911 0.15081 0.57856 -1.11206 1.43229 113 3PY 0.01003 -0.66175 1.04040 0.06954 1.57783 114 3PZ -0.16882 0.05579 -0.24427 0.18957 -0.51072 115 4XX -0.00899 0.01552 0.00118 -0.04840 0.01716 116 4YY -0.00644 -0.03601 0.01174 -0.03608 0.08120 117 4ZZ -0.00111 0.01476 -0.01299 0.00702 -0.03720 118 4XY -0.02628 -0.01531 -0.02652 0.03704 -0.04044 119 4XZ 0.00560 -0.00020 0.00313 0.00721 -0.00571 120 4YZ -0.00485 0.00352 -0.00212 0.00425 -0.01578 121 9 C 1S -0.01228 -0.00109 -0.00593 -0.02159 0.00789 122 2S -0.04074 0.11492 -0.08917 -0.50566 0.18183 123 2PX -0.20560 -0.08655 -0.16706 -0.02178 -0.14321 124 2PY 0.15669 0.09042 -0.02657 0.05573 -0.17274 125 2PZ 0.02688 0.00651 0.04161 -0.00650 0.05251 126 3S 0.11367 -0.36610 0.59843 1.84541 -0.21706 127 3PX 0.45835 0.32929 0.25307 -0.09182 0.09092 128 3PY -1.02591 -0.26510 -0.39764 -0.42229 0.11621 129 3PZ 0.06110 -0.01231 -0.00063 0.07930 -0.02661 130 4XX -0.03487 -0.00719 -0.01211 -0.07524 0.03641 131 4YY 0.01661 0.01443 0.00836 -0.01244 0.02769 132 4ZZ 0.01260 0.00644 -0.00907 0.02114 -0.03623 133 4XY -0.00031 -0.01001 0.01133 -0.02426 0.03575 134 4XZ 0.00717 0.00351 -0.00328 0.02551 -0.02232 135 4YZ -0.00288 -0.00177 -0.00547 0.01156 -0.01872 136 10 C 1S -0.01270 -0.00200 0.00187 0.01828 -0.01570 137 2S -0.00502 0.01324 0.17156 0.51666 -0.25746 138 2PX -0.13041 -0.03905 -0.12825 -0.01932 -0.15273 139 2PY 0.17303 0.04135 0.03925 0.11069 0.00230 140 2PZ 0.01420 0.01323 0.02067 -0.01891 0.03303 141 3S -0.73339 -0.18544 -0.65370 -1.39042 0.46146 142 3PX 0.78645 0.17624 0.37493 0.21703 0.45464 143 3PY -0.70189 -0.12924 -0.33833 -0.60288 -0.05064 144 3PZ -0.07640 -0.04616 -0.02293 0.06919 -0.09408 145 4XX -0.05428 -0.01153 -0.00240 0.06918 -0.07981 146 4YY -0.01656 0.00062 0.01629 0.00714 0.02045 147 4ZZ 0.02424 0.00359 -0.00278 -0.00141 -0.00149 148 4XY -0.00658 0.00202 0.00194 0.03872 -0.04930 149 4XZ 0.01912 0.00326 -0.00006 -0.02180 0.02506 150 4YZ 0.00991 0.00152 -0.00422 -0.00962 0.00642 151 11 C 1S 0.01932 0.00529 -0.00273 0.01796 -0.02164 152 2S -0.94152 -0.31897 -0.24149 -0.17061 -0.06674 153 2PX -0.25407 -0.07910 -0.03940 -0.06565 0.05083 154 2PY 0.14145 0.04926 0.04125 0.14880 -0.08632 155 2PZ 0.03246 0.00891 0.00526 -0.01289 0.00570 156 3S 1.70849 0.63252 0.45083 0.41146 -0.11830 157 3PX 0.69916 0.19721 0.15589 0.04400 0.16091 158 3PY -0.35653 -0.16632 -0.13287 -0.26049 0.19401 159 3PZ -0.06855 0.00108 -0.01381 0.02881 -0.05343 160 4XX -0.10851 -0.03539 -0.02432 0.00085 -0.02555 161 4YY -0.01998 -0.01246 -0.00737 0.02244 -0.01297 162 4ZZ -0.00132 0.00294 -0.00522 -0.02534 0.00336 163 4XY 0.03170 0.00575 0.00238 -0.00398 0.01836 164 4XZ 0.01538 0.00656 0.00255 -0.00476 0.00315 165 4YZ -0.00864 -0.00198 -0.00228 -0.00592 -0.00230 166 12 H 1S 0.24738 0.05932 0.00043 0.19439 -0.14630 167 2S -0.88829 -0.30825 -0.23673 -0.47652 0.22439 168 13 H 1S 0.33440 0.11403 0.03569 0.11390 -0.12120 169 2S -0.78218 -0.25200 -0.16654 -0.05554 -0.06601 170 14 H 1S 0.30470 0.09853 0.02541 0.12165 -0.12794 171 2S -0.73959 -0.23967 -0.14410 -0.06521 -0.05980 172 15 O 1S -0.00401 -0.00204 -0.00195 -0.00367 0.00229 173 2S 0.01570 -0.02590 -0.08241 -0.09979 0.04179 174 2PX -0.03242 0.00273 0.02093 -0.04281 0.06586 175 2PY -0.06770 -0.00415 0.00721 0.24043 -0.27241 176 2PZ -0.01213 -0.01448 -0.01757 -0.01604 0.01438 177 3S 0.18150 0.11400 0.27312 0.29283 -0.01494 178 3PX 0.02237 -0.01063 -0.10028 -0.03357 -0.09074 179 3PY 0.31638 0.06207 0.06240 -0.25043 0.44401 180 3PZ -0.00999 0.01707 0.02512 0.02518 -0.02847 181 4XX 0.03889 -0.00062 -0.00861 -0.05441 0.07262 182 4YY 0.00111 -0.01073 -0.01958 -0.01389 0.00118 183 4ZZ -0.00122 -0.01243 -0.04928 -0.06788 0.01941 184 4XY 0.00799 0.00199 0.00275 -0.00158 0.00416 185 4XZ -0.01158 -0.00416 -0.00947 -0.00222 -0.01282 186 4YZ -0.00161 -0.00018 -0.00615 -0.00940 0.00207 187 16 H 1S -0.03005 -0.01541 -0.01785 -0.05517 0.01877 188 2S 0.19986 0.06653 -0.13013 0.06335 -0.28151 189 17 H 1S 0.07536 -0.14190 0.12325 0.10793 0.19007 190 2S -0.02984 0.73259 -0.87742 -0.67189 -1.11568 191 18 H 1S -0.18490 -0.03037 -0.00715 -0.02544 -0.16505 192 2S 0.58744 0.19355 -0.39902 -0.26942 0.00579 193 19 C 1S 0.00573 0.00556 -0.00419 -0.01656 -0.01712 194 2S -0.19474 -0.07310 0.21665 0.70372 0.36566 195 2PX 0.06001 -0.16960 0.12230 0.11738 -0.02104 196 2PY -0.06307 -0.14630 0.13678 0.35762 0.24505 197 2PZ 0.03529 -0.06257 0.08723 -0.06210 -0.03166 198 3S 0.30446 0.16693 -0.36091 -1.80292 -0.53035 199 3PX 0.06907 0.38322 -0.32763 -0.14948 -0.48119 200 3PY 0.17512 0.35113 -0.47161 -0.61795 -0.91393 201 3PZ 0.00842 0.23018 -0.16989 0.06428 0.21848 202 4XX -0.00808 0.03683 -0.03466 -0.02347 0.00253 203 4YY -0.02661 0.00809 0.00979 0.07726 0.02696 204 4ZZ 0.01320 -0.05330 0.05745 0.02782 0.01195 205 4XY 0.01192 0.04114 -0.03011 -0.02814 -0.04283 206 4XZ 0.01147 -0.03788 0.04161 0.01346 0.00362 207 4YZ 0.00119 0.00149 -0.00385 -0.00155 0.01125 208 20 H 1S 0.05145 0.34829 -0.30585 -0.44263 -0.30028 209 2S -0.14380 -0.82353 0.89569 1.12235 1.22381 210 21 H 1S 0.12938 -0.12547 0.13749 -0.19536 -0.20925 211 2S -0.18361 0.41392 -0.33714 0.46873 0.27959 212 22 H 1S 0.04048 -0.00009 -0.05344 -0.19983 -0.18792 213 2S -0.11678 -0.10499 0.26517 0.54424 0.24928 214 23 H 1S 0.09821 -0.08162 0.12266 0.15003 0.02844 215 2S -0.30865 0.20273 -0.43328 -0.40677 -0.08037 216 24 H 1S 0.29143 0.23688 0.21780 -0.05977 0.10047 217 2S -0.60331 -0.56795 -0.21935 -0.27508 0.13540 218 25 H 1S 0.05143 0.20882 -0.18332 -0.06817 -0.03991 219 2S -0.06054 -0.27672 0.23550 0.23650 -0.04771 220 26 H 1S 0.05812 0.15986 -0.23430 -0.06595 0.01929 221 2S 0.08224 0.02711 0.79080 0.15627 0.37146 222 27 H 1S -0.01967 -0.28441 -0.10535 0.03782 0.12920 223 2S -0.01900 1.03745 0.53513 0.04346 -0.20278 224 28 C 1S 0.00105 0.01834 -0.01577 0.00951 0.01290 225 2S -0.11434 -0.40453 0.50782 -0.32536 -0.43314 226 2PX 0.21002 -0.10665 -0.10558 -0.05034 -0.03267 227 2PY 0.11414 -0.33691 0.19562 -0.21274 -0.27971 228 2PZ -0.08865 0.09039 -0.06081 0.05549 0.06866 229 3S -0.07491 1.12812 -1.23863 0.84118 1.07084 230 3PX -0.18803 0.19756 0.06828 0.08243 0.14615 231 3PY 0.15993 0.41835 -0.24271 0.35318 0.57341 232 3PZ 0.09036 -0.07831 0.14492 -0.12499 -0.12113 233 4XX -0.05005 0.03489 0.04492 0.00984 -0.00685 234 4YY -0.03208 -0.00054 0.05423 -0.02662 -0.02221 235 4ZZ 0.06091 -0.07733 -0.03708 -0.02026 -0.02055 236 4XY -0.02166 0.05575 0.00219 0.02184 0.03951 237 4XZ 0.01676 -0.02158 -0.00018 -0.01320 -0.00883 238 4YZ 0.03990 -0.02572 -0.02198 -0.00693 0.00167 239 29 H 1S -0.29581 0.56305 -0.05392 0.24567 0.31656 240 2S 0.35583 -1.07928 0.17547 -0.63284 -0.89968 241 30 H 1S 0.14658 0.07712 -0.30413 0.08495 0.16174 242 2S -0.23885 -0.09847 0.59772 -0.21074 -0.28507 243 31 H 1S 0.16740 0.06439 -0.32929 0.10834 0.15237 244 2S -0.37363 -0.12332 0.55471 -0.21663 -0.31475 245 32 H 1S -0.34338 0.53606 0.34500 -0.01400 -0.04862 246 2S 0.54048 -1.04829 -1.01082 0.21793 0.31615 247 33 H 1S -0.03232 -0.01520 0.29175 -0.11036 -0.15884 248 2S 0.06723 0.08709 -0.57817 0.24012 0.29046 249 34 H 1S 0.03656 0.01808 0.35382 -0.14424 -0.13489 250 2S -0.10116 0.02661 -0.70283 0.30591 0.23470 146 147 148 149 150 V V V V V Eigenvalues -- 1.02127 1.03263 1.03671 1.05137 1.08540 1 1 C 1S -0.00734 -0.00153 -0.00037 -0.00837 -0.00104 2 2S -0.00511 0.02129 0.00445 0.08262 -0.00593 3 2PX -0.04441 -0.01012 0.01838 -0.00987 0.01361 4 2PY -0.01929 -0.02096 -0.03790 -0.11134 0.00318 5 2PZ 0.09315 0.00628 -0.03307 0.01645 -0.00640 6 3S -0.08386 -0.07213 0.10425 -0.61149 0.20211 7 3PX -0.21505 -0.02213 0.15495 -0.18533 0.10413 8 3PY 0.34328 0.07528 -0.11157 0.14359 -0.01007 9 3PZ -0.15192 -0.01914 0.03905 0.03851 -0.00904 10 4XX -0.01145 0.00347 0.01935 0.01652 0.00180 11 4YY -0.02520 -0.00244 0.00989 -0.00750 0.00476 12 4ZZ 0.02305 -0.00031 -0.02359 -0.01302 -0.00396 13 4XY -0.00843 0.00004 0.01287 -0.01789 0.01137 14 4XZ 0.02281 -0.00058 -0.01756 0.00256 -0.00490 15 4YZ -0.01285 0.00056 0.00743 -0.00333 0.00018 16 2 C 1S -0.00935 -0.00121 0.00789 -0.00645 0.00429 17 2S -0.50307 -0.02680 0.40161 -0.00648 0.10236 18 2PX -0.23632 -0.01139 0.18557 0.15547 0.01144 19 2PY 0.12457 0.01240 -0.07403 0.06109 -0.03815 20 2PZ 0.05137 -0.00582 -0.04900 -0.01565 0.00027 21 3S 2.65420 0.14504 -2.09717 -0.46773 -0.53721 22 3PX 1.96090 0.12904 -1.38631 -1.01496 -0.16020 23 3PY -0.86440 -0.06653 0.72454 -0.20472 0.35258 24 3PZ -0.19301 0.01483 0.10719 0.09696 -0.04759 25 4XX 0.03954 0.00120 -0.01861 -0.02606 0.00315 26 4YY -0.06430 -0.00371 0.04151 0.00765 0.00765 27 4ZZ -0.00695 0.00007 0.00196 0.00629 -0.00352 28 4XY -0.01827 0.00052 0.02304 -0.01165 0.00865 29 4XZ 0.03561 0.00190 -0.02138 0.00341 -0.00584 30 4YZ 0.00606 -0.00032 -0.01334 0.00773 -0.00616 31 3 C 1S -0.01357 0.00071 0.01248 0.01286 0.00368 32 2S -0.18266 -0.02027 0.18315 -0.18867 0.04393 33 2PX -0.39748 -0.01354 0.31623 0.07137 0.03613 34 2PY 0.08250 0.04271 0.09052 0.03406 0.02260 35 2PZ -0.10650 0.00495 0.07192 0.00213 0.01794 36 3S -0.92464 0.00403 0.40719 0.86997 -0.00190 37 3PX 2.74301 0.15540 -2.22775 -0.92178 -0.47943 38 3PY -0.22265 -0.08097 -0.38032 0.33100 -0.26377 39 3PZ 0.21025 -0.00287 0.04066 -0.08403 0.06900 40 4XX -0.09141 -0.00885 0.05404 -0.01657 0.01187 41 4YY -0.00909 0.01010 0.02628 0.04949 0.00061 42 4ZZ 0.03687 -0.00404 -0.03720 -0.03267 -0.00627 43 4XY 0.00749 -0.00260 -0.03889 -0.01190 -0.00739 44 4XZ -0.05253 -0.00401 0.02577 -0.00504 0.00156 45 4YZ -0.01208 -0.00732 -0.01520 -0.03304 -0.00608 46 4 C 1S -0.00497 -0.00132 0.00291 -0.01980 -0.00009 47 2S -0.19742 -0.02565 -0.11569 0.41497 -0.14420 48 2PX -0.14650 -0.01821 0.16488 -0.11148 0.00466 49 2PY -0.21226 -0.02452 0.13384 0.35884 -0.02863 50 2PZ 0.11227 0.01063 0.00630 -0.32888 0.04290 51 3S -0.08628 -0.02304 0.94960 -1.40953 0.62227 52 3PX 0.44468 0.03728 -0.71072 0.49826 -0.18809 53 3PY 1.00519 0.06608 -0.98574 -1.34692 -0.14838 54 3PZ -0.35035 -0.06972 0.08041 0.71148 -0.06854 55 4XX -0.03608 -0.00077 0.01845 0.06056 -0.00193 56 4YY -0.00490 -0.00765 0.00260 -0.07371 0.01508 57 4ZZ 0.00117 0.00133 -0.01687 0.03092 -0.01963 58 4XY -0.01287 0.00031 -0.00821 0.07874 -0.00039 59 4XZ 0.01963 0.00012 0.00353 -0.01075 0.00535 60 4YZ 0.04696 0.00145 -0.03075 0.06246 -0.01177 61 5 C 1S 0.00686 0.00030 -0.00804 0.00131 -0.00020 62 2S 0.23382 0.11759 0.28456 -0.21833 0.08080 63 2PX -0.27247 -0.00943 0.21044 0.03886 0.01834 64 2PY -0.19189 -0.04307 -0.01291 -0.07992 -0.11443 65 2PZ 0.15671 0.08768 0.13118 0.02784 0.07917 66 3S -0.33272 -0.34063 -0.84896 -0.26192 -0.90316 67 3PX 0.84172 -0.06599 -0.77098 -0.33366 -0.39587 68 3PY 1.19053 0.21250 -0.04296 0.26218 0.00297 69 3PZ -0.54037 -0.26020 -0.26054 0.17587 -0.06207 70 4XX 0.05679 0.01481 0.00431 -0.01357 -0.01144 71 4YY -0.00599 -0.00823 -0.01514 -0.02371 -0.00126 72 4ZZ -0.00325 0.00713 0.02758 0.00416 0.00525 73 4XY -0.02016 0.00279 0.03733 -0.02250 -0.01352 74 4XZ 0.01394 -0.00112 0.00103 0.02665 0.00628 75 4YZ -0.01406 0.00518 0.03614 -0.01755 0.01897 76 6 C 1S 0.00552 -0.00433 -0.02430 -0.00882 0.00051 77 2S 0.14862 -0.09871 -0.60043 0.05102 0.25101 78 2PX -0.26489 -0.07190 0.01999 0.08760 0.37181 79 2PY 0.20361 0.02469 -0.08899 0.02574 0.05371 80 2PZ -0.02814 -0.06684 0.10363 -0.07332 -0.05273 81 3S 0.97801 0.66477 1.45483 0.09972 0.61834 82 3PX 2.46214 0.52746 -0.26137 -0.66011 -1.03020 83 3PY -1.19513 -0.26806 0.25378 -0.28136 -0.17288 84 3PZ -0.03987 0.15228 -0.19579 0.24767 0.15579 85 4XX 0.03991 0.00552 -0.03871 -0.02179 0.02957 86 4YY 0.02983 -0.00893 -0.07347 0.00149 0.02271 87 4ZZ -0.02051 0.00007 0.04191 0.00966 -0.00871 88 4XY -0.05739 -0.00062 0.04591 -0.00479 -0.02349 89 4XZ 0.03848 0.01032 -0.03238 -0.02676 -0.01372 90 4YZ -0.00243 -0.00534 0.00583 0.00582 -0.00214 91 7 C 1S 0.00790 0.00217 -0.00448 0.00150 -0.00229 92 2S -0.10271 -0.15503 -0.77084 -0.05831 -0.54339 93 2PX -0.29838 -0.06877 -0.06997 0.00455 -0.14868 94 2PY 0.29724 0.14358 0.26584 0.03669 0.27951 95 2PZ 0.02063 0.06457 -0.05404 -0.00202 -0.01466 96 3S -0.92941 0.15993 2.40001 0.31320 0.21296 97 3PX 2.51315 0.65680 0.39948 -0.06424 0.28055 98 3PY -1.36677 -0.42540 -0.33063 0.11357 -1.63758 99 3PZ -0.35646 -0.17247 0.08929 -0.02976 0.22257 100 4XX -0.07523 -0.04277 -0.07917 -0.01031 -0.03261 101 4YY 0.04955 0.02291 0.03078 0.02308 -0.06968 102 4ZZ -0.01362 -0.00064 -0.02666 -0.01248 0.00884 103 4XY 0.04836 0.00944 0.02690 -0.02043 -0.08095 104 4XZ -0.01434 -0.01740 0.02884 0.01612 0.02924 105 4YZ 0.00399 -0.01704 -0.02418 -0.01974 0.02877 106 8 C 1S 0.00430 0.00094 0.00359 -0.00401 0.01329 107 2S 0.02470 0.03917 0.20009 -0.03108 0.11821 108 2PX -0.12698 -0.06147 -0.26602 0.06755 0.25105 109 2PY 0.02008 -0.00230 -0.03931 0.03714 0.19741 110 2PZ 0.02491 0.03832 0.04534 -0.04341 -0.07363 111 3S -0.24440 0.00091 0.23112 -0.05230 -2.97888 112 3PX 0.65710 0.38863 1.64369 -0.19675 -3.56019 113 3PY 0.81743 0.21316 0.13617 -0.06826 -0.05360 114 3PZ -0.19096 -0.22401 -0.31646 0.10450 0.63931 115 4XX 0.05046 0.03199 0.03076 0.00928 -0.05755 116 4YY -0.05085 -0.00938 0.01240 -0.03656 0.02000 117 4ZZ 0.00046 -0.01510 0.00150 0.01253 0.02413 118 4XY -0.04998 -0.01274 -0.05401 -0.01370 -0.03553 119 4XZ -0.00655 0.03805 -0.01362 0.00300 0.01977 120 4YZ 0.03330 0.01739 -0.00646 0.00580 0.00432 121 9 C 1S -0.00166 0.00032 0.00332 0.00509 0.00320 122 2S 0.04807 0.04601 0.21683 0.13338 0.35195 123 2PX -0.23742 -0.05647 -0.01523 -0.01224 -0.02343 124 2PY 0.05551 0.04139 0.16870 0.01190 -0.35542 125 2PZ 0.03729 -0.05505 -0.00586 0.01370 0.05748 126 3S 0.30042 -0.24234 -1.69550 -0.31322 1.47934 127 3PX 0.77696 0.36797 0.74948 -0.01146 -2.46020 128 3PY -0.72902 -0.26362 -0.78602 0.09077 3.30063 129 3PZ -0.10936 0.32419 -0.08568 -0.06478 -0.04689 130 4XX 0.00076 -0.00138 0.01433 0.01971 0.05850 131 4YY 0.02065 0.01267 -0.02653 -0.00194 0.01955 132 4ZZ -0.01943 -0.01029 0.02000 -0.00067 -0.01365 133 4XY -0.00289 0.00928 0.01647 -0.00553 -0.04561 134 4XZ 0.00131 -0.01879 0.00219 -0.00627 -0.00747 135 4YZ -0.01432 0.05673 -0.01259 -0.00237 0.00074 136 10 C 1S 0.01664 0.00684 0.01157 -0.00101 -0.03360 137 2S 0.44673 0.15220 0.22372 -0.07393 -0.70175 138 2PX -0.13682 0.03056 0.05313 0.01096 -0.41543 139 2PY -0.03799 -0.01184 -0.14051 -0.04586 0.00388 140 2PZ -0.03180 0.20521 -0.02647 -0.00780 0.07768 141 3S -1.53213 -0.48155 -0.60392 0.29316 4.51336 142 3PX 0.11878 -0.32288 -0.70957 -0.11655 1.56146 143 3PY -0.18502 -0.06579 0.41946 0.18239 0.62878 144 3PZ 0.23435 -0.78081 0.22863 0.05252 -0.39116 145 4XX 0.04367 0.03921 0.07094 -0.00230 -0.11938 146 4YY 0.03427 0.00494 -0.01224 -0.00198 0.05126 147 4ZZ -0.02231 -0.01937 -0.00936 0.00128 0.01030 148 4XY 0.01575 0.02234 0.05168 0.00824 0.07847 149 4XZ -0.02485 0.02025 -0.03381 -0.00257 0.01476 150 4YZ -0.01761 -0.00297 -0.00907 -0.00340 -0.01992 151 11 C 1S -0.00932 -0.00061 0.00448 -0.00069 -0.00474 152 2S -0.36787 -0.09759 -0.13091 0.00641 -0.00068 153 2PX -0.05201 -0.00746 -0.08928 -0.00481 0.10183 154 2PY 0.10071 0.05550 0.04787 -0.01197 -0.26974 155 2PZ -0.03578 0.12555 -0.02092 -0.00114 0.02259 156 3S 1.11170 0.43094 0.87016 0.02380 -1.59547 157 3PX -0.04374 -0.06484 -0.19868 -0.02014 0.80251 158 3PY -0.38714 -0.15446 -0.32473 -0.00786 0.67494 159 3PZ 0.04349 0.05621 0.09125 -0.00938 -0.23814 160 4XX -0.01135 0.00265 0.01295 -0.00376 -0.11994 161 4YY -0.01506 -0.02641 -0.01482 -0.00380 0.04071 162 4ZZ -0.02363 0.01518 0.00095 0.00652 0.02725 163 4XY -0.01472 -0.02570 -0.03451 -0.00613 0.03029 164 4XZ 0.00138 0.00244 0.00423 0.00199 0.02706 165 4YZ 0.02328 -0.06556 0.02391 0.00617 -0.00849 166 12 H 1S -0.04917 -0.01130 -0.01699 -0.01096 0.12825 167 2S -0.47390 -0.16971 -0.30609 0.02048 0.49128 168 13 H 1S -0.01908 0.15514 0.06372 -0.00191 -0.07699 169 2S -0.08980 -0.24734 -0.01421 -0.00099 -0.15618 170 14 H 1S 0.05621 -0.10550 0.11354 0.00701 -0.08010 171 2S -0.19295 0.17780 -0.10766 -0.00101 -0.15897 172 15 O 1S -0.00619 -0.00200 -0.00269 0.00017 0.00509 173 2S -0.27882 -0.10293 -0.16709 -0.00908 0.15028 174 2PX 0.06356 -0.16484 -0.05535 0.01823 0.04706 175 2PY 0.14852 -0.03107 0.31230 0.02233 0.15218 176 2PZ 0.17325 -0.84929 0.15303 0.03774 -0.03978 177 3S 0.71543 0.21764 0.25623 -0.02869 -0.36704 178 3PX -0.16838 0.21632 0.04829 -0.03205 -0.46948 179 3PY -0.18010 0.01190 -0.60127 -0.07555 -0.25559 180 3PZ -0.24456 1.22855 -0.18687 -0.05117 0.13751 181 4XX -0.07578 -0.05227 -0.10722 -0.01170 0.01867 182 4YY -0.05673 -0.02454 -0.02006 -0.00618 -0.00263 183 4ZZ -0.14477 -0.03358 -0.07343 0.00267 0.07179 184 4XY -0.00248 -0.01034 -0.00005 0.00209 0.02905 185 4XZ -0.00617 -0.02315 0.01246 0.00545 0.00645 186 4YZ -0.01040 -0.02977 -0.00213 0.00298 0.00781 187 16 H 1S -0.06466 -0.03460 -0.08136 0.03078 0.03016 188 2S -0.16088 0.02619 0.24351 0.01509 -0.22149 189 17 H 1S -0.18504 -0.03319 0.09181 -0.14247 -0.00529 190 2S -0.14912 -0.05644 -0.12606 0.32469 0.42277 191 18 H 1S 0.17822 0.14338 0.36831 0.10009 -0.10734 192 2S -1.17127 -0.54088 -1.16689 -0.12041 -1.09568 193 19 C 1S 0.01503 0.00252 -0.00714 0.00714 0.00723 194 2S 0.07557 0.00244 -0.00872 -0.44687 0.21708 195 2PX -0.17913 -0.03077 0.02817 0.01933 0.09938 196 2PY -0.15678 -0.04228 0.07367 -0.27401 -0.00665 197 2PZ 0.01619 -0.02097 -0.03279 0.20159 -0.05192 198 3S 0.57724 0.09449 -0.54752 1.50246 -0.42941 199 3PX 0.18577 0.00076 -0.16499 0.34784 0.34569 200 3PY -0.25507 -0.01681 0.05926 0.65603 0.18042 201 3PZ 0.01614 0.00600 0.14015 -0.62407 0.03365 202 4XX -0.01017 -0.00597 -0.00255 -0.05158 -0.04198 203 4YY 0.04482 -0.00213 -0.05311 -0.02573 0.04282 204 4ZZ -0.00447 0.01064 0.04199 0.03305 0.03110 205 4XY 0.00067 0.00249 0.02302 0.00567 0.02173 206 4XZ 0.00739 -0.00471 -0.01318 0.06127 -0.00240 207 4YZ -0.00141 0.00110 0.01663 -0.00668 -0.00721 208 20 H 1S 0.14485 0.03248 -0.02805 0.03305 -0.06459 209 2S -0.19939 -0.00525 0.31663 -0.79450 -0.21247 210 21 H 1S 0.07940 0.00565 -0.08538 0.46781 0.03280 211 2S 0.09663 0.01801 0.14010 -1.23819 0.25861 212 22 H 1S 0.12930 0.05714 -0.01563 0.12657 0.08920 213 2S 0.02637 -0.06935 -0.13051 -0.05282 0.02496 214 23 H 1S -0.00708 -0.03137 -0.13976 -0.08946 -0.05746 215 2S 0.43555 0.14511 0.11997 -0.18404 0.04074 216 24 H 1S 0.04737 -0.06515 -0.28322 -0.02155 -0.10398 217 2S 0.76152 0.38350 0.80043 0.10063 0.37473 218 25 H 1S 0.01135 -0.01336 0.01953 -0.24192 0.00290 219 2S -0.23236 -0.04002 -0.04733 0.19905 -0.08318 220 26 H 1S 0.00864 -0.01460 0.13053 -0.72760 0.09608 221 2S -0.57925 -0.02202 0.09317 2.54855 -0.26896 222 27 H 1S -0.00505 0.05392 0.13741 0.23647 0.00876 223 2S -0.61666 -0.16268 -0.02748 -0.15121 -0.08539 224 28 C 1S -0.00242 0.00075 0.00268 0.00614 -0.00098 225 2S -0.09070 -0.03289 -0.03280 -0.32756 -0.00772 226 2PX 0.00136 0.00038 0.01422 -0.00527 -0.00407 227 2PY -0.01158 -0.02337 -0.01745 -0.30769 0.04008 228 2PZ 0.08441 0.01240 -0.03681 0.04129 -0.01242 229 3S 0.55540 0.12441 -0.20074 1.15041 -0.16155 230 3PX -0.13915 0.01262 0.13024 0.37428 -0.03807 231 3PY -0.29792 0.01847 0.25888 0.98559 -0.04584 232 3PZ 0.03465 -0.01797 -0.06050 -0.16885 0.00809 233 4XX -0.01717 -0.00439 -0.01072 -0.00007 -0.00307 234 4YY 0.00646 -0.00001 -0.00189 0.00015 -0.00451 235 4ZZ -0.00122 0.00101 0.00718 -0.03486 0.00303 236 4XY 0.01287 0.00269 -0.00137 0.03160 -0.00230 237 4XZ 0.02311 -0.00030 -0.01441 -0.00853 -0.00172 238 4YZ 0.02814 0.00051 -0.01516 -0.01764 -0.00002 239 29 H 1S -0.00710 0.01975 0.01072 0.33422 -0.03741 240 2S 0.20669 -0.05233 -0.17941 -1.60542 0.14363 241 30 H 1S 0.08159 0.01949 0.00339 0.09673 -0.00939 242 2S -0.21296 -0.03647 0.05153 -0.13352 0.00462 243 31 H 1S -0.03081 0.01485 0.06409 0.08501 -0.00122 244 2S 0.00700 -0.02147 -0.06984 -0.24009 -0.00466 245 32 H 1S -0.04176 -0.01852 -0.05259 -0.02150 -0.03679 246 2S 0.37563 0.09187 -0.11340 0.24649 -0.03505 247 33 H 1S -0.09336 -0.01758 0.00613 -0.11323 0.00471 248 2S 0.09393 0.01590 -0.01884 0.06725 -0.00037 249 34 H 1S 0.01896 -0.01848 -0.05602 -0.09973 -0.00361 250 2S -0.15326 0.01792 0.10385 0.11417 0.01124 151 152 153 154 155 V V V V V Eigenvalues -- 1.11888 1.14590 1.17919 1.20171 1.22297 1 1 C 1S 0.00081 0.00524 0.07846 -0.00509 0.01024 2 2S 0.02353 0.06403 1.22203 -0.02505 -0.07240 3 2PX -0.04666 0.01891 0.19293 0.00791 -0.17175 4 2PY 0.01616 -0.01792 -0.02488 0.03331 -0.09281 5 2PZ 0.00718 0.00049 0.00905 -0.02066 0.01434 6 3S -0.21208 -0.30688 -3.38938 0.54821 -1.69432 7 3PX -0.24736 0.01653 -0.14848 0.13834 -0.94422 8 3PY 0.23909 -0.12679 -0.36900 0.15022 -0.03024 9 3PZ -0.03313 0.03210 0.09198 -0.04367 0.09452 10 4XX -0.01459 0.00995 0.03883 -0.00676 0.00944 11 4YY -0.01435 0.00634 0.06576 0.01245 -0.06435 12 4ZZ 0.02385 -0.00408 0.09170 -0.00696 0.02231 13 4XY -0.02049 0.00123 0.01497 0.01560 -0.09213 14 4XZ 0.01198 -0.00255 0.00349 -0.00556 0.02360 15 4YZ 0.00281 0.00061 -0.00554 0.00458 0.08022 16 2 C 1S -0.02025 0.00512 -0.02755 -0.00054 -0.04444 17 2S -0.67494 0.23798 -0.19001 -0.18511 -0.68466 18 2PX -0.26874 0.12021 0.08264 -0.15705 -0.00843 19 2PY 0.05028 -0.00475 -0.22618 -0.07705 0.37297 20 2PZ 0.02514 -0.01409 0.05643 0.02736 -0.11247 21 3S 2.97861 -1.16799 0.04804 0.48813 4.08720 22 3PX 1.94141 -1.05222 -2.49951 0.96138 0.99039 23 3PY -0.80496 0.10849 1.26109 0.43641 -3.04629 24 3PZ -0.01043 0.07483 -0.18006 -0.16211 0.84036 25 4XX 0.00238 -0.01685 -0.10610 0.01107 -0.06670 26 4YY -0.06342 0.02893 0.00949 -0.02539 -0.01594 27 4ZZ 0.00979 0.00506 0.08501 -0.00354 0.04344 28 4XY -0.01807 0.00529 0.07857 0.00851 -0.09322 29 4XZ 0.01873 -0.00489 0.02267 -0.02138 -0.02946 30 4YZ 0.02933 -0.00835 0.00453 0.00978 0.05241 31 3 C 1S -0.00247 -0.00607 -0.03493 0.00859 0.01650 32 2S 0.23094 -0.24501 -0.87314 0.33579 0.31961 33 2PX -0.18758 0.08915 0.21818 -0.01490 -0.06038 34 2PY -0.03065 -0.00881 -0.03051 0.06165 -0.17707 35 2PZ -0.01590 0.00816 -0.01995 0.02720 0.08054 36 3S -1.70964 1.33523 3.84179 -1.15674 -2.37226 37 3PX 2.22130 -0.89911 -1.92840 0.25067 2.48206 38 3PY 0.40248 0.25435 0.51026 -0.41934 1.89321 39 3PZ -0.24440 0.00085 0.12416 0.01102 -0.85028 40 4XX -0.05929 0.01140 -0.05204 0.00772 -0.06646 41 4YY 0.05105 -0.02197 -0.11098 0.03524 0.11319 42 4ZZ 0.02576 -0.00809 0.09615 -0.00877 -0.00117 43 4XY 0.05037 -0.01637 -0.00043 0.03791 0.00490 44 4XZ -0.01806 0.00986 -0.02186 0.00536 0.10144 45 4YZ -0.00056 0.00672 0.04387 -0.01663 -0.00619 46 4 C 1S 0.02043 -0.00835 0.02972 0.01611 0.02407 47 2S 0.64701 -0.16679 0.52703 0.34116 0.11450 48 2PX -0.09806 -0.00800 -0.15246 -0.08454 0.23209 49 2PY 0.00467 0.03449 -0.02406 0.02601 -0.08513 50 2PZ 0.02582 -0.04503 0.04310 0.04246 -0.03735 51 3S -1.88105 0.19577 -1.32613 -0.47811 -1.88740 52 3PX 0.72197 0.12009 0.82954 0.11948 -0.15594 53 3PY 0.55426 -0.29451 -0.67457 -0.20415 1.10202 54 3PZ 0.09663 -0.02149 -0.08570 -0.06451 -0.14086 55 4XX 0.02028 -0.00397 0.00685 0.00822 0.07184 56 4YY 0.00655 -0.02155 0.05691 0.04118 -0.10767 57 4ZZ 0.06195 -0.01157 0.01872 0.00806 0.05750 58 4XY 0.02049 -0.01849 -0.03337 0.03168 -0.08413 59 4XZ -0.00360 -0.00320 0.04553 -0.00004 -0.02698 60 4YZ 0.00540 -0.00473 0.00784 -0.03354 -0.04969 61 5 C 1S 0.03525 -0.02279 0.00101 0.00907 -0.02225 62 2S 0.53718 -0.30111 0.06957 0.32800 -0.20302 63 2PX 0.08627 0.01135 -0.02096 0.14400 0.01085 64 2PY -0.02733 0.02781 -0.10525 -0.05775 0.12337 65 2PZ -0.17088 0.03208 0.01182 -0.03994 -0.04811 66 3S -0.23130 1.20937 -0.11497 -0.83739 1.60476 67 3PX 0.44625 0.13351 -0.42306 -0.58066 0.66028 68 3PY -0.04995 0.34966 0.72707 -0.07202 -0.64191 69 3PZ 0.18871 -0.04012 -0.03633 0.07643 -0.17875 70 4XX 0.05827 -0.03595 -0.00486 -0.00439 -0.00004 71 4YY 0.06150 -0.00376 0.03196 0.04566 -0.01112 72 4ZZ 0.01015 -0.01319 -0.01481 -0.00186 -0.00602 73 4XY 0.05382 0.01904 -0.00293 0.01522 0.07053 74 4XZ -0.00072 -0.00396 0.04087 0.01742 -0.02150 75 4YZ -0.03890 -0.00116 0.01739 -0.01195 0.05784 76 6 C 1S 0.01460 0.00307 0.00063 -0.00185 0.01989 77 2S 0.27941 -0.36565 0.11420 0.25293 0.25350 78 2PX -0.24319 -0.23456 0.01892 0.27352 0.11512 79 2PY -0.29330 -0.01166 0.01190 -0.05905 -0.13627 80 2PZ 0.03978 0.03419 -0.00196 -0.03827 0.02171 81 3S -2.34170 1.60678 -0.17624 -0.01880 -1.23705 82 3PX -0.55101 1.81873 0.26099 -1.08347 -0.00347 83 3PY 2.03939 -0.02005 -0.49782 0.57785 1.42721 84 3PZ -0.11917 -0.29710 0.02854 0.08304 -0.22981 85 4XX 0.00402 0.05089 -0.00320 -0.00278 0.04632 86 4YY 0.00159 -0.05564 0.00106 0.03120 -0.00493 87 4ZZ 0.01774 -0.02319 0.01213 -0.00187 -0.03327 88 4XY 0.08137 -0.04655 -0.01466 0.00552 -0.01069 89 4XZ 0.00427 -0.00962 -0.03865 -0.02356 -0.02865 90 4YZ -0.01752 0.01750 0.01120 -0.00719 -0.00995 91 7 C 1S -0.02211 0.01607 0.00097 -0.01295 -0.00002 92 2S -0.52725 0.44489 -0.06689 -0.56003 0.00799 93 2PX 0.07957 -0.24601 0.03811 0.03627 -0.05133 94 2PY -0.10432 0.13166 0.02109 0.04257 0.08868 95 2PZ 0.01328 0.02124 -0.02111 -0.00886 -0.02024 96 3S 2.22267 -3.32166 -0.08141 1.39970 0.56136 97 3PX -2.07893 0.72068 0.15373 -0.52401 -0.55331 98 3PY 0.99093 -1.45650 -0.14127 -1.06883 -1.12331 99 3PZ 0.15552 0.09843 0.03112 0.26556 0.31304 100 4XX -0.01110 0.02890 -0.00047 0.01094 0.05308 101 4YY -0.07274 -0.00041 -0.00871 -0.10859 -0.02886 102 4ZZ 0.03705 -0.00250 -0.00932 0.01598 -0.03615 103 4XY -0.01270 0.01047 -0.00432 -0.01063 -0.00239 104 4XZ -0.00434 -0.00623 0.02489 0.01627 -0.00191 105 4YZ 0.02238 -0.00194 -0.01254 0.01787 0.00570 106 8 C 1S 0.01119 0.02858 -0.00265 0.00879 -0.00722 107 2S 0.27194 0.89804 -0.02881 0.48225 -0.11199 108 2PX -0.18410 0.10993 -0.00422 0.24103 -0.04894 109 2PY 0.19170 0.35106 -0.03110 -0.22272 -0.01652 110 2PZ -0.00100 -0.07701 0.00320 -0.01341 0.01439 111 3S -0.68583 -4.04204 0.34287 -0.14275 1.41008 112 3PX 0.60933 -2.78843 0.10681 -1.50730 -0.19006 113 3PY -1.60460 -1.07264 0.15844 0.23775 -0.00347 114 3PZ 0.17067 0.67525 -0.05677 0.23702 0.01163 115 4XX -0.04579 0.00272 0.00908 0.05027 0.01841 116 4YY 0.12240 0.10565 -0.01585 -0.01601 -0.01247 117 4ZZ -0.01153 -0.00558 0.00403 -0.00496 -0.02482 118 4XY 0.00966 0.04728 -0.00618 -0.01766 0.00363 119 4XZ 0.01590 -0.01014 -0.01144 -0.01401 -0.02572 120 4YZ -0.01500 -0.03210 -0.00916 -0.00128 -0.01313 121 9 C 1S 0.00011 -0.04146 0.00377 -0.01998 0.00929 122 2S -0.00760 -1.06347 0.11183 -0.21305 0.34604 123 2PX 0.20248 0.06692 -0.03062 -0.30423 -0.11177 124 2PY 0.01647 -0.17834 0.00874 -0.12433 -0.03284 125 2PZ -0.03901 0.01605 0.00700 0.07542 0.02552 126 3S -1.14953 5.36338 -0.45379 1.91800 -1.09175 127 3PX -0.61758 -1.33802 0.23244 1.71714 0.65657 128 3PY 0.61083 1.63009 -0.03590 1.03145 0.37204 129 3PZ 0.00106 -0.01073 -0.03268 -0.46689 -0.16103 130 4XX -0.01364 -0.07409 0.00950 -0.03041 0.01386 131 4YY -0.01796 -0.01818 -0.00016 -0.04497 0.03751 132 4ZZ 0.02964 -0.01479 -0.00070 0.01698 -0.02564 133 4XY 0.03440 -0.07495 -0.00070 -0.12781 -0.00661 134 4XZ 0.00075 0.02350 -0.00006 0.03202 -0.00171 135 4YZ 0.00790 0.01434 -0.00715 0.03413 -0.01898 136 10 C 1S -0.01620 0.00840 -0.00008 0.00717 0.00381 137 2S -0.24657 0.42805 -0.01709 0.33413 0.04242 138 2PX -0.06167 -0.20015 0.03660 0.22090 0.03250 139 2PY 0.04581 0.22552 -0.04289 -0.04986 -0.07822 140 2PZ -0.00122 0.00210 0.00331 -0.03140 0.01025 141 3S 1.54879 -0.65084 -0.02383 -0.79130 -0.19925 142 3PX 0.43167 1.22952 -0.31408 -1.87768 -0.85175 143 3PY 0.37547 -0.71610 0.19654 -0.06363 0.55898 144 3PZ -0.11501 -0.11117 0.01626 0.34445 0.04893 145 4XX 0.00398 0.01594 0.00703 0.03061 -0.00043 146 4YY -0.04650 0.03114 -0.00581 0.01122 0.02527 147 4ZZ 0.02010 -0.02696 -0.00155 -0.00689 -0.02355 148 4XY 0.02608 -0.01354 -0.00247 -0.04914 -0.01031 149 4XZ 0.00034 -0.00784 -0.00268 -0.00012 -0.00528 150 4YZ 0.00307 -0.00835 0.00540 0.00593 0.00034 151 11 C 1S 0.01574 0.00314 -0.00166 0.01696 -0.02587 152 2S 0.13069 0.00343 -0.01145 0.50874 -0.32417 153 2PX 0.02419 0.03699 -0.01891 -0.19161 -0.01677 154 2PY -0.11074 0.01498 0.01019 0.22108 0.00969 155 2PZ 0.01463 -0.00929 0.00036 0.00085 0.00089 156 3S -0.84745 -0.60744 0.24014 0.15026 1.39489 157 3PX 0.27773 0.27291 -0.08896 -0.48230 -0.32281 158 3PY 0.21160 0.20567 -0.05484 -0.34861 -0.06946 159 3PZ -0.09645 -0.07878 0.03407 0.13914 0.08085 160 4XX -0.02101 0.01052 0.00634 0.10361 -0.00351 161 4YY 0.03133 0.04931 -0.00621 0.00027 -0.02717 162 4ZZ 0.00539 -0.06303 0.00066 -0.00701 -0.01435 163 4XY 0.00907 0.05802 -0.00918 0.01418 -0.02493 164 4XZ 0.00265 -0.02553 0.00162 -0.02579 0.00451 165 4YZ -0.00462 -0.03166 0.00114 -0.00493 0.00420 166 12 H 1S 0.11716 0.13894 -0.01638 0.02169 -0.11332 167 2S 0.16653 -0.03068 -0.03866 -0.09061 -0.16972 168 13 H 1S 0.03756 -0.03923 0.00261 0.09708 -0.08192 169 2S -0.01560 0.03263 0.00690 0.28506 -0.09080 170 14 H 1S 0.04024 -0.03946 -0.00033 0.09701 -0.08622 171 2S -0.00325 0.03191 0.00031 0.28523 -0.09930 172 15 O 1S 0.00238 -0.00719 0.00012 0.00755 -0.00124 173 2S 0.20897 -0.08039 -0.01926 -0.15678 -0.10215 174 2PX -0.21368 -0.07966 -0.03320 -0.06412 -0.01857 175 2PY 0.22877 0.06283 0.01305 -0.19564 -0.01739 176 2PZ 0.00230 0.00613 0.00717 0.03974 0.00272 177 3S -0.36197 0.52571 -0.00100 -0.27150 0.13648 178 3PX 0.26337 0.01268 0.08718 0.17668 0.10514 179 3PY -0.35039 0.15763 -0.06640 0.08856 -0.07688 180 3PZ 0.00228 -0.02834 -0.00640 -0.04257 0.00326 181 4XX 0.01444 0.00561 -0.01417 -0.05120 -0.02368 182 4YY 0.07496 0.01888 0.00024 -0.03971 -0.02573 183 4ZZ 0.07202 -0.09867 0.00057 0.01511 -0.02898 184 4XY 0.01162 -0.01606 -0.00140 -0.00921 -0.00349 185 4XZ 0.01220 -0.02019 0.00171 0.01620 -0.00359 186 4YZ -0.00267 -0.01824 0.00065 0.01165 -0.00061 187 16 H 1S 0.05123 -0.25949 -0.01054 -0.57994 -0.07600 188 2S 0.18942 -0.68140 -0.00739 -0.92761 -0.19169 189 17 H 1S 0.39339 0.15239 -0.06567 -0.06157 -0.13358 190 2S 0.69185 1.45664 -0.09265 0.09146 -0.12116 191 18 H 1S -0.09068 -0.16974 0.00850 -0.28299 -0.27507 192 2S 0.61050 -0.17894 -0.11135 -0.70154 -0.56664 193 19 C 1S 0.01615 -0.02506 -0.00478 0.00995 -0.02792 194 2S 0.10671 -0.63271 -0.07826 0.05315 -0.57308 195 2PX -0.07894 -0.13707 -0.00485 0.03844 -0.00031 196 2PY -0.01909 -0.05895 -0.06456 -0.00655 0.15921 197 2PZ 0.05672 0.03743 0.03122 -0.01001 -0.02310 198 3S -1.06078 1.61414 0.60261 -0.42180 0.69027 199 3PX -0.13090 -0.03101 0.13365 0.20520 -0.14004 200 3PY 0.41177 0.35782 -0.05155 0.35703 0.04731 201 3PZ -0.18496 -0.06731 -0.07612 -0.06911 0.03922 202 4XX 0.07000 0.02857 -0.02135 -0.01465 -0.01850 203 4YY -0.04259 -0.05699 0.00550 0.01529 -0.03501 204 4ZZ -0.00180 -0.06048 0.01593 0.00685 -0.03365 205 4XY -0.02968 -0.00172 -0.00483 0.01288 0.02053 206 4XZ 0.01093 -0.01126 -0.00241 -0.00517 -0.00104 207 4YZ 0.01535 -0.00292 -0.01409 -0.01038 0.01058 208 20 H 1S 0.12645 0.11030 -0.06462 0.04884 -0.08168 209 2S 0.00750 -0.96008 -0.09569 -0.28937 -0.13086 210 21 H 1S 0.10598 -0.09048 0.04264 0.06707 -0.13000 211 2S -0.23741 -0.32669 -0.15087 0.00580 -0.15872 212 22 H 1S 0.01638 -0.11709 0.01410 0.06436 -0.11988 213 2S 0.10555 -0.24588 -0.02838 -0.00515 -0.21089 214 23 H 1S 0.18532 -0.11123 -0.09288 -0.03395 0.02728 215 2S 0.12492 -0.10465 -0.13430 0.02981 0.07278 216 24 H 1S 0.18227 -0.06451 0.14385 0.00785 -0.24552 217 2S -0.22905 -0.02941 0.38719 0.20520 -0.41420 218 25 H 1S 0.10481 -0.07126 -0.02872 0.03860 0.13912 219 2S 0.20559 -0.11973 -0.02377 0.03764 0.32374 220 26 H 1S -0.09823 -0.02686 0.30260 0.06092 0.03930 221 2S 0.49428 0.18115 0.50344 0.21232 -0.46565 222 27 H 1S 0.01993 0.03356 0.03074 -0.01540 0.40294 223 2S 0.10787 0.05244 0.00894 -0.06927 0.73349 224 28 C 1S -0.00370 0.00659 0.05873 -0.01357 0.03559 225 2S -0.09534 0.13245 0.89031 -0.28346 0.80641 226 2PX -0.04816 0.03826 0.09107 -0.07656 0.16236 227 2PY -0.07167 -0.00755 0.02263 0.01532 -0.12267 228 2PZ 0.03543 -0.01105 -0.02278 -0.01128 0.00682 229 3S 0.59397 -0.36294 -3.47650 0.53018 -0.72481 230 3PX -0.17807 0.11478 -0.38917 -0.15636 0.09632 231 3PY -0.09243 0.12383 0.58354 -0.04960 -0.34698 232 3PZ 0.03463 -0.02269 -0.06317 0.04276 0.04106 233 4XX 0.02523 -0.00369 0.07702 0.01796 -0.02535 234 4YY -0.02337 0.01662 -0.00789 -0.04584 0.05669 235 4ZZ -0.01233 0.00827 0.06555 -0.01355 0.08382 236 4XY 0.01140 -0.00410 0.03081 0.00232 -0.02378 237 4XZ 0.00025 0.00056 0.00144 -0.00834 -0.00275 238 4YZ 0.01152 -0.00616 0.04459 -0.00146 -0.03877 239 29 H 1S 0.10138 -0.00291 0.24816 0.01008 0.03429 240 2S -0.16237 -0.02935 0.47819 -0.09165 0.50081 241 30 H 1S -0.02569 0.03298 0.20709 -0.07823 0.13726 242 2S -0.09658 0.07686 0.27211 -0.09765 0.26334 243 31 H 1S -0.04372 0.03677 0.18353 -0.06597 0.18726 244 2S -0.05753 0.04857 0.23654 -0.13695 0.24207 245 32 H 1S 0.07884 0.00754 0.23798 -0.02984 0.22047 246 2S 0.21025 -0.02894 0.50552 -0.01424 0.32112 247 33 H 1S -0.00870 0.02047 0.30511 -0.00641 0.01437 248 2S -0.01638 0.02799 0.43528 -0.01178 -0.18062 249 34 H 1S 0.00973 0.01491 0.32691 -0.01824 -0.02959 250 2S -0.03572 0.03624 0.37975 0.01795 -0.10753 156 157 158 159 160 V V V V V Eigenvalues -- 1.23127 1.28372 1.30766 1.34447 1.36087 1 1 C 1S -0.00290 -0.01014 0.00537 0.00800 0.00810 2 2S 0.08971 -0.19127 0.06523 0.20182 0.15553 3 2PX 0.09432 -0.00618 0.00858 0.06313 0.00878 4 2PY 0.07504 -0.03934 0.00381 -0.01598 0.01456 5 2PZ -0.03885 0.03310 0.00314 -0.00909 -0.04624 6 3S 0.95899 0.14829 -0.19144 -0.42854 -0.24585 7 3PX 0.56057 0.04606 -0.03115 0.05514 -0.03917 8 3PY 0.02721 -0.15768 -0.04175 -0.05941 0.05809 9 3PZ -0.06072 0.03379 0.00224 0.07298 0.04421 10 4XX -0.01417 -0.00480 0.00511 -0.02619 0.00395 11 4YY 0.06151 -0.02313 0.00121 0.01641 0.05003 12 4ZZ -0.02199 0.00290 0.00298 0.03054 -0.03657 13 4XY 0.05777 -0.00426 -0.00133 0.00548 0.00518 14 4XZ -0.01930 0.00234 0.00114 -0.00426 -0.00386 15 4YZ -0.01132 -0.04545 -0.00256 -0.02393 0.10175 16 2 C 1S 0.02287 0.01861 -0.00351 0.00062 -0.01076 17 2S 0.28897 0.52115 -0.06682 0.21710 -0.21299 18 2PX -0.05333 0.23344 -0.01567 0.22762 -0.05280 19 2PY -0.24207 0.06098 -0.01034 -0.04034 -0.00371 20 2PZ 0.05755 -0.02819 0.00047 0.02344 0.05433 21 3S -1.66143 -2.09121 0.04450 0.44362 1.38934 22 3PX 0.02077 -1.56583 -0.12189 -0.56518 0.77568 23 3PY 1.71184 -0.22825 0.07219 0.62660 0.12419 24 3PZ -0.41508 0.13225 -0.01044 -0.16864 -0.15521 25 4XX 0.02740 0.01135 -0.00612 0.01560 -0.02356 26 4YY 0.01063 0.05249 -0.00937 0.04735 0.00466 27 4ZZ -0.01898 -0.02706 0.00849 -0.03411 0.01035 28 4XY 0.04410 0.00073 0.00941 -0.00995 -0.05674 29 4XZ -0.05267 0.07327 0.01371 -0.03910 -0.23245 30 4YZ -0.00340 -0.03403 -0.00945 0.06654 0.08575 31 3 C 1S -0.01429 -0.02032 0.00357 -0.02587 0.00957 32 2S -0.04620 -0.66598 0.10133 -0.48080 0.23675 33 2PX 0.04874 -0.00494 0.05180 -0.03795 -0.05730 34 2PY 0.12411 -0.13931 0.00451 0.05807 0.09421 35 2PZ -0.01633 -0.04853 0.00511 -0.11576 0.00569 36 3S 1.18070 2.57675 -0.27338 1.57928 -1.37863 37 3PX -0.60489 -0.70137 -0.40567 0.88655 0.70454 38 3PY -1.13207 0.61119 0.03970 -1.22898 -0.73456 39 3PZ 0.33578 0.01329 0.02298 0.33944 0.18683 40 4XX 0.05827 -0.00832 -0.00414 0.00409 0.03833 41 4YY -0.05117 -0.05042 0.00900 -0.05510 -0.01487 42 4ZZ -0.01436 -0.00159 0.00743 -0.01096 -0.01741 43 4XY 0.06691 -0.06661 -0.00834 0.03289 0.07495 44 4XZ 0.02752 -0.05357 -0.02155 0.09754 0.23402 45 4YZ 0.02489 0.03418 -0.02455 0.13371 0.01017 46 4 C 1S 0.00525 -0.03282 -0.00204 0.00960 0.00737 47 2S 0.26759 -0.60225 0.04674 0.24841 0.07744 48 2PX -0.21104 0.05704 0.01314 0.19402 0.02239 49 2PY -0.00785 -0.03101 0.05686 -0.12152 -0.04042 50 2PZ 0.00236 -0.03490 0.01981 -0.07005 -0.04694 51 3S -0.12198 1.18998 0.09972 -0.39304 0.03568 52 3PX 0.12595 0.14485 -0.00747 -1.21855 -0.53463 53 3PY 0.14248 0.35427 -0.37006 1.54820 0.16020 54 3PZ -0.12651 0.27674 -0.00077 0.60179 -0.04930 55 4XX -0.05416 0.00920 0.00558 0.01949 -0.03859 56 4YY 0.02212 -0.04046 0.02609 -0.16933 -0.08583 57 4ZZ 0.04871 -0.05424 -0.03306 0.18402 0.15549 58 4XY 0.03670 -0.04236 -0.00503 -0.03356 0.01272 59 4XZ -0.04116 0.00803 0.03091 -0.08292 -0.05485 60 4YZ -0.07516 0.06438 -0.00030 -0.01336 -0.13961 61 5 C 1S -0.03536 -0.00398 0.00478 0.01811 0.01043 62 2S -0.27355 -0.25544 0.12300 0.41772 0.11653 63 2PX 0.02054 -0.12064 0.07894 -0.28132 -0.12596 64 2PY 0.04897 0.00653 0.02556 0.04447 -0.02618 65 2PZ -0.05277 0.03870 0.03164 0.02197 -0.01128 66 3S 2.25406 0.51000 -0.10581 -0.17807 -1.19309 67 3PX 0.67252 1.09125 -0.16541 2.16774 -0.37114 68 3PY 0.06673 -0.13294 0.04198 -1.11081 -0.12082 69 3PZ -0.02492 0.15648 -0.01422 -0.67326 -0.23491 70 4XX 0.01924 -0.04671 -0.00123 0.08738 0.04618 71 4YY 0.00628 -0.02388 0.01084 -0.04953 0.06831 72 4ZZ -0.05846 0.05120 0.00677 0.02798 -0.11743 73 4XY 0.06530 0.01075 0.01219 0.00740 -0.06254 74 4XZ -0.02518 -0.04821 0.00578 -0.02506 0.09224 75 4YZ -0.02871 -0.02648 -0.04680 0.15950 0.17500 76 6 C 1S 0.03790 0.01679 -0.00019 -0.00039 -0.02636 77 2S 0.58434 0.36912 0.01980 -0.03843 -0.47858 78 2PX -0.10075 -0.03123 0.00919 0.00637 0.07903 79 2PY -0.15874 -0.09570 -0.05370 -0.25063 0.19528 80 2PZ 0.00153 -0.01940 -0.02238 0.08290 0.00642 81 3S -2.32159 -1.23628 -0.26097 -1.28451 2.39239 82 3PX 1.12045 -0.22917 -0.06896 -1.05455 -0.13165 83 3PY 1.17208 0.62485 0.43869 3.02791 -1.64084 84 3PZ -0.29127 -0.01855 -0.15025 -0.29119 0.18997 85 4XX 0.08882 0.04570 0.06107 -0.00948 -0.11187 86 4YY 0.03096 0.00982 -0.06665 -0.03118 -0.00387 87 4ZZ -0.08242 -0.03629 0.00921 0.01737 0.08871 88 4XY 0.01480 -0.01098 0.00546 0.00983 -0.08843 89 4XZ -0.01600 0.11316 0.15724 0.02760 -0.19006 90 4YZ -0.02650 -0.04659 -0.20777 -0.04314 0.01851 91 7 C 1S -0.00043 -0.00919 -0.00002 -0.00558 0.01337 92 2S 0.10557 -0.13170 -0.05012 -0.17424 0.27076 93 2PX -0.04377 -0.21098 0.10052 -0.14122 -0.07346 94 2PY 0.12419 -0.26803 0.10708 -0.02245 -0.12208 95 2PZ -0.01776 0.06936 -0.03833 0.00967 0.09012 96 3S 0.08738 0.93814 0.18103 1.82148 -1.72017 97 3PX -0.50786 0.55417 -0.76322 -1.49418 1.45194 98 3PY -1.35010 1.31918 -0.66824 0.08856 0.77069 99 3PZ 0.28131 -0.32661 0.31029 0.27860 -0.32391 100 4XX 0.05669 -0.01283 -0.10384 -0.01945 0.02857 101 4YY -0.02773 -0.05217 -0.03316 0.05429 -0.01689 102 4ZZ -0.04786 0.05015 0.13047 -0.01319 0.00986 103 4XY 0.01152 -0.05372 -0.06490 -0.03049 -0.01810 104 4XZ -0.04148 -0.11350 -0.30563 -0.00810 0.11119 105 4YZ 0.00493 0.03057 -0.10949 0.02449 -0.18935 106 8 C 1S -0.00945 0.00824 -0.00686 -0.01021 0.01206 107 2S -0.16299 0.14243 -0.10137 -0.21794 0.16925 108 2PX -0.16406 0.02906 -0.03787 -0.05068 0.15460 109 2PY 0.03197 -0.10564 0.03719 0.07541 -0.06350 110 2PZ 0.02905 0.02239 -0.01098 0.00515 -0.07548 111 3S 1.85454 -0.30633 0.82244 1.78233 -2.02433 112 3PX 0.31569 0.83602 -0.21652 0.48927 -0.80208 113 3PY -0.02231 -0.01913 -0.25388 -1.56714 0.57818 114 3PZ -0.05391 -0.14076 0.09938 0.14180 0.04098 115 4XX 0.03162 0.02114 0.11900 -0.02351 0.04004 116 4YY 0.01000 0.07801 -0.00646 0.01512 -0.00617 117 4ZZ -0.06079 -0.08235 -0.11898 0.00525 -0.03006 118 4XY 0.03047 -0.02252 0.08641 -0.04293 -0.02018 119 4XZ -0.01842 0.08488 0.35388 -0.00779 0.12504 120 4YZ -0.00883 0.03458 0.07086 0.01846 -0.14866 121 9 C 1S 0.01925 0.01452 -0.00316 0.00618 -0.00189 122 2S 0.53674 0.38235 -0.05165 0.18363 -0.10704 123 2PX -0.05894 -0.06851 -0.01856 -0.07535 0.11098 124 2PY -0.00775 -0.05414 0.01793 -0.04134 -0.07699 125 2PZ 0.00979 0.01189 -0.02003 0.02002 -0.01103 126 3S -2.27570 -2.31621 0.42375 -1.09161 0.66278 127 3PX 0.51003 0.84780 0.06019 1.40044 -0.91410 128 3PY 0.27817 0.98183 -0.36303 0.30354 0.99374 129 3PZ -0.13191 -0.32386 -0.05524 -0.29201 -0.00578 130 4XX 0.03269 0.02718 -0.08586 -0.02566 -0.00832 131 4YY 0.07183 0.01062 0.07560 -0.00644 0.04580 132 4ZZ -0.05396 -0.02135 0.00669 0.02882 -0.03708 133 4XY 0.03387 0.00354 0.01457 -0.02573 0.00513 134 4XZ -0.02465 -0.05017 -0.19561 0.03382 -0.15920 135 4YZ -0.02375 0.06136 0.28226 -0.00928 0.12957 136 10 C 1S 0.00471 -0.01959 0.00647 0.00227 -0.00099 137 2S -0.01071 -0.19603 0.07530 0.14811 -0.03280 138 2PX 0.02781 0.12197 -0.04165 -0.03003 0.04354 139 2PY -0.13925 -0.16166 0.05404 0.10437 -0.08489 140 2PZ 0.01453 -0.01168 -0.04945 -0.00809 -0.00530 141 3S -0.38149 0.61638 -0.05863 0.51010 -0.37350 142 3PX -1.02053 -1.43202 0.39822 -0.34427 -0.50586 143 3PY 1.15956 1.71231 -0.65436 -0.66799 1.18411 144 3PZ 0.01026 0.06916 0.30468 0.14685 -0.00001 145 4XX 0.01313 0.04799 0.00451 -0.03505 0.04319 146 4YY 0.01275 -0.09089 -0.03799 0.06227 -0.06789 147 4ZZ -0.03823 0.01411 0.04902 0.00443 0.00411 148 4XY -0.01597 -0.05130 -0.01756 0.02856 -0.05669 149 4XZ -0.00733 0.01775 0.08337 -0.00284 0.03497 150 4YZ -0.00965 -0.02934 -0.27059 0.00863 -0.16830 151 11 C 1S -0.04903 -0.00242 0.00585 0.00994 -0.03520 152 2S -0.71127 0.05409 0.06736 0.19924 -0.48356 153 2PX 0.01632 -0.11536 0.02468 -0.02129 0.01288 154 2PY -0.04605 -0.00278 0.01993 0.06408 -0.07073 155 2PZ 0.00507 0.02104 -0.01237 -0.00489 0.00034 156 3S 2.50083 0.86235 -0.45742 -0.44389 1.68267 157 3PX -0.48735 -0.38666 0.09935 0.05519 -0.40701 158 3PY -0.04145 -0.21819 0.00329 -0.04476 0.10346 159 3PZ 0.08789 0.04548 -0.24889 0.01186 -0.03529 160 4XX -0.02441 0.02867 -0.03741 0.00039 -0.01490 161 4YY -0.04173 0.00496 0.01821 -0.00614 0.00116 162 4ZZ -0.03493 -0.01709 0.02610 0.03134 -0.04528 163 4XY -0.04970 -0.04106 0.01503 0.01488 -0.02752 164 4XZ 0.00483 -0.02413 -0.08877 0.01310 -0.06105 165 4YZ 0.01169 0.02212 0.07565 -0.00189 0.02996 166 12 H 1S -0.19120 -0.01820 0.01338 0.00260 -0.08884 167 2S -0.30344 -0.13179 0.06071 0.06272 -0.13764 168 13 H 1S -0.17253 -0.00417 -0.04093 0.04606 -0.16355 169 2S -0.23542 0.04000 -0.06186 0.06803 -0.16580 170 14 H 1S -0.17071 0.02420 0.07864 0.03711 -0.10414 171 2S -0.23173 0.07128 0.08052 0.05827 -0.10183 172 15 O 1S -0.00636 -0.00211 0.00374 0.01063 -0.01052 173 2S -0.13130 -0.02964 0.02992 0.03708 -0.11194 174 2PX -0.11007 -0.48298 0.19806 0.19619 -0.20879 175 2PY 0.07478 0.14973 -0.06844 -0.14189 0.08315 176 2PZ 0.00436 0.07321 0.00824 -0.01567 0.03229 177 3S 0.41327 0.10754 -0.21023 -0.59439 0.60259 178 3PX 0.36133 1.12506 -0.50900 -0.56024 0.63324 179 3PY -0.22972 -0.44320 0.12652 0.14059 -0.16174 180 3PZ -0.02581 -0.17832 -0.11008 0.09148 -0.17037 181 4XX -0.03290 -0.05715 0.05589 0.00768 -0.01295 182 4YY -0.00773 0.06567 -0.02480 -0.06380 0.04710 183 4ZZ -0.06928 0.00599 -0.01738 0.08622 -0.11806 184 4XY -0.01346 -0.02559 0.04079 0.05103 -0.03660 185 4XZ -0.00446 0.03938 0.09480 -0.00075 0.06513 186 4YZ -0.00922 0.00082 0.02649 0.01550 0.00121 187 16 H 1S 0.03963 -0.18595 0.02833 -0.21081 -0.04131 188 2S -0.04827 -0.29277 0.05162 -0.33909 -0.09667 189 17 H 1S -0.19154 0.06723 -0.01223 0.26302 -0.01040 190 2S -0.16412 -0.22476 0.12312 0.42522 -0.12857 191 18 H 1S -0.37448 -0.21128 0.02322 0.15561 0.07697 192 2S -0.47743 1.24740 -0.61262 -0.63968 0.82735 193 19 C 1S -0.04785 0.02500 -0.00859 0.01999 0.01531 194 2S -0.90933 0.45353 -0.16977 0.05079 0.31413 195 2PX -0.12817 0.02132 -0.01174 0.05408 0.07850 196 2PY 0.12050 -0.00770 0.03247 0.14279 -0.06912 197 2PZ 0.01878 0.00888 0.03912 -0.01119 -0.05043 198 3S 1.99211 -1.30887 0.19564 -1.86369 -0.21543 199 3PX -0.05094 -0.06638 0.03838 -0.33922 -0.00018 200 3PY -0.18258 0.00202 0.09307 0.68714 -0.05241 201 3PZ -0.03660 0.00598 0.09154 -0.05842 0.16033 202 4XX -0.00381 0.04584 0.01342 -0.00165 -0.04065 203 4YY -0.04220 0.03425 0.02619 -0.02442 0.02761 204 4ZZ -0.08281 -0.02362 -0.06059 0.02841 0.04245 205 4XY -0.03366 -0.00594 0.04802 0.07208 0.01547 206 4XZ 0.00205 0.02599 0.08017 0.04310 -0.02961 207 4YZ 0.00438 0.04250 0.17239 0.08064 -0.03751 208 20 H 1S -0.12918 0.02195 -0.00213 0.09547 0.01860 209 2S -0.32734 0.37444 -0.13446 0.16830 0.12891 210 21 H 1S -0.16548 0.08998 0.03067 0.08258 0.05033 211 2S -0.40040 0.18804 -0.04159 -0.13062 0.19484 212 22 H 1S -0.19581 0.06610 -0.09251 0.05517 0.08635 213 2S -0.25378 0.21486 -0.06364 -0.05244 -0.05074 214 23 H 1S -0.09661 0.09184 -0.05610 0.43213 0.09705 215 2S -0.02860 0.01673 0.07749 0.79494 0.16015 216 24 H 1S -0.21617 0.00337 -0.00957 -0.28333 0.16631 217 2S -0.32515 -0.42948 0.08400 -0.15257 0.07567 218 25 H 1S 0.01691 -0.05417 -0.04623 0.32260 0.01501 219 2S 0.01371 -0.10580 0.00312 0.65614 0.12180 220 26 H 1S -0.11548 -0.14056 0.05969 -0.39667 -0.03655 221 2S 0.13593 -0.30014 0.11084 -0.24441 -0.15361 222 27 H 1S -0.34974 -0.06119 0.05486 -0.44690 -0.07463 223 2S -0.35559 0.06669 0.08686 -0.73480 -0.23688 224 28 C 1S -0.02838 0.01019 0.00299 0.00711 -0.00404 225 2S -0.55927 0.23331 0.04226 0.06988 -0.09513 226 2PX -0.11727 0.07390 0.00531 0.03574 -0.02044 227 2PY 0.10236 -0.01484 0.00124 0.03510 0.02239 228 2PZ -0.03555 0.03191 -0.00372 0.01002 -0.04671 229 3S 0.64544 -0.35238 -0.18747 -0.58502 0.05393 230 3PX -0.16915 0.31657 -0.04139 -0.06711 -0.18750 231 3PY 0.03575 0.07236 0.04298 0.27680 -0.04550 232 3PZ 0.01118 -0.09225 0.01583 -0.20292 0.03759 233 4XX 0.03186 -0.03258 0.00234 -0.00405 0.00231 234 4YY -0.07956 0.07917 0.00259 -0.01533 -0.09028 235 4ZZ -0.03310 -0.01663 -0.00024 0.02031 0.07413 236 4XY -0.00504 -0.00129 0.00526 -0.00032 -0.01532 237 4XZ -0.01298 0.01733 0.00241 -0.01112 -0.03521 238 4YZ -0.00948 0.01408 0.01521 -0.06595 -0.12234 239 29 H 1S -0.05927 -0.05855 0.01458 0.04728 0.02443 240 2S -0.15706 0.00411 0.02898 -0.16957 0.05570 241 30 H 1S -0.15603 0.08325 0.01373 0.01251 -0.06399 242 2S -0.16473 0.08388 0.01394 -0.04958 -0.02458 243 31 H 1S -0.13087 0.05336 0.00515 0.05819 0.01296 244 2S -0.20843 0.18229 -0.00588 0.07486 -0.10159 245 32 H 1S -0.10351 -0.04988 0.02232 -0.02277 0.02593 246 2S -0.19131 -0.13279 0.00251 0.11090 0.09076 247 33 H 1S 0.03577 -0.05328 0.01676 0.03535 0.05383 248 2S 0.08517 -0.02486 0.02575 0.04284 -0.01216 249 34 H 1S 0.01505 -0.02064 0.01995 0.04874 0.00580 250 2S 0.11237 -0.07742 0.00738 0.09915 0.09713 161 162 163 164 165 V V V V V Eigenvalues -- 1.38794 1.39187 1.40006 1.40436 1.42891 1 1 C 1S 0.00020 0.01216 -0.00582 0.00380 0.04331 2 2S 0.02790 0.18089 -0.03577 0.05910 0.71702 3 2PX 0.00639 0.01377 0.00159 0.00475 0.04836 4 2PY 0.00078 0.01719 -0.00288 0.00504 0.07765 5 2PZ 0.01249 -0.03964 0.01177 -0.01073 -0.05885 6 3S -0.04836 -0.39081 0.19002 -0.13746 -1.85584 7 3PX -0.02803 -0.04494 0.02742 -0.02089 -0.31999 8 3PY 0.04196 -0.05222 0.11521 -0.01664 -0.23682 9 3PZ -0.00156 0.03138 0.00014 0.00765 0.03237 10 4XX -0.00329 0.01484 -0.01230 0.00427 0.04653 11 4YY -0.03552 0.07180 -0.04159 0.02058 0.07605 12 4ZZ 0.04001 -0.06502 0.04728 -0.01832 -0.05288 13 4XY -0.00971 0.01126 -0.00805 0.00275 -0.00739 14 4XZ 0.00213 0.00231 -0.00386 0.00212 0.03852 15 4YZ -0.06424 0.13464 -0.07467 0.03965 0.17426 16 2 C 1S -0.00476 -0.00810 -0.00096 -0.00295 -0.03720 17 2S -0.07576 -0.16518 0.01632 -0.05641 -0.59941 18 2PX 0.00013 -0.04185 0.02699 -0.00953 -0.03963 19 2PY -0.01031 -0.00530 -0.00847 -0.00108 -0.00129 20 2PZ -0.01310 0.05113 -0.00084 0.01285 0.00411 21 3S 0.50515 0.67256 0.50931 0.26783 3.62819 22 3PX 0.19775 0.23944 0.37731 0.08218 1.10152 23 3PY 0.08486 0.12431 0.08186 0.03199 0.05327 24 3PZ -0.00291 -0.15053 -0.04294 -0.04414 -0.10529 25 4XX 0.02119 -0.03564 0.02598 -0.00932 -0.01659 26 4YY -0.01874 -0.01115 0.00575 -0.00725 -0.13557 27 4ZZ -0.00847 0.03762 -0.03043 0.01397 0.12846 28 4XY 0.02566 -0.05516 0.01499 -0.01607 -0.05633 29 4XZ 0.12603 -0.24382 0.09278 -0.06277 -0.06264 30 4YZ -0.01257 0.03090 0.03106 0.00269 -0.12218 31 3 C 1S 0.00611 0.00860 -0.00227 0.00279 0.03556 32 2S 0.14640 0.20985 0.01382 0.06530 0.69342 33 2PX 0.00628 0.01461 -0.03871 0.00132 -0.02545 34 2PY 0.03187 0.06509 0.05019 0.01918 0.17883 35 2PZ -0.01383 0.01529 -0.03493 0.00341 -0.01200 36 3S -0.56603 -1.05182 -0.12012 -0.34896 -3.59141 37 3PX 0.15705 -0.14826 0.75538 -0.00406 0.91472 38 3PY -0.29387 -0.39038 -0.45101 -0.14026 -1.69070 39 3PZ -0.04546 0.24175 -0.01077 0.07169 0.33488 40 4XX -0.02015 0.03630 -0.01455 0.00849 0.01232 41 4YY 0.02389 -0.04053 0.01723 -0.01404 -0.04372 42 4ZZ -0.00011 0.01652 -0.01285 0.00834 0.05721 43 4XY -0.02021 0.04531 -0.00324 0.01112 0.04403 44 4XZ -0.12123 0.20450 -0.06485 0.04790 -0.01504 45 4YZ 0.01436 -0.07834 0.06087 -0.02720 -0.13630 46 4 C 1S 0.02622 -0.00728 0.03401 0.00045 0.00066 47 2S 0.47297 -0.12088 0.58834 -0.00346 0.01117 48 2PX 0.12434 -0.01609 0.13714 0.00548 0.12452 49 2PY 0.06280 0.03297 0.02139 0.01014 -0.04325 50 2PZ 0.03300 -0.03494 0.02761 -0.01039 0.00665 51 3S -0.96683 0.61792 -1.42174 0.09854 0.54285 52 3PX -0.43531 -0.28492 -0.50048 -0.14165 -1.71364 53 3PY -0.14025 -0.41751 0.35046 -0.11373 0.23117 54 3PZ 0.21563 -0.08021 0.19023 0.00589 0.05838 55 4XX 0.06172 -0.03813 0.08260 -0.00363 0.05861 56 4YY 0.04179 -0.02697 -0.03699 0.00022 0.06358 57 4ZZ -0.04622 0.05440 0.02124 0.00541 -0.11330 58 4XY 0.02068 -0.00594 -0.00673 0.00136 0.07821 59 4XZ 0.03081 0.01149 0.00543 0.00505 -0.00505 60 4YZ 0.12115 -0.10234 0.08213 -0.01004 0.16755 61 5 C 1S 0.03389 -0.00834 0.03324 -0.00427 -0.03791 62 2S 0.55168 -0.14990 0.65213 -0.06840 -0.56629 63 2PX 0.07619 -0.05711 -0.07336 -0.02194 -0.13891 64 2PY 0.02648 -0.02331 0.14953 -0.01115 0.12580 65 2PZ -0.00918 0.00923 -0.01204 -0.00313 0.07930 66 3S -1.89830 -0.04364 -2.00408 0.07667 1.08496 67 3PX -0.68935 -0.21151 -0.36618 -0.01557 0.21350 68 3PY -0.73800 0.32854 -0.76028 0.05521 -0.97335 69 3PZ -0.05977 -0.06487 -0.27991 0.01189 -0.28775 70 4XX -0.02756 0.00491 -0.00547 -0.00363 -0.02765 71 4YY -0.03640 0.03383 -0.06340 -0.00425 -0.22415 72 4ZZ 0.12251 -0.06893 0.13378 -0.00226 0.19292 73 4XY -0.04653 -0.02811 -0.06851 -0.00865 -0.09429 74 4XZ 0.00420 0.08610 0.00146 0.01712 -0.09794 75 4YZ -0.06148 0.03348 0.01320 -0.00205 -0.17608 76 6 C 1S -0.04341 -0.00387 -0.04311 -0.00016 0.00373 77 2S -0.64859 -0.07931 -0.68388 -0.01108 -0.07511 78 2PX 0.18818 0.00052 0.09731 0.01453 0.04986 79 2PY -0.00365 0.12759 0.10904 0.03503 0.14235 80 2PZ -0.00268 -0.01910 0.00333 0.02929 0.04401 81 3S 2.91415 0.63451 4.79957 -0.05864 -0.90320 82 3PX -1.17244 0.41025 0.89624 -0.06813 -0.84806 83 3PY 0.48804 -1.45089 -1.66207 -0.30094 -1.24933 84 3PZ 0.06233 0.06338 0.09025 -0.05195 0.19268 85 4XX -0.00669 0.03061 -0.03243 0.00007 0.00038 86 4YY -0.06620 -0.07697 -0.05009 -0.00587 0.05442 87 4ZZ 0.04175 0.04435 0.04699 0.00507 -0.06644 88 4XY -0.02978 -0.06435 -0.08477 -0.01001 0.00735 89 4XZ 0.15673 0.16151 0.06102 0.02547 0.17103 90 4YZ -0.05967 -0.29366 0.06569 -0.02802 0.14740 91 7 C 1S 0.02276 -0.00080 0.01607 -0.00092 -0.00267 92 2S 0.34307 0.01636 0.49205 -0.02324 -0.06523 93 2PX 0.12104 -0.06616 -0.13768 -0.01627 -0.18329 94 2PY -0.02156 -0.04118 0.18918 -0.03303 -0.17704 95 2PZ -0.05733 -0.02689 -0.01393 -0.03783 0.02479 96 3S -2.12902 -0.16048 -1.76953 0.09360 0.48093 97 3PX -1.10000 1.52733 3.46016 0.21370 0.69521 98 3PY -0.75876 0.55103 -1.43994 0.30345 2.17483 99 3PZ 0.33843 -0.38027 -0.36516 -0.00993 -0.36530 100 4XX -0.02569 -0.06861 0.05903 -0.00090 -0.01759 101 4YY 0.03929 0.02202 -0.05765 0.02667 0.07991 102 4ZZ 0.00949 0.04838 0.02220 -0.02418 -0.03600 103 4XY 0.00466 -0.01405 0.03925 0.01411 -0.01092 104 4XZ -0.11409 -0.21826 -0.00675 0.00092 -0.00732 105 4YZ 0.07638 0.09723 0.02480 0.07844 0.07588 106 8 C 1S 0.00098 0.00933 0.01411 0.00259 0.00235 107 2S 0.06749 0.12873 0.23553 0.03390 -0.11164 108 2PX 0.27052 0.00526 -0.00889 0.01622 0.04612 109 2PY -0.04350 -0.01847 -0.13629 0.00437 0.08284 110 2PZ -0.01157 0.06825 0.01510 0.02745 -0.02746 111 3S -0.60123 -1.35389 -2.43087 -0.34382 -0.38273 112 3PX -2.89627 0.59982 -0.32722 0.11280 1.10358 113 3PY -0.31157 0.92524 3.30896 0.05038 -0.94202 114 3PZ 0.58598 -0.19519 -0.46432 -0.04581 -0.11241 115 4XX -0.00481 -0.01223 0.05241 -0.04599 -0.02187 116 4YY 0.04707 0.04317 -0.08871 0.05126 0.02750 117 4ZZ -0.04265 -0.02927 0.02779 -0.00445 -0.01125 118 4XY 0.03519 0.01529 0.01733 0.00577 -0.05347 119 4XZ -0.04431 -0.05784 0.00362 -0.13910 0.02936 120 4YZ 0.08080 0.18991 -0.00071 0.17380 -0.03887 121 9 C 1S -0.00524 -0.00343 -0.01358 -0.00065 0.00898 122 2S -0.15312 -0.09657 -0.25822 -0.02571 0.16736 123 2PX 0.22121 -0.02770 -0.10720 0.02118 -0.02559 124 2PY -0.18472 0.05469 0.15094 0.01101 -0.03427 125 2PZ -0.01192 -0.01425 -0.00147 0.06621 0.00603 126 3S 1.44692 0.40674 2.35336 0.04960 -1.46415 127 3PX -1.14221 -0.42351 -1.82671 -0.05234 0.79793 128 3PY 2.26443 -0.66905 -1.71281 -0.00866 0.44052 129 3PZ -0.14714 0.14124 0.59863 0.04810 -0.18481 130 4XX 0.03552 0.04269 0.01807 0.09556 -0.00327 131 4YY 0.02589 -0.07054 -0.02522 0.03283 0.00557 132 4ZZ -0.05824 0.02236 -0.00499 -0.12957 0.00022 133 4XY -0.02203 -0.01216 0.00965 0.07026 0.00154 134 4XZ 0.04415 0.09415 -0.01855 0.28029 -0.04327 135 4YZ -0.08661 -0.19298 0.03502 0.12205 0.04367 136 10 C 1S 0.02079 -0.00888 -0.01888 -0.00046 -0.01111 137 2S 0.21007 -0.13024 -0.35107 -0.00603 -0.05027 138 2PX 0.12366 -0.03665 -0.11633 0.01110 -0.01451 139 2PY -0.08505 -0.01339 -0.06353 0.00665 0.02040 140 2PZ -0.00712 0.00801 0.03160 0.05742 -0.00672 141 3S -1.04756 0.13044 0.27690 -0.03069 0.56017 142 3PX -1.71973 0.74684 2.25658 0.00002 -0.20787 143 3PY 1.51323 -0.14699 -0.46385 0.01359 0.33972 144 3PZ 0.05478 -0.15359 -0.33069 -0.12671 0.00165 145 4XX 0.02608 -0.04233 -0.00008 0.16093 -0.00715 146 4YY 0.06391 0.02693 -0.08048 -0.00287 -0.02796 147 4ZZ -0.08930 -0.00006 0.03852 -0.16000 0.03601 148 4XY -0.01704 0.01509 -0.00797 0.07613 -0.02178 149 4XZ -0.05482 -0.13975 0.03520 0.49544 -0.01596 150 4YZ 0.07635 0.24075 -0.01285 -0.01043 -0.05657 151 11 C 1S -0.09533 0.02543 0.06039 0.00000 0.01104 152 2S -1.29554 0.32855 0.76127 -0.00129 0.18846 153 2PX 0.07928 -0.01239 -0.01741 -0.01617 -0.03928 154 2PY -0.09820 0.00266 -0.01568 -0.01618 0.00853 155 2PZ 0.00642 0.02626 0.00067 -0.08776 0.00957 156 3S 4.44133 -1.24809 -3.19301 0.00109 -0.36325 157 3PX -1.04832 0.33961 0.87462 -0.01087 0.03301 158 3PY 0.41075 -0.07582 -0.17873 -0.00811 -0.11237 159 3PZ 0.16920 0.06607 -0.14398 -0.06196 -0.00538 160 4XX 0.00050 0.04467 -0.00283 -0.09949 0.00446 161 4YY -0.05334 -0.00515 0.05539 0.09203 0.00437 162 4ZZ -0.09712 -0.00326 0.02632 0.00726 0.01234 163 4XY -0.04192 0.01313 0.03619 0.01322 -0.01590 164 4XZ 0.02399 0.12112 -0.02195 -0.32562 0.01036 165 4YZ -0.02533 -0.10612 0.00608 0.34706 -0.01056 166 12 H 1S -0.27705 0.09039 0.23148 0.00141 0.02074 167 2S -0.29466 0.07710 0.20915 -0.00133 0.01782 168 13 H 1S -0.34133 0.15103 0.20649 -0.12063 0.04390 169 2S -0.35932 0.12014 0.20376 0.05253 0.05994 170 14 H 1S -0.37683 0.03400 0.22498 0.11996 0.04786 171 2S -0.38661 0.06943 0.20780 -0.05173 0.07524 172 15 O 1S -0.00963 -0.00289 -0.00875 -0.00058 -0.00047 173 2S -0.18153 0.02294 0.02115 0.00118 -0.01402 174 2PX -0.02256 -0.08925 -0.15366 -0.01242 -0.12460 175 2PY -0.01163 0.06388 0.17205 0.00950 -0.00444 176 2PZ 0.01082 0.01781 0.00166 0.02178 0.01836 177 3S 0.56713 0.15763 0.55750 0.02657 -0.01353 178 3PX 0.38093 0.16854 0.23181 0.07071 0.26122 179 3PY -0.12194 -0.00013 0.00349 0.01916 -0.03049 180 3PZ -0.02919 -0.00075 -0.04765 0.15054 -0.07021 181 4XX -0.05808 -0.02022 0.03289 -0.01540 -0.01170 182 4YY 0.01859 0.03023 0.05615 -0.05925 -0.00476 183 4ZZ -0.10511 0.00776 -0.07468 0.07514 0.01245 184 4XY -0.05117 -0.02765 -0.05026 -0.05503 0.01214 185 4XZ -0.04744 -0.09393 -0.00208 -0.04348 0.03963 186 4YZ -0.01673 0.02122 -0.01775 -0.23795 0.03277 187 16 H 1S -0.18459 0.12118 0.40348 0.00430 -0.12398 188 2S -0.38714 0.22491 0.73385 0.00649 -0.22446 189 17 H 1S 0.01802 -0.09219 -0.53932 0.01203 0.23535 190 2S 0.19932 -0.24486 -0.99765 0.00547 0.30244 191 18 H 1S -0.00094 0.01739 -0.31539 0.03167 0.26290 192 2S -0.04361 0.42082 -0.06642 0.14033 1.01263 193 19 C 1S 0.03024 -0.00726 -0.02821 -0.00060 -0.02599 194 2S 0.35552 -0.01266 -0.47611 0.01206 -0.33681 195 2PX 0.15640 0.01295 0.13413 0.00722 0.06254 196 2PY 0.04685 -0.04118 0.12329 -0.01151 0.03575 197 2PZ 0.01634 0.09110 -0.02989 0.02214 -0.03325 198 3S -1.70378 0.78961 1.28423 0.14125 1.47541 199 3PX -0.24200 0.12542 -0.53545 0.05346 0.09388 200 3PY 0.64306 -0.33234 -0.26906 -0.06258 -0.52683 201 3PZ -0.09167 0.10030 0.06782 0.01354 0.05897 202 4XX -0.02681 0.00783 -0.06705 -0.00250 -0.07845 203 4YY 0.02726 0.09729 -0.02375 0.02037 0.00768 204 4ZZ 0.02915 -0.10445 0.03124 -0.01497 0.04225 205 4XY 0.10648 0.06432 0.05501 0.01607 0.05420 206 4XZ 0.05539 0.11052 0.01419 0.01921 -0.00537 207 4YZ 0.10077 0.29081 -0.00359 0.04596 -0.10064 208 20 H 1S 0.12126 -0.05668 -0.05333 -0.01578 -0.14201 209 2S 0.03266 0.01227 0.16101 -0.00712 0.02529 210 21 H 1S 0.15365 0.06405 -0.11820 0.01716 -0.14394 211 2S -0.07063 0.02980 -0.36264 0.00513 -0.01656 212 22 H 1S 0.08416 -0.10118 -0.10857 -0.01672 -0.06561 213 2S 0.06107 0.03908 -0.27531 0.02959 -0.07221 214 23 H 1S 0.14054 -0.05462 0.21929 -0.02030 -0.07338 215 2S 0.20710 -0.00906 0.40884 -0.01813 0.13630 216 24 H 1S 0.04024 0.09102 0.07499 0.00415 -0.28387 217 2S 0.05295 0.05895 0.08793 -0.01421 -0.56738 218 25 H 1S 0.19688 -0.09862 0.25184 -0.00617 0.16014 219 2S 0.24928 -0.03472 0.34026 0.01914 0.33873 220 26 H 1S 0.05569 0.03043 0.01755 0.00833 -0.09797 221 2S 0.38809 -0.04655 0.27755 0.01226 -0.27756 222 27 H 1S -0.01274 0.00701 -0.11520 -0.00416 -0.11410 223 2S -0.10016 -0.03612 -0.29102 -0.01926 -0.36359 224 28 C 1S -0.00111 -0.00204 -0.00440 -0.00052 -0.00800 225 2S -0.06032 -0.04304 -0.10799 -0.01528 -0.23245 226 2PX -0.00658 -0.00393 -0.01464 -0.00066 0.01914 227 2PY -0.01273 0.02138 -0.01521 0.00563 0.11038 228 2PZ 0.02371 -0.05318 0.02067 -0.01315 -0.01557 229 3S 0.12856 -0.08503 0.30083 -0.01894 0.08231 230 3PX -0.02216 -0.14604 0.00851 -0.04433 -0.48548 231 3PY 0.12783 -0.01242 0.09044 0.00959 -0.00617 232 3PZ -0.05052 0.10003 -0.07310 0.02792 0.11154 233 4XX 0.00923 -0.00590 0.00773 -0.00101 -0.01897 234 4YY 0.02588 -0.06741 0.00579 -0.01538 0.02083 235 4ZZ -0.04036 0.06532 -0.02328 0.01385 -0.03809 236 4XY 0.01377 -0.00921 0.00490 -0.00132 0.03201 237 4XZ 0.01411 -0.03029 0.00826 -0.00748 -0.00529 238 4YZ 0.05524 -0.09169 0.00813 -0.01910 0.12258 239 29 H 1S 0.04990 0.00932 0.03814 0.00749 0.08432 240 2S -0.23635 0.10411 -0.26974 0.00977 0.06069 241 30 H 1S 0.01067 -0.03883 -0.01265 -0.00841 -0.01884 242 2S -0.05524 0.02401 -0.07198 0.00396 -0.15445 243 31 H 1S -0.01827 0.00682 -0.01319 -0.00056 -0.08700 244 2S -0.00953 -0.10660 -0.00883 -0.03173 -0.20403 245 32 H 1S 0.00065 0.04058 -0.02863 0.01327 0.15529 246 2S 0.05222 0.02740 0.06943 0.01381 0.23249 247 33 H 1S -0.01862 0.07390 -0.04238 0.02198 0.20080 248 2S 0.01579 0.02521 -0.00960 0.01090 0.20404 249 34 H 1S 0.01383 0.01504 -0.00176 0.00520 0.10829 250 2S -0.00311 0.07915 -0.00423 0.02198 0.19364 166 167 168 169 170 V V V V V Eigenvalues -- 1.44251 1.46942 1.47848 1.50437 1.51956 1 1 C 1S -0.03950 -0.02472 -0.05671 -0.00288 -0.01740 2 2S -0.58949 -0.33220 -0.87849 -0.02459 -0.21461 3 2PX -0.03003 0.02449 -0.04966 0.01133 0.03051 4 2PY -0.10148 -0.04540 -0.10018 -0.00503 -0.03893 5 2PZ -0.05588 0.04353 0.04576 0.00353 0.00185 6 3S 1.62752 1.11009 2.55365 0.13494 0.88191 7 3PX 0.24834 0.15652 0.33006 0.01366 0.07955 8 3PY 0.24779 0.24846 0.52489 0.04089 0.22631 9 3PZ -0.18421 0.01523 -0.16918 -0.00039 -0.10181 10 4XX -0.04280 -0.05685 -0.08179 -0.01045 -0.04849 11 4YY 0.21103 -0.02242 -0.01539 0.00357 0.01761 12 4ZZ -0.22732 0.04591 0.01733 0.00371 0.00956 13 4XY 0.08546 -0.00598 0.03067 -0.00095 0.01512 14 4XZ 0.07058 -0.04971 -0.01503 -0.00453 0.01577 15 4YZ 0.38330 -0.08724 -0.05922 -0.00249 -0.00221 16 2 C 1S 0.02664 0.00835 0.02827 -0.00114 -0.00449 17 2S 0.45845 0.13249 0.35363 -0.01375 -0.03031 18 2PX 0.06545 0.01900 -0.08600 0.00289 0.02070 19 2PY -0.00583 -0.02358 -0.02976 -0.00747 -0.05580 20 2PZ 0.02879 0.06891 0.00927 0.01103 -0.01019 21 3S -2.24596 -0.73311 -2.23814 0.11581 0.65564 22 3PX -0.63284 -0.27582 0.07843 0.02018 0.35294 23 3PY 0.15664 0.57924 0.21915 0.17087 0.80049 24 3PZ -0.08311 -0.38996 -0.06121 -0.09062 -0.13645 25 4XX -0.02618 -0.02887 0.00903 -0.00490 0.01644 26 4YY -0.13677 0.14637 0.03872 0.01282 -0.03367 27 4ZZ 0.18118 -0.11586 -0.03956 -0.00959 0.02223 28 4XY -0.09306 -0.03807 0.04223 -0.01209 0.02079 29 4XZ -0.23107 -0.23782 0.01240 -0.03868 0.10116 30 4YZ -0.35670 0.27164 0.02153 0.03018 -0.06594 31 3 C 1S -0.03145 -0.01131 -0.02375 0.00079 0.00196 32 2S -0.60749 -0.28737 -0.30288 -0.01522 0.06312 33 2PX -0.02246 -0.03822 -0.02126 -0.01184 -0.01258 34 2PY -0.10171 -0.04640 -0.09980 0.00308 0.00697 35 2PZ 0.04770 0.02863 0.05667 0.00713 -0.03166 36 3S 2.86484 0.99426 2.17610 -0.02948 -0.24212 37 3PX -0.02341 -0.16941 0.12084 0.02908 0.49386 38 3PY 0.89451 0.08422 1.29492 -0.14009 -0.68933 39 3PZ -0.16820 0.31304 -0.38302 0.07687 0.06052 40 4XX 0.00350 0.03353 -0.00111 0.00689 -0.01278 41 4YY -0.13780 -0.08819 -0.02585 -0.02361 0.06057 42 4ZZ 0.10405 0.03769 0.02757 0.01427 -0.04792 43 4XY -0.02658 0.02667 -0.02641 0.00508 0.02648 44 4XZ 0.09187 0.17548 -0.01593 0.01394 -0.02976 45 4YZ -0.18531 -0.11468 0.00137 -0.03877 0.11010 46 4 C 1S 0.02924 0.01444 0.06187 -0.00222 0.01551 47 2S 0.44470 0.28932 0.92341 0.00337 0.17730 48 2PX -0.00812 0.02950 -0.08781 0.01125 0.00823 49 2PY -0.00837 0.02782 0.04038 -0.00916 -0.07980 50 2PZ -0.00299 0.04883 0.05835 0.01704 0.01874 51 3S -1.74362 -0.75145 -3.16848 0.06087 -0.40036 52 3PX 0.73473 -0.06305 1.17748 -0.09783 -0.54550 53 3PY 0.26312 -0.35635 -0.16427 0.02322 0.58041 54 3PZ 0.18829 -0.04719 -0.36213 -0.00029 -0.09351 55 4XX 0.04702 0.06284 -0.00413 0.01644 0.06018 56 4YY 0.01036 0.07688 0.02845 0.02654 -0.08705 57 4ZZ -0.02249 -0.11985 0.04382 -0.04517 0.05234 58 4XY -0.04078 0.00195 -0.02675 0.01482 -0.02976 59 4XZ 0.04933 0.04950 0.04778 0.00725 -0.06853 60 4YZ 0.05409 0.09683 -0.00904 0.04826 -0.09271 61 5 C 1S 0.01960 -0.01209 0.01927 -0.00021 -0.01856 62 2S 0.40123 -0.01618 0.20855 0.03487 -0.33543 63 2PX -0.01434 -0.08252 -0.14289 0.00360 -0.22358 64 2PY -0.07835 -0.14229 0.06727 -0.00286 0.02885 65 2PZ -0.02046 0.04135 -0.04062 0.02278 0.03592 66 3S -0.40799 0.60930 -1.41094 0.10909 -0.08415 67 3PX 0.34669 0.37158 -1.20744 0.10102 0.19273 68 3PY 0.27661 0.56006 0.08741 -0.01169 -0.66615 69 3PZ -0.04222 -0.06893 0.03602 -0.06352 -0.23938 70 4XX -0.02967 -0.14093 0.11960 -0.02510 0.00624 71 4YY 0.01592 -0.08856 -0.05707 -0.03211 -0.01520 72 4ZZ 0.05707 0.22630 -0.03275 0.06126 -0.02023 73 4XY 0.01822 -0.01374 -0.07544 -0.01487 0.02382 74 4XZ 0.00910 -0.08014 0.05705 -0.03908 -0.03294 75 4YZ -0.01250 -0.22666 0.00187 -0.06259 0.08300 76 6 C 1S -0.00633 0.00653 0.01421 -0.00313 0.04574 77 2S 0.00320 0.21204 0.10064 -0.03404 0.75811 78 2PX -0.02482 0.02682 -0.00516 -0.02681 0.23314 79 2PY -0.13064 -0.04514 0.31925 -0.03455 0.14075 80 2PZ 0.01298 0.05290 -0.06889 -0.01586 -0.04941 81 3S 0.41156 -1.18551 -1.09823 0.17799 -4.16711 82 3PX 0.30123 -0.18181 -0.24527 0.16470 -2.50838 83 3PY 1.29087 0.52892 -4.01841 0.35587 -1.85854 84 3PZ -0.19663 -0.23263 0.73530 -0.01248 0.72588 85 4XX 0.00772 0.05767 -0.01306 0.00553 -0.00643 86 4YY -0.00625 0.05610 0.01894 0.00766 0.09764 87 4ZZ -0.00322 -0.10823 -0.00464 -0.01399 -0.08620 88 4XY 0.01236 0.06177 -0.03406 0.01098 0.02307 89 4XZ -0.00133 0.20370 -0.01236 0.02634 -0.00322 90 4YZ 0.05096 0.19622 -0.03645 0.05437 -0.05439 91 7 C 1S 0.00267 -0.01239 0.00709 0.00369 -0.06210 92 2S 0.05463 -0.27270 0.02941 0.06433 -1.12191 93 2PX 0.06646 0.08160 -0.08658 0.00605 0.05562 94 2PY 0.09197 -0.01509 -0.11670 0.03445 -0.26885 95 2PZ -0.02878 -0.05993 0.02587 0.06046 0.02381 96 3S -0.05304 1.75479 -1.73756 -0.35950 7.39888 97 3PX -0.52450 -0.11278 0.58665 -0.20955 1.63240 98 3PY -1.19744 0.11153 2.31064 -0.31792 3.55301 99 3PZ 0.27429 0.10943 -0.46151 -0.02519 -0.82934 100 4XX 0.02564 0.00775 -0.06364 -0.02329 -0.01391 101 4YY -0.02653 0.02154 0.06801 -0.05407 0.04338 102 4ZZ -0.00316 -0.03085 -0.01192 0.07912 -0.02747 103 4XY 0.01663 0.04048 -0.04175 -0.04533 0.01572 104 4XZ 0.01768 -0.04013 -0.00572 -0.08254 -0.02698 105 4YZ 0.01090 0.13818 -0.01958 -0.17393 -0.01230 106 8 C 1S -0.00147 0.01261 -0.01232 -0.00375 0.05499 107 2S 0.03948 0.26390 -0.40462 -0.06999 1.02144 108 2PX -0.02259 -0.00300 0.09354 -0.01822 0.07777 109 2PY -0.03835 -0.05820 0.18528 0.00471 -0.20632 110 2PZ 0.00441 0.01456 -0.03830 -0.05112 0.01476 111 3S 0.35851 -1.19638 0.82116 0.51040 -6.51053 112 3PX -0.59168 0.21026 0.65758 -0.10296 2.15089 113 3PY 0.37760 0.76088 -2.03053 -0.17252 2.86713 114 3PZ 0.04114 -0.22082 0.18968 0.18106 -0.83822 115 4XX 0.01411 0.00156 -0.03849 0.09129 0.01619 116 4YY -0.02439 0.00496 0.03404 -0.05965 0.01981 117 4ZZ 0.01334 -0.00428 -0.00627 -0.03078 -0.05605 118 4XY 0.01774 0.01360 -0.03672 0.00831 -0.02167 119 4XZ -0.00723 -0.02189 0.02383 0.28435 0.02428 120 4YZ -0.02194 0.00359 0.02515 -0.21921 -0.04249 121 9 C 1S -0.00411 -0.01024 0.01754 0.00218 -0.03190 122 2S -0.07425 -0.25967 0.38843 0.05890 -0.86476 123 2PX 0.01029 0.05547 -0.04432 -0.03471 0.14481 124 2PY 0.01158 0.04223 -0.09206 -0.02763 0.16021 125 2PZ -0.00358 -0.00771 0.02121 -0.12009 -0.06692 126 3S 0.69080 1.13042 -2.38518 -0.22882 3.24932 127 3PX -0.32516 -0.54870 1.34138 0.13246 -1.66519 128 3PY -0.17968 -0.64203 1.24695 0.10688 -2.18381 129 3PZ 0.09425 0.22967 -0.43698 -0.08633 0.64283 130 4XX -0.01131 0.00390 0.00710 -0.11638 0.02466 131 4YY 0.00711 0.01210 0.00532 -0.07738 -0.03449 132 4ZZ 0.00179 -0.02461 0.00454 0.19553 -0.02037 133 4XY -0.00206 0.01766 -0.00446 -0.11150 0.00478 134 4XZ -0.00817 0.00377 0.00548 -0.33504 -0.06595 135 4YZ 0.01428 0.05724 -0.00451 -0.28960 -0.02835 136 10 C 1S 0.00603 0.01099 -0.01305 -0.00104 0.02487 137 2S 0.03606 0.06259 -0.02184 -0.00013 0.07886 138 2PX 0.00559 0.02905 -0.01268 0.01171 0.10384 139 2PY -0.00739 -0.01764 0.04406 0.01871 -0.07158 140 2PZ -0.00262 -0.01614 -0.00442 0.09446 0.00252 141 3S -0.23989 -0.70079 0.92285 0.12088 -1.97649 142 3PX 0.05894 0.07807 -0.59788 -0.06231 0.24787 143 3PY -0.20496 -0.38108 0.67088 0.00968 -0.97169 144 3PZ 0.02432 0.06426 0.00976 -0.14850 0.08280 145 4XX -0.00450 -0.00304 0.00021 0.04348 0.03243 146 4YY 0.00323 -0.01609 -0.00150 0.10350 0.01026 147 4ZZ 0.00194 0.01346 0.01685 -0.14471 -0.07549 148 4XY 0.00123 -0.01756 -0.00152 0.09457 -0.01689 149 4XZ -0.00705 -0.03165 0.00120 0.13610 -0.00472 150 4YZ -0.02709 -0.08158 0.01713 0.37474 0.02033 151 11 C 1S -0.00578 -0.00942 0.00438 0.00100 -0.01707 152 2S -0.09307 -0.15752 0.11342 0.01915 -0.30515 153 2PX 0.01925 0.02880 -0.04256 -0.01492 0.05116 154 2PY -0.00046 0.00251 0.00209 -0.00783 0.00965 155 2PZ -0.00143 0.00364 0.00743 -0.06274 -0.01739 156 3S 0.19459 0.38690 0.01583 -0.03980 0.76048 157 3PX -0.02448 -0.07018 -0.08648 0.03912 -0.12703 158 3PY 0.05803 0.09002 -0.11366 0.01530 0.19724 159 3PZ -0.01240 -0.02877 0.03567 0.18711 0.01377 160 4XX -0.00116 0.01588 -0.01104 -0.03637 0.06324 161 4YY -0.00580 -0.00928 -0.00166 0.03144 0.00838 162 4ZZ -0.00319 -0.02167 0.02526 0.00685 -0.09863 163 4XY 0.00861 0.02713 -0.05134 -0.00023 0.13213 164 4XZ -0.00034 0.00260 0.01975 -0.10155 -0.06744 165 4YZ -0.00583 -0.02958 0.01321 0.12600 -0.03280 166 12 H 1S -0.01174 -0.02004 -0.01121 0.00060 -0.02483 167 2S -0.00689 -0.02825 0.00229 0.00373 -0.07856 168 13 H 1S -0.02504 -0.04146 0.02574 0.01456 -0.07162 169 2S -0.03767 -0.06312 0.05294 0.08644 -0.08695 170 14 H 1S -0.02309 -0.03680 0.02274 -0.00572 -0.07267 171 2S -0.02975 -0.04091 0.04999 -0.07507 -0.10550 172 15 O 1S 0.00139 0.00222 -0.00198 0.00013 0.00725 173 2S 0.01730 0.07186 -0.09522 -0.01261 0.30158 174 2PX 0.07252 0.08489 -0.13067 0.01341 0.13902 175 2PY -0.00326 0.00593 -0.04482 0.00663 0.06924 176 2PZ -0.01760 -0.02922 0.03446 0.08147 -0.02797 177 3S -0.05630 -0.14027 0.07192 0.00086 -0.52711 178 3PX -0.17282 -0.18776 0.31265 0.00942 -0.25613 179 3PY 0.00739 -0.00102 -0.00130 0.01571 -0.07855 180 3PZ 0.02625 0.00988 -0.06015 0.09098 0.06523 181 4XX 0.01665 0.05032 -0.06869 -0.08750 0.13855 182 4YY 0.00662 0.03936 -0.05363 -0.05821 0.13919 183 4ZZ -0.01327 -0.04461 0.06138 0.13825 -0.08459 184 4XY 0.00719 0.01079 0.01700 -0.06743 -0.04764 185 4XZ 0.00771 0.03026 0.01752 -0.24291 -0.06750 186 4YZ 0.00343 0.02542 0.01864 -0.17280 -0.05043 187 16 H 1S 0.05147 0.10333 -0.25104 -0.01853 0.30058 188 2S 0.08909 0.17686 -0.46493 -0.03463 0.53431 189 17 H 1S -0.10965 -0.06213 0.32932 0.00363 -0.07571 190 2S -0.13231 -0.16878 0.66910 0.02548 -0.52004 191 18 H 1S -0.13832 -0.02659 0.45886 -0.02073 0.16781 192 2S -0.60169 -0.26336 1.15392 -0.09536 0.56890 193 19 C 1S 0.01849 0.01305 -0.08299 0.00386 -0.03431 194 2S 0.16658 0.17942 -1.01312 0.02237 -0.28028 195 2PX -0.01248 -0.01573 0.07137 -0.01087 0.09582 196 2PY 0.01833 -0.02869 -0.06902 0.01438 -0.07876 197 2PZ -0.00538 -0.02046 0.01962 -0.02928 -0.00275 198 3S -1.14991 -0.54546 5.00444 -0.29166 2.32814 199 3PX -0.16363 0.13306 0.28481 -0.06249 0.59257 200 3PY 0.44115 0.13374 -1.30119 0.09170 -0.79374 201 3PZ -0.09637 -0.04242 0.07077 0.00568 0.04066 202 4XX 0.02558 0.01922 -0.12810 0.00165 -0.07382 203 4YY -0.03233 -0.02690 0.06774 -0.03369 0.11636 204 4ZZ 0.02528 0.03574 -0.01964 0.03424 -0.06097 205 4XY -0.02144 -0.03367 0.06299 -0.02286 0.05551 206 4XZ -0.01108 -0.03446 0.01262 -0.02958 0.00195 207 4YZ -0.03518 -0.14454 -0.00144 -0.08996 -0.00490 208 20 H 1S 0.08320 -0.01324 -0.32571 0.02440 -0.28233 209 2S 0.02841 -0.00245 -0.32637 0.02338 -0.10677 210 21 H 1S 0.06660 0.00916 -0.25310 -0.01602 -0.09331 211 2S -0.08309 0.09392 -0.43884 0.03127 0.04407 212 22 H 1S 0.08042 0.09943 -0.28264 0.03314 -0.08459 213 2S 0.02057 0.06597 -0.30865 -0.03009 -0.02262 214 23 H 1S 0.08823 -0.11472 -0.03298 -0.00755 0.00461 215 2S 0.11044 -0.00424 -0.04815 0.04653 0.16371 216 24 H 1S 0.06768 -0.04216 0.24174 -0.02489 -0.11244 217 2S 0.22711 0.17932 0.11645 -0.00267 -0.19038 218 25 H 1S 0.12787 0.05181 0.08317 0.01269 0.10965 219 2S 0.16765 0.08642 0.00521 0.01596 0.19813 220 26 H 1S 0.08212 0.10011 0.35082 -0.00949 -0.04651 221 2S 0.34922 0.25777 0.55870 -0.01524 -0.32003 222 27 H 1S -0.04936 -0.06169 0.08002 -0.02374 -0.15465 223 2S 0.03075 -0.09294 0.29366 -0.06169 -0.24666 224 28 C 1S 0.01038 0.01966 0.01255 0.00487 0.02210 225 2S 0.19247 0.26078 0.24318 0.05362 0.28405 226 2PX -0.02153 -0.03758 -0.08688 -0.00622 -0.03467 227 2PY -0.09109 -0.08521 -0.14610 -0.00659 0.00074 228 2PZ 0.06499 -0.08525 0.01725 -0.01175 0.04013 229 3S -0.19050 -0.84758 -0.22675 -0.23840 -1.15561 230 3PX 0.37259 0.09390 0.38305 -0.02204 -0.11362 231 3PY 0.22609 0.33007 0.13085 0.07736 0.21530 232 3PZ 0.07875 0.00637 -0.00562 0.00110 -0.11775 233 4XX 0.02471 0.03454 0.09758 0.00558 0.05019 234 4YY 0.13843 -0.17704 -0.03984 -0.02516 0.03752 235 4ZZ -0.13243 0.17320 -0.01438 0.02422 -0.06550 236 4XY -0.00246 -0.04723 -0.04239 -0.00586 -0.00056 237 4XZ -0.01495 -0.03443 0.00277 -0.00599 0.01291 238 4YZ 0.20858 -0.36554 -0.03037 -0.04972 0.13350 239 29 H 1S -0.01036 0.06276 -0.01158 0.02227 0.06844 240 2S -0.23751 -0.12033 -0.16535 -0.00851 0.11999 241 30 H 1S 0.13966 -0.00012 0.04412 0.01009 0.09528 242 2S 0.18654 0.20303 0.21347 0.02966 0.06158 243 31 H 1S -0.02056 0.16081 0.06201 0.02708 0.06070 244 2S 0.08873 0.03317 0.13772 0.00402 0.13740 245 32 H 1S -0.14514 -0.09090 -0.17838 -0.01134 -0.05697 246 2S -0.11457 -0.04039 -0.15025 0.00831 0.01915 247 33 H 1S -0.03275 -0.14079 -0.22275 -0.01559 -0.04971 248 2S -0.17377 -0.11926 -0.25990 -0.01304 -0.09164 249 34 H 1S -0.24874 -0.03526 -0.19347 -0.00439 -0.07754 250 2S -0.16499 -0.10693 -0.27428 -0.01278 -0.09421 171 172 173 174 175 V V V V V Eigenvalues -- 1.54351 1.56615 1.62265 1.68100 1.71272 1 1 C 1S 0.06021 0.00001 -0.00444 -0.00793 0.01418 2 2S 0.73592 0.03523 -0.03215 -0.02716 0.10259 3 2PX -0.22345 0.02452 -0.00818 0.00601 0.00745 4 2PY 0.15459 -0.00060 0.01176 0.01597 -0.01417 5 2PZ -0.01774 -0.00850 0.02183 0.00072 -0.00351 6 3S -3.70478 0.03757 0.10263 0.22407 -0.39824 7 3PX -0.34615 -0.00700 0.00393 0.04043 -0.03716 8 3PY -0.92611 0.02810 0.04995 0.07982 -0.14671 9 3PZ 0.27979 0.00701 -0.03772 -0.05056 0.08813 10 4XX 0.21976 -0.00532 -0.01631 -0.00792 0.02978 11 4YY -0.12841 0.01444 -0.04595 -0.02842 0.04145 12 4ZZ -0.02292 -0.00823 0.05765 0.03170 -0.06510 13 4XY -0.05368 -0.00133 -0.01466 -0.01427 0.01908 14 4XZ -0.01060 0.00652 -0.02590 0.00328 -0.01079 15 4YZ 0.04649 0.01715 -0.05583 -0.00170 -0.00560 16 2 C 1S 0.02877 -0.00574 -0.00236 -0.00272 -0.00020 17 2S 0.53029 -0.07674 0.04285 0.04630 -0.07568 18 2PX 0.10951 0.00846 0.04887 0.06386 -0.04682 19 2PY 0.28928 -0.01554 -0.01078 -0.03206 0.03116 20 2PZ -0.07399 0.01293 -0.03554 -0.00756 0.00896 21 3S -2.36269 0.52340 0.54700 0.58935 -0.54710 22 3PX -0.86434 0.09995 0.37877 0.38787 -0.58525 23 3PY -4.58379 0.34507 -0.10212 0.14260 0.05206 24 3PZ 1.26228 -0.12843 0.04498 -0.02702 -0.04858 25 4XX -0.03383 0.00125 -0.02296 -0.03334 0.06697 26 4YY 0.07569 -0.00930 0.03792 0.03620 -0.05749 27 4ZZ -0.02288 0.00492 -0.00456 0.00830 -0.02641 28 4XY -0.06426 -0.01729 -0.01933 -0.04422 0.05116 29 4XZ -0.02195 -0.01253 -0.00686 0.04156 -0.07337 30 4YZ -0.00670 -0.00147 0.02941 -0.00641 0.00025 31 3 C 1S -0.03568 0.00541 -0.00136 -0.00192 0.00196 32 2S -0.75020 0.04669 0.05533 -0.00810 -0.05251 33 2PX -0.07588 -0.02254 0.01538 -0.04351 0.08750 34 2PY -0.15508 0.01525 0.04364 0.02790 -0.04944 35 2PZ 0.03355 -0.01560 0.10454 0.00649 -0.00533 36 3S 3.03092 -0.51299 0.28058 0.13200 -0.19292 37 3PX 1.08530 0.01545 1.03626 1.01866 -1.41298 38 3PY 3.41002 -0.48329 -0.13306 -0.30505 0.03091 39 3PZ -0.94620 0.15517 -0.29089 -0.01893 0.08736 40 4XX -0.05726 0.00962 -0.05922 -0.04198 0.04068 41 4YY 0.00251 0.00856 -0.16013 0.04700 -0.09407 42 4ZZ 0.04258 -0.02382 0.22060 -0.01203 0.05878 43 4XY -0.03608 0.01144 -0.02916 0.08647 -0.17641 44 4XZ 0.03927 0.01265 -0.16645 -0.01729 -0.01766 45 4YZ -0.02602 0.02057 -0.39865 -0.01995 -0.09565 46 4 C 1S 0.04550 -0.01432 0.03526 0.04248 -0.08329 47 2S 0.46548 -0.12696 0.09263 0.40905 -0.87876 48 2PX 0.10852 0.04679 -0.09210 0.02467 -0.02450 49 2PY 0.07908 -0.00039 -0.18250 -0.06202 0.03332 50 2PZ -0.00938 0.01049 -0.00468 0.02372 -0.02494 51 3S -3.44927 0.78734 -1.25540 -1.83546 3.80806 52 3PX 1.46405 -0.29904 -0.08603 -0.44248 0.52414 53 3PY 0.33609 0.00095 1.40787 0.52995 -0.23153 54 3PZ -0.08538 0.13715 -0.12136 -0.38415 0.87345 55 4XX 0.08921 0.01755 0.16655 0.25043 -0.30812 56 4YY -0.08279 -0.01416 0.10799 -0.10288 0.15907 57 4ZZ 0.01281 -0.00606 -0.25255 -0.12446 0.11403 58 4XY -0.08777 0.01060 0.04847 -0.05250 0.05829 59 4XZ 0.03607 -0.02807 0.17632 -0.02717 0.08597 60 4YZ 0.01752 0.00407 0.32396 -0.03178 0.10787 61 5 C 1S 0.02368 0.00940 -0.01391 -0.03130 0.07215 62 2S 0.28280 0.15541 -0.32678 -0.41545 0.82516 63 2PX -0.11243 -0.02813 0.04087 -0.10097 0.08222 64 2PY -0.03893 0.03423 0.12210 -0.09886 0.17646 65 2PZ -0.02606 0.01002 0.05704 0.04330 -0.03905 66 3S -0.84916 -0.52044 1.07116 1.41601 -3.19450 67 3PX -0.06163 0.16993 0.19171 -0.09011 0.65750 68 3PY 0.33638 -0.13356 -1.22613 0.11364 -0.74584 69 3PZ 0.03185 0.11557 -0.52003 -0.55006 0.91141 70 4XX 0.00772 -0.00065 0.05139 -0.20555 0.35061 71 4YY 0.00179 -0.01165 -0.06199 0.09814 -0.17656 72 4ZZ 0.02965 0.02569 0.00010 0.08810 -0.14169 73 4XY 0.03627 -0.02402 -0.03701 0.11239 -0.12134 74 4XZ 0.00914 -0.05746 0.11296 -0.00705 -0.02026 75 4YZ 0.02159 -0.00233 0.10838 0.05852 -0.03665 76 6 C 1S 0.01830 -0.00023 0.00878 0.00648 0.01848 77 2S 0.31625 0.01151 0.23762 0.15545 0.44673 78 2PX 0.04146 0.02083 -0.06499 0.09076 0.07169 79 2PY 0.05686 0.00715 -0.13989 0.02747 -0.17510 80 2PZ -0.03820 0.03693 -0.03057 0.00288 -0.04612 81 3S -1.55451 -0.08186 -0.95641 -0.83088 -1.26405 82 3PX -0.41859 -0.23115 -0.61387 -0.19671 -1.42022 83 3PY -0.96123 -0.16394 1.13118 -0.11006 0.55653 84 3PZ 0.27996 -0.23127 0.44264 0.12628 0.12842 85 4XX 0.02130 -0.05105 -0.14316 0.03871 -0.03866 86 4YY 0.01827 0.04846 0.01707 -0.02513 0.06763 87 4ZZ -0.04157 0.00296 0.11530 -0.00098 -0.02844 88 4XY 0.01754 0.00197 -0.07983 0.00920 0.07878 89 4XZ -0.01136 -0.14565 -0.28120 -0.06362 0.01989 90 4YZ 0.01802 0.17785 -0.24117 -0.03505 -0.01708 91 7 C 1S -0.01265 -0.00139 -0.01231 -0.01456 -0.02639 92 2S -0.26997 -0.03209 -0.15262 -0.24241 -0.21509 93 2PX 0.04970 0.01581 -0.05867 0.13568 0.08917 94 2PY -0.04682 0.01075 -0.02936 0.00836 0.02588 95 2PZ -0.00321 0.09075 0.06211 -0.02078 -0.01639 96 3S 1.31069 0.23301 1.72043 1.50141 2.74922 97 3PX 0.10078 0.09638 -0.31107 0.26610 -0.31741 98 3PY 0.84954 0.15376 0.44362 0.16748 0.23601 99 3PZ -0.15298 0.10955 -0.20179 -0.07972 -0.02056 100 4XX -0.01718 -0.05469 0.06124 -0.02089 -0.09711 101 4YY 0.00914 -0.11752 -0.05692 -0.00220 0.02002 102 4ZZ -0.00130 0.17303 0.00702 0.03254 0.11123 103 4XY -0.00893 -0.09959 -0.00424 0.04003 -0.00396 104 4XZ -0.01302 -0.16278 0.10789 0.01542 0.04505 105 4YZ -0.00690 -0.40395 -0.21967 -0.05187 0.06917 106 8 C 1S 0.00751 0.00198 0.00556 0.01584 0.01910 107 2S 0.14245 0.03067 0.09257 0.22041 0.43292 108 2PX 0.02588 0.03080 0.00169 -0.01505 0.00225 109 2PY -0.01454 0.00960 -0.02888 0.04110 -0.08416 110 2PZ 0.00088 0.10331 0.00985 0.00125 0.00410 111 3S -0.92660 -0.24494 -0.26225 -2.85469 -2.70839 112 3PX 0.41012 0.02276 0.56072 -0.32530 -0.33783 113 3PY 0.20663 0.10410 0.14680 0.85869 1.12550 114 3PZ -0.10857 -0.00729 -0.06896 -0.07307 -0.09315 115 4XX -0.00061 0.05212 0.00968 -0.05068 -0.05402 116 4YY 0.00815 0.14458 0.00391 -0.01539 -0.05910 117 4ZZ -0.01223 -0.19879 -0.02213 0.05054 0.11373 118 4XY 0.00240 0.12671 0.00014 -0.00318 -0.10117 119 4XZ 0.01904 0.14231 -0.03398 0.03647 0.02443 120 4YZ 0.00815 0.53363 -0.00429 0.03218 0.01422 121 9 C 1S -0.00411 -0.00110 0.00016 -0.02385 -0.02146 122 2S -0.11313 -0.02813 -0.06620 -0.31951 -0.29011 123 2PX 0.02219 0.00871 0.00356 0.13233 0.15569 124 2PY 0.01793 0.01041 0.03814 -0.05317 -0.07283 125 2PZ -0.01236 0.03465 0.00265 -0.01559 -0.01801 126 3S 0.35372 0.13502 -0.08111 1.90324 2.08547 127 3PX -0.06663 -0.09233 0.19580 -2.47636 -1.84486 128 3PY -0.25417 -0.06262 -0.33573 -0.40060 -0.34173 129 3PZ 0.05016 -0.12608 -0.01008 0.50193 0.39324 130 4XX 0.00107 0.07573 0.01078 0.02981 0.05269 131 4YY -0.00535 0.01236 0.00833 -0.03131 -0.12537 132 4ZZ 0.00312 -0.08877 -0.03004 0.03907 0.10054 133 4XY -0.00197 0.04338 -0.00270 0.09748 0.07121 134 4XZ -0.01213 0.23228 0.04703 -0.00299 -0.01482 135 4YZ -0.00680 0.03536 -0.00283 -0.00049 0.01280 136 10 C 1S 0.00692 0.00085 0.00512 -0.02382 -0.00403 137 2S 0.05034 -0.00097 0.01535 -0.21850 -0.03157 138 2PX 0.03504 0.00005 0.02972 -0.17002 -0.06217 139 2PY -0.00726 -0.00861 -0.02507 0.09496 0.07328 140 2PZ -0.00310 -0.02604 -0.00967 0.01563 -0.00087 141 3S -0.33375 -0.04238 -0.00348 -1.55051 -1.19406 142 3PX -0.22079 0.01486 -0.36142 3.49037 1.62505 143 3PY -0.19208 0.00271 -0.22903 0.82781 0.06687 144 3PZ 0.06805 0.14417 0.11952 -0.74463 -0.31104 145 4XX 0.00684 -0.02184 -0.00810 0.04367 0.10708 146 4YY 0.00684 0.03549 0.01778 -0.06752 -0.11870 147 4ZZ -0.01532 -0.01500 -0.01722 0.04818 0.03551 148 4XY 0.00289 0.01039 0.00092 -0.09975 -0.04126 149 4XZ -0.00453 -0.07505 -0.00910 0.01599 -0.00476 150 4YZ 0.01227 0.12908 -0.00873 0.04558 0.02266 151 11 C 1S -0.00726 -0.00087 -0.00259 0.02490 0.00386 152 2S -0.10709 -0.01378 -0.02667 0.22352 -0.12757 153 2PX 0.00902 0.00606 -0.00490 0.06973 0.09607 154 2PY 0.00774 0.00377 0.02505 -0.14358 -0.09326 155 2PZ -0.00371 0.02323 0.00406 0.01031 -0.00262 156 3S 0.39998 0.04176 0.23688 -2.12144 -0.50815 157 3PX -0.10462 -0.01539 -0.06881 0.64190 0.16988 158 3PY 0.05514 0.00316 0.00675 -0.12040 0.13289 159 3PZ 0.01592 -0.03400 -0.00904 -0.09873 -0.05219 160 4XX 0.01386 0.02993 0.02656 -0.09986 -0.00276 161 4YY -0.00423 -0.01311 -0.00394 0.03133 -0.00581 162 4ZZ -0.01750 -0.01807 -0.02454 0.07786 0.00637 163 4XY 0.02391 0.01066 0.05793 -0.28659 -0.13546 164 4XZ -0.00988 0.08254 -0.00623 0.08871 0.02040 165 4YZ -0.00564 -0.05426 -0.02510 0.06082 0.02789 166 12 H 1S -0.02067 -0.00115 -0.00654 0.06880 0.03052 167 2S -0.02781 -0.00282 -0.03109 0.18234 0.09374 168 13 H 1S -0.02663 0.01869 -0.00832 0.09700 0.00718 169 2S -0.02824 -0.01828 -0.01998 0.07062 -0.03500 170 14 H 1S -0.02936 -0.02578 -0.01101 0.09529 0.00926 171 2S -0.03312 0.00990 0.00035 0.07248 -0.03143 172 15 O 1S 0.00426 0.00051 0.01033 -0.07721 -0.03176 173 2S 0.08513 0.01586 0.21541 -1.44902 -0.61390 174 2PX 0.04572 0.00999 0.02470 -0.05591 0.05299 175 2PY -0.00051 0.00895 0.02883 -0.14374 -0.10157 176 2PZ -0.00482 0.03131 -0.01574 0.03256 0.00116 177 3S -0.27097 -0.03488 -0.66815 4.89913 2.11269 178 3PX -0.09886 -0.01882 -0.12189 0.63348 0.15738 179 3PY -0.03930 -0.01995 -0.16526 1.28284 0.63663 180 3PZ 0.02400 -0.06024 0.05150 -0.30881 -0.11689 181 4XX 0.01951 -0.01467 0.06518 -0.22756 -0.13941 182 4YY 0.02530 0.02143 0.05833 -0.38855 -0.06858 183 4ZZ 0.01290 0.00363 0.01729 -0.31312 -0.16656 184 4XY 0.00580 -0.00289 0.01631 -0.19765 -0.11793 185 4XZ -0.01421 -0.07065 0.00437 0.01006 0.03141 186 4YZ -0.00746 0.05303 -0.01423 0.05121 -0.00758 187 16 H 1S 0.01548 0.00759 0.02402 0.20983 0.12677 188 2S 0.01872 0.01158 0.00545 0.65178 0.43399 189 17 H 1S 0.02208 -0.00255 0.01547 0.04550 -0.00338 190 2S 0.02248 -0.01447 -0.05075 -0.06011 -0.15365 191 18 H 1S 0.09392 0.00989 -0.02879 0.04910 -0.08848 192 2S 0.10607 0.02643 0.07328 -0.32058 -0.25213 193 19 C 1S -0.02551 -0.00694 0.00744 0.00557 -0.02527 194 2S -0.28201 -0.10055 -0.02432 0.18154 -0.46173 195 2PX 0.02903 0.00678 0.01354 -0.04349 0.10324 196 2PY -0.05621 0.00832 0.08429 -0.07866 0.11140 197 2PZ 0.00302 -0.08359 0.01849 0.02615 -0.04822 198 3S 1.57786 0.29264 -0.54765 -0.12961 0.82030 199 3PX 0.17740 0.00161 -0.11721 0.32672 -0.25971 200 3PY -0.36039 -0.05321 0.09395 0.04194 -0.14802 201 3PZ -0.03160 0.20881 -0.13311 -0.06991 0.08289 202 4XX -0.02578 -0.04426 -0.01178 0.08556 -0.18141 203 4YY 0.02335 -0.07293 0.07297 -0.00274 0.05358 204 4ZZ -0.00990 0.10884 -0.06657 -0.07076 0.11014 205 4XY 0.00249 -0.04949 0.02465 -0.05321 0.13036 206 4XZ -0.01228 -0.10664 0.02931 -0.01238 0.02619 207 4YZ -0.04617 -0.30675 0.16391 0.05830 -0.08819 208 20 H 1S -0.13836 -0.01790 0.03885 -0.03349 -0.04115 209 2S -0.13393 -0.00265 0.08968 -0.14078 0.04125 210 21 H 1S -0.06682 -0.06168 0.05228 0.03525 -0.10683 211 2S -0.19610 0.07779 -0.06230 0.14194 -0.22933 212 22 H 1S -0.06395 -0.00053 -0.01626 0.03505 -0.11190 213 2S -0.08499 -0.14099 0.06781 0.12116 -0.21737 214 23 H 1S 0.04009 0.01026 0.12971 -0.12010 0.32949 215 2S 0.02128 0.10870 0.20724 0.00049 0.22752 216 24 H 1S 0.17907 0.02091 -0.21250 -0.10375 0.12557 217 2S 0.20629 -0.04359 -0.51531 0.05934 -0.13203 218 25 H 1S 0.09937 -0.02941 0.30225 0.22972 -0.33038 219 2S 0.04170 0.01823 0.23762 0.19039 -0.18077 220 26 H 1S 0.25129 -0.07053 -0.00213 0.06565 -0.25332 221 2S 0.47068 -0.08518 -0.53593 -0.13873 -0.13731 222 27 H 1S 0.34755 -0.05499 -0.11185 -0.13036 0.07315 223 2S 0.74145 -0.14458 -0.12178 -0.24533 0.19326 224 28 C 1S -0.10897 0.00788 0.00010 0.00242 0.00185 225 2S -1.38248 0.07905 -0.02570 -0.07333 0.19157 226 2PX 0.17123 -0.00189 -0.01825 -0.03393 0.07155 227 2PY 0.04945 0.01408 0.01013 0.02606 -0.01199 228 2PZ -0.04276 0.00372 -0.03435 -0.00530 0.00385 229 3S 6.07151 -0.45217 0.05734 0.02992 -0.45044 230 3PX 0.68693 -0.10035 -0.01610 -0.02446 -0.08937 231 3PY -1.46866 0.11668 -0.09358 -0.01172 0.05428 232 3PZ 0.37990 -0.03516 0.07927 -0.00148 -0.00487 233 4XX -0.24735 -0.00132 0.01047 0.01032 -0.08730 234 4YY 0.12876 0.00511 -0.09845 0.00641 0.00049 235 4ZZ 0.01363 -0.00125 0.08459 -0.01841 0.08128 236 4XY 0.03084 0.00384 -0.04218 -0.02970 0.06599 237 4XZ 0.01010 -0.00182 -0.01916 0.00877 -0.02450 238 4YZ -0.08590 0.00796 -0.17286 0.01032 -0.07330 239 29 H 1S -0.41113 0.04120 -0.00215 0.03709 -0.04570 240 2S -0.36929 0.01858 0.11338 -0.02732 0.16544 241 30 H 1S -0.38287 0.03170 -0.01893 0.00181 0.02447 242 2S -0.42823 0.00249 0.03823 -0.01585 0.01981 243 31 H 1S -0.37326 0.02671 0.00939 0.00497 0.01612 244 2S -0.46615 0.02328 -0.04805 -0.02079 0.04132 245 32 H 1S 0.21013 -0.00388 -0.00306 -0.02030 0.02678 246 2S 0.03662 0.02342 0.04158 0.05849 -0.08203 247 33 H 1S 0.21149 0.00365 -0.04076 -0.03288 0.06196 248 2S 0.37958 -0.00817 0.00945 0.00195 0.01429 249 34 H 1S 0.21851 -0.00287 0.00321 -0.03433 0.07052 250 2S 0.36102 0.00553 -0.02948 -0.01449 0.03861 176 177 178 179 180 V V V V V Eigenvalues -- 1.73191 1.74908 1.80416 1.80984 1.82104 1 1 C 1S -0.01262 0.00360 -0.00252 0.00411 0.01148 2 2S 0.11278 0.03481 0.11351 -0.08476 0.07480 3 2PX 0.12368 0.00680 0.03993 -0.04207 -0.02802 4 2PY 0.06383 -0.00002 0.01952 -0.02255 -0.03159 5 2PZ -0.04739 -0.00662 -0.00642 0.00767 0.01221 6 3S 0.74446 -0.07470 -0.40341 0.18144 -0.75600 7 3PX 0.28053 0.02854 -0.08757 -0.00021 -0.21471 8 3PY 0.06385 -0.05616 -0.17069 0.15430 -0.12403 9 3PZ 0.04050 0.04074 0.06676 -0.04588 0.05142 10 4XX 0.06703 0.02733 -0.10199 0.04266 -0.09126 11 4YY 0.00876 0.01617 0.03669 -0.00491 0.04315 12 4ZZ -0.08403 -0.04301 0.06190 -0.03367 0.05047 13 4XY -0.05798 0.00456 -0.06871 0.07043 0.02910 14 4XZ 0.02013 -0.00276 0.03870 -0.02789 0.00602 15 4YZ 0.05130 0.00769 0.04679 -0.02578 0.00798 16 2 C 1S -0.01862 -0.00034 0.00148 0.00065 0.00251 17 2S -0.17346 -0.01720 -0.05426 0.08001 0.01148 18 2PX 0.07003 -0.00835 0.01870 -0.03434 0.04382 19 2PY -0.17709 -0.00137 -0.04695 0.08178 0.07034 20 2PZ 0.07590 0.00766 0.01820 -0.02191 -0.02267 21 3S 1.02943 -0.30630 -0.46078 0.25232 -0.26748 22 3PX 0.08798 -0.26834 -0.80504 0.73298 -0.50546 23 3PY 2.12536 0.13738 -0.06854 -0.32540 -0.83810 24 3PZ -0.71574 -0.05122 0.01410 0.06474 0.26684 25 4XX -0.03824 0.02714 -0.08218 0.08332 -0.02120 26 4YY 0.08033 -0.01083 0.14607 -0.14684 0.04642 27 4ZZ -0.06032 -0.02618 -0.07843 0.07398 -0.02348 28 4XY -0.18054 0.00647 -0.19622 0.17922 0.01271 29 4XZ -0.01530 -0.02395 0.02639 -0.03464 -0.00542 30 4YZ -0.01504 -0.00264 -0.04596 0.06090 -0.01535 31 3 C 1S 0.01361 0.00033 -0.00748 0.00626 -0.00430 32 2S -0.02733 -0.06425 -0.35831 0.25502 -0.11080 33 2PX -0.03630 0.04130 -0.08832 0.06476 -0.02155 34 2PY 0.01272 -0.04071 -0.03123 0.00979 -0.01562 35 2PZ -0.02902 -0.00100 -0.00812 0.00430 -0.00145 36 3S -0.85859 0.07295 1.08091 -0.87377 0.51234 37 3PX -0.47949 -0.60644 -0.43834 0.44239 -0.06845 38 3PY -1.67450 0.04356 0.70210 -0.35369 0.62327 39 3PZ 0.59421 0.04883 -0.03646 0.01695 -0.13449 40 4XX 0.01712 0.01467 0.10869 -0.07534 0.00701 41 4YY 0.16482 0.02063 -0.06315 0.05322 0.00438 42 4ZZ -0.20775 -0.03390 -0.06467 0.03722 -0.00673 43 4XY 0.11996 -0.05064 0.26069 -0.21574 0.07159 44 4XZ -0.02425 0.00387 -0.08576 0.09210 -0.00441 45 4YZ -0.01535 0.00548 -0.00816 0.06507 0.02403 46 4 C 1S -0.06518 -0.02739 0.00589 -0.00186 0.01481 47 2S -0.94667 -0.28326 -0.03437 0.12178 0.15512 48 2PX 0.02407 -0.00612 0.19042 -0.14377 0.08677 49 2PY 0.04941 0.02911 0.15050 -0.12107 0.05155 50 2PZ 0.03152 -0.00303 0.02966 -0.00768 -0.01082 51 3S 3.93804 1.29292 -0.14240 -0.26833 -0.78861 52 3PX -0.05878 0.23422 0.16274 -0.16792 -0.03332 53 3PY -0.25756 -0.19503 -0.43495 0.30413 -0.14251 54 3PZ 0.30838 0.27832 0.06194 -0.16619 0.01985 55 4XX 0.37950 -0.05831 -0.11154 0.06149 -0.05734 56 4YY -0.11495 0.06300 0.14342 -0.08882 0.04478 57 4ZZ -0.29567 -0.00769 -0.04891 0.03839 0.01322 58 4XY -0.04297 -0.00006 0.21002 -0.15622 0.05005 59 4XZ 0.00758 0.01804 -0.16535 0.09552 -0.04649 60 4YZ -0.08501 0.00717 0.00058 0.01167 0.01862 61 5 C 1S 0.06884 0.02132 0.01426 -0.01811 -0.00615 62 2S 1.06122 0.41780 0.19428 -0.22062 -0.07708 63 2PX 0.06609 0.08827 -0.15835 0.09484 -0.05743 64 2PY 0.09419 0.04952 -0.08788 0.04798 -0.04827 65 2PZ -0.06131 -0.03795 -0.04222 0.04292 0.00287 66 3S -3.74536 -1.18674 -0.76367 0.94573 0.20227 67 3PX -0.63844 0.12039 0.16256 -0.08420 0.15729 68 3PY 0.17105 -0.19258 0.01157 0.04722 -0.11558 69 3PZ 0.72554 0.40009 0.01900 -0.16858 -0.09963 70 4XX -0.22695 0.04484 0.15678 -0.13760 0.07144 71 4YY 0.04735 -0.00187 -0.06005 0.02754 -0.02208 72 4ZZ 0.21213 -0.04031 -0.10705 0.11685 -0.04951 73 4XY 0.00437 -0.06584 0.00582 -0.00408 -0.04021 74 4XZ -0.03318 -0.00692 -0.16251 0.08196 -0.04132 75 4YZ -0.03594 -0.01059 -0.16512 0.05488 -0.00027 76 6 C 1S 0.00404 -0.00060 -0.00689 0.00491 -0.00482 77 2S 0.37186 0.00553 -0.16669 0.11201 -0.21423 78 2PX -0.07778 0.01962 0.09124 -0.07793 0.13748 79 2PY 0.09972 -0.12924 0.05145 -0.01540 -0.10554 80 2PZ -0.05325 -0.00429 0.00206 0.01052 0.01640 81 3S -0.42834 -0.55612 0.42009 -0.33905 0.33500 82 3PX -0.08865 -0.83238 -0.42836 0.49715 -0.73213 83 3PY -2.54148 0.89903 0.03013 -0.00060 1.05781 84 3PZ 0.50192 -0.03834 0.12822 -0.08351 -0.08903 85 4XX -0.10241 -0.11029 0.10510 -0.02793 -0.10840 86 4YY -0.00946 0.18729 -0.06092 -0.00899 0.18935 87 4ZZ 0.12011 -0.08255 -0.05856 0.04476 -0.05350 88 4XY -0.06133 -0.04319 0.12974 -0.10050 0.06079 89 4XZ -0.00697 0.03453 -0.06867 0.06164 0.02676 90 4YZ -0.05710 -0.03277 -0.07893 0.04379 -0.03274 91 7 C 1S 0.00749 0.00374 -0.00458 0.00307 0.00381 92 2S -0.04113 -0.25693 0.04487 -0.03986 0.09330 93 2PX 0.08930 -0.09296 -0.01360 0.02521 -0.15955 94 2PY 0.10238 -0.05356 -0.03925 0.00256 0.07373 95 2PZ 0.00972 0.02440 0.01190 -0.01846 0.00634 96 3S -0.99062 0.36110 0.27559 -0.21629 -0.29461 97 3PX 0.14345 -1.30294 0.02634 0.02619 -0.63877 98 3PY 0.50566 0.33222 -0.08353 0.02657 -0.24334 99 3PZ -0.28306 0.17453 -0.06906 0.00965 0.19178 100 4XX 0.05501 0.08506 -0.08779 0.03536 0.00929 101 4YY -0.17218 -0.04052 0.11861 -0.10640 -0.07959 102 4ZZ 0.12597 -0.08961 -0.02194 0.06120 0.05838 103 4XY 0.10137 0.18435 -0.10806 -0.00532 0.14855 104 4XZ 0.05608 -0.07682 0.02697 -0.07497 -0.02608 105 4YZ 0.00923 -0.01228 -0.17548 -0.05798 -0.01255 106 8 C 1S 0.00403 -0.00992 -0.00449 0.00213 -0.01095 107 2S -0.07104 -0.31067 0.03636 -0.00796 -0.30240 108 2PX 0.12765 0.11959 -0.06212 0.02462 0.09279 109 2PY 0.03733 0.02980 -0.03742 0.02741 0.06735 110 2PZ -0.04986 -0.03011 0.03098 0.01990 -0.02235 111 3S -0.03069 1.05780 -0.07615 0.05014 1.21678 112 3PX -0.36579 -0.42677 0.04241 0.05773 -0.47327 113 3PY -0.32872 -1.24940 0.23222 -0.07555 -1.21468 114 3PZ 0.20437 0.27560 0.00979 -0.00807 0.26024 115 4XX -0.04726 0.14835 -0.00353 -0.01193 0.02206 116 4YY -0.07748 -0.10874 0.01611 0.02017 -0.11899 117 4ZZ 0.13008 -0.06274 -0.01938 -0.00191 0.08873 118 4XY 0.04408 0.23228 -0.09331 0.04610 0.09876 119 4XZ -0.03987 -0.09904 -0.03095 -0.01022 0.00700 120 4YZ -0.04121 -0.05307 -0.01060 0.00878 0.02917 121 9 C 1S 0.00071 0.01839 0.00134 -0.00133 0.00894 122 2S 0.12576 -0.15201 -0.09103 0.03426 0.39971 123 2PX -0.01667 -0.06674 0.01232 -0.01108 -0.08101 124 2PY -0.07024 0.18224 0.05681 -0.02558 -0.09899 125 2PZ 0.01912 -0.01569 -0.02037 -0.01994 0.02800 126 3S 0.02293 -1.43477 0.01654 0.01772 -1.43745 127 3PX 0.21276 0.03989 -0.07912 0.07120 0.33397 128 3PY 0.38377 0.65978 -0.00527 -0.07846 1.05625 129 3PZ -0.10901 -0.10314 0.02355 0.04417 -0.21916 130 4XX -0.03388 -0.22595 0.04776 -0.01875 -0.02247 131 4YY -0.01824 0.35051 -0.04833 -0.04817 0.04294 132 4ZZ 0.08364 -0.16612 -0.02171 0.08036 -0.05463 133 4XY -0.00810 -0.10233 -0.04351 -0.02180 0.05248 134 4XZ 0.02854 0.01957 0.01293 0.00610 -0.01267 135 4YZ -0.01707 -0.08288 -0.15880 -0.19738 -0.04220 136 10 C 1S 0.01026 -0.01289 -0.00380 0.00266 -0.02396 137 2S 0.07584 -0.41528 0.03727 0.00453 -0.73151 138 2PX 0.04444 0.05585 0.01929 -0.00843 -0.19764 139 2PY -0.00534 -0.17716 -0.00842 0.00712 -0.00437 140 2PZ -0.01392 0.01619 -0.00907 -0.00089 0.03689 141 3S 0.07712 0.78678 -0.15775 -0.02782 2.86469 142 3PX -0.63762 0.18189 -0.11976 0.07258 1.19873 143 3PY -0.15293 1.70395 0.27349 -0.17049 0.20966 144 3PZ 0.13552 -0.29562 0.03005 0.08183 -0.23710 145 4XX 0.06334 -0.22575 -0.06971 0.06386 0.35382 146 4YY -0.07959 0.32888 0.06957 -0.05632 -0.10217 147 4ZZ 0.02824 -0.11649 -0.00709 -0.00597 -0.22304 148 4XY 0.01196 -0.19028 0.01589 0.00218 -0.22539 149 4XZ -0.00270 0.05392 0.07677 0.07926 -0.07825 150 4YZ -0.00691 -0.05044 -0.06591 -0.04842 0.01466 151 11 C 1S -0.00894 -0.00227 -0.00791 0.00340 0.05958 152 2S -0.21345 0.25592 0.05476 -0.02042 0.13776 153 2PX 0.03666 -0.10556 -0.04925 0.03058 0.24355 154 2PY -0.00470 0.01430 0.01885 0.00397 -0.04102 155 2PZ -0.00113 0.01705 0.04615 0.04865 -0.03287 156 3S 0.73729 -0.39523 0.13367 -0.05508 -2.01332 157 3PX -0.22548 0.10236 -0.06451 -0.02159 0.49289 158 3PY 0.15138 -0.39288 -0.09547 0.00293 -0.19036 159 3PZ -0.00225 0.03946 -0.14192 -0.22629 -0.07997 160 4XX 0.03046 -0.09741 -0.01375 0.07495 0.34536 161 4YY -0.03438 0.07613 0.00959 -0.06664 -0.15502 162 4ZZ 0.00300 0.01193 -0.00165 -0.00496 -0.18478 163 4XY -0.01851 0.08342 0.04228 -0.03451 0.06138 164 4XZ -0.00156 0.00786 0.12841 0.18296 -0.10433 165 4YZ 0.00348 -0.02698 -0.14212 -0.17263 -0.03814 166 12 H 1S -0.01064 -0.05021 -0.04799 0.01981 0.26611 167 2S -0.01717 -0.02610 -0.01863 0.00686 0.07521 168 13 H 1S -0.04387 0.00736 -0.03302 -0.00196 0.22936 169 2S -0.07530 0.08712 -0.05641 -0.11814 0.03946 170 14 H 1S -0.04011 0.00883 -0.01488 0.02278 0.23194 171 2S -0.05108 0.08979 0.10398 0.09555 0.05765 172 15 O 1S 0.01111 -0.02724 -0.00217 0.00105 -0.00456 173 2S 0.21345 -0.40455 -0.07288 0.03406 0.04975 174 2PX 0.03171 -0.10837 -0.04027 0.01923 0.17720 175 2PY -0.00890 0.13776 0.01736 -0.00634 -0.04351 176 2PZ -0.01350 -0.00335 0.00944 0.01176 -0.02191 177 3S -0.73261 1.48580 0.21553 -0.10364 -0.05326 178 3PX -0.09207 0.44833 0.10609 -0.05519 -0.37047 179 3PY -0.14510 0.02875 -0.02056 0.01009 0.12214 180 3PZ 0.05012 -0.08151 -0.02841 -0.01861 0.04229 181 4XX -0.04465 0.22536 0.17436 0.11761 -0.08287 182 4YY 0.09653 -0.32597 -0.17527 -0.10281 0.34154 183 4ZZ 0.08431 -0.16344 -0.03875 0.00282 -0.24542 184 4XY 0.04187 -0.09020 -0.00875 -0.00605 -0.20398 185 4XZ 0.07701 -0.05462 0.33332 0.48683 0.03604 186 4YZ -0.04537 0.03523 -0.33762 -0.49818 -0.11160 187 16 H 1S -0.04506 0.10001 0.00043 -0.00211 -0.14342 188 2S -0.13775 -0.05847 0.00509 0.00860 -0.14237 189 17 H 1S 0.09039 0.28397 -0.04787 -0.00604 0.25797 190 2S 0.15619 0.36239 -0.08777 0.03382 0.29313 191 18 H 1S 0.25952 0.21248 -0.17473 0.08943 0.13971 192 2S 0.27913 -0.03662 -0.02801 0.01563 -0.20111 193 19 C 1S -0.05690 0.01522 -0.00296 0.00225 0.02425 194 2S -0.68987 -0.08381 0.02441 0.04590 0.01287 195 2PX 0.02890 0.01001 0.03695 -0.01983 -0.06252 196 2PY -0.01641 0.11630 -0.00370 -0.02226 0.11392 197 2PZ -0.00053 -0.02416 0.00653 -0.00528 -0.00443 198 3S 3.21000 -0.49907 -0.15235 0.02102 -1.01489 199 3PX 0.09998 -0.05587 -0.01866 -0.01311 0.19159 200 3PY -0.98349 0.17396 0.10737 -0.05182 0.35908 201 3PZ 0.14116 0.00676 -0.03101 0.02433 -0.07463 202 4XX 0.00366 -0.07696 0.04368 -0.03970 0.13110 203 4YY 0.03343 0.10742 -0.04783 0.01558 0.02657 204 4ZZ -0.06485 -0.03530 0.00468 0.02460 -0.14500 205 4XY -0.06502 -0.02429 0.05453 0.00436 -0.22671 206 4XZ -0.00381 0.00177 -0.00663 0.00367 -0.01225 207 4YZ 0.04883 -0.05515 0.08620 -0.06825 0.02474 208 20 H 1S -0.12400 0.08679 -0.03578 0.00964 0.09954 209 2S -0.20101 -0.03435 0.04518 -0.00502 -0.09247 210 21 H 1S -0.20207 0.06282 -0.00719 0.00401 0.08061 211 2S -0.14049 -0.03823 -0.00187 0.02011 0.06799 212 22 H 1S -0.23108 0.05635 -0.02720 0.02515 0.08672 213 2S -0.21150 -0.04565 -0.02372 0.01906 0.04947 214 23 H 1S 0.10108 0.06564 0.11146 -0.09818 -0.02219 215 2S 0.05944 0.03698 0.07216 -0.02852 0.03884 216 24 H 1S 0.36029 0.03185 0.02382 -0.05208 -0.05531 217 2S 0.31591 0.02718 0.08396 -0.05858 0.01362 218 25 H 1S -0.22637 -0.12326 -0.03157 0.01981 0.02704 219 2S -0.34906 -0.07402 -0.07443 0.06088 0.10680 220 26 H 1S -0.20099 -0.08966 0.13454 -0.08416 0.08466 221 2S -0.40526 0.01299 0.18273 -0.10453 0.15745 222 27 H 1S -0.25366 0.01329 0.26102 -0.17295 0.12123 223 2S -0.56524 0.07177 0.11501 -0.03661 0.15713 224 28 C 1S 0.04047 0.00295 0.01724 -0.02127 -0.00788 225 2S 0.25506 0.08070 -0.03932 -0.00000 -0.10054 226 2PX -0.03563 0.02819 -0.02976 0.03637 0.00434 227 2PY 0.15455 0.00514 0.08247 -0.09747 -0.01660 228 2PZ -0.01833 0.00035 -0.03130 0.02953 -0.00086 229 3S -2.17975 -0.26044 -0.20355 0.54208 0.63644 230 3PX -0.53938 -0.06393 0.16058 -0.05676 0.27524 231 3PY 0.39488 0.03790 0.03992 -0.10767 -0.08554 232 3PZ -0.09453 -0.00777 0.01931 0.00541 0.00770 233 4XX -0.18317 -0.07274 0.09113 -0.05176 0.13753 234 4YY 0.11607 0.03425 0.06585 -0.06720 -0.03331 235 4ZZ 0.05615 0.03471 -0.15915 0.12175 -0.10524 236 4XY -0.00097 0.03783 -0.14972 0.13958 -0.05926 237 4XZ 0.01174 -0.00460 0.02320 -0.01955 0.00313 238 4YZ -0.02743 -0.01428 -0.07510 0.07818 -0.00039 239 29 H 1S 0.18568 -0.00869 0.03809 -0.06515 -0.05078 240 2S 0.29960 0.06756 -0.06091 0.00822 -0.13683 241 30 H 1S 0.15494 0.01905 0.09039 -0.10129 -0.01743 242 2S -0.01107 0.00177 0.04348 -0.03777 0.00978 243 31 H 1S 0.14127 0.01505 0.09621 -0.10096 -0.00924 244 2S 0.05946 0.01526 0.00840 -0.01625 -0.00227 245 32 H 1S -0.09308 -0.00109 -0.02767 0.03760 0.05527 246 2S -0.03494 -0.04332 0.03814 -0.00461 0.06569 247 33 H 1S -0.02329 0.02173 -0.01614 0.01615 0.03119 248 2S -0.01199 0.00349 0.01921 -0.01825 0.01198 249 34 H 1S -0.02436 0.02360 -0.00820 0.01220 0.03394 250 2S 0.04873 0.02408 0.01192 -0.01141 0.00828 181 182 183 184 185 V V V V V Eigenvalues -- 1.83890 1.84937 1.85027 1.85797 1.87011 1 1 C 1S -0.03089 -0.04393 -0.03564 -0.00913 0.01880 2 2S -0.12096 -0.33964 -0.00943 0.08666 -0.07396 3 2PX 0.09120 0.06367 0.11068 0.03998 -0.09691 4 2PY 0.09868 0.09956 0.14331 0.05800 -0.09463 5 2PZ -0.03369 -0.01924 -0.05165 -0.01468 0.01609 6 3S 1.70343 2.40060 1.29696 -0.11731 -0.59300 7 3PX 0.36262 0.96308 -0.01110 -0.21944 0.07085 8 3PY 0.36588 -0.00309 0.51094 0.03701 -0.13912 9 3PZ -0.13625 -0.18234 -0.09223 -0.05300 0.25759 10 4XX 0.05287 0.53356 -0.34879 -0.26709 0.23216 11 4YY -0.03466 -0.31752 0.13657 0.02702 0.06410 12 4ZZ -0.02348 -0.22198 0.21097 0.24635 -0.29782 13 4XY -0.09895 -0.21046 -0.11426 -0.07453 0.13711 14 4XZ 0.01881 -0.03678 0.09343 0.06600 -0.06197 15 4YZ -0.00154 -0.06761 0.11915 -0.00428 0.18136 16 2 C 1S -0.00087 0.00292 0.01295 0.00953 -0.00381 17 2S 0.10372 -0.12641 0.49213 0.24118 -0.21014 18 2PX -0.18792 -0.04836 -0.28503 -0.03466 0.06771 19 2PY -0.11803 -0.39962 0.01033 0.00866 0.07872 20 2PZ 0.04261 0.09761 0.01880 0.00456 -0.02378 21 3S 0.12626 -0.25545 -1.23277 -0.71958 0.20516 22 3PX 1.57371 -0.27429 2.20376 0.31326 -0.93610 23 3PY 1.35267 3.36991 -0.43980 -0.74720 -0.33746 24 3PZ -0.50398 -0.73002 -0.12681 0.27590 -0.18929 25 4XX 0.12226 -0.10350 0.16266 -0.06283 -0.00689 26 4YY -0.22693 0.15510 -0.33359 -0.01970 0.14570 27 4ZZ 0.09489 -0.05828 0.16480 0.09559 -0.16026 28 4XY -0.08076 -0.19262 -0.17639 -0.15792 0.17447 29 4XZ 0.02400 0.09242 0.04475 0.07387 -0.11313 30 4YZ 0.08978 -0.08825 0.23620 0.03321 -0.00643 31 3 C 1S 0.01024 -0.00888 0.01218 0.00294 -0.01011 32 2S 0.13084 0.09068 -0.20293 -0.13051 -0.10900 33 2PX 0.11883 0.00425 0.18392 -0.01590 -0.09729 34 2PY 0.00268 0.01612 -0.06225 0.05754 -0.10056 35 2PZ 0.00141 0.01865 0.00043 -0.01288 0.01050 36 3S -1.33150 0.92508 -0.97848 0.19665 1.06039 37 3PX 0.10221 -0.63317 0.34438 0.22930 0.01494 38 3PY -1.03426 -0.80055 0.29339 0.54023 0.59066 39 3PZ 0.22353 0.14880 -0.00508 -0.24683 0.22436 40 4XX 0.04790 0.02614 0.11657 0.04540 -0.02801 41 4YY -0.10770 -0.08465 -0.08501 -0.16149 0.26240 42 4ZZ 0.02037 0.05819 -0.06155 0.13728 -0.21489 43 4XY -0.15304 0.00916 0.02354 0.19482 -0.10213 44 4XZ -0.01415 0.01694 0.01216 -0.00392 -0.03636 45 4YZ -0.04697 -0.09660 0.20995 -0.00073 0.28388 46 4 C 1S -0.01545 0.02716 0.02054 0.00089 -0.00326 47 2S 0.10451 0.44513 0.32082 -0.39363 0.14376 48 2PX -0.06251 -0.08220 -0.01847 -0.05410 -0.04631 49 2PY -0.04717 -0.02768 0.01119 0.02389 -0.05163 50 2PZ 0.05223 0.01244 0.03865 -0.06815 0.08192 51 3S 0.60786 -0.76868 -1.07945 0.30459 -0.70950 52 3PX -0.29027 0.02343 -0.10004 0.52152 0.25745 53 3PY 0.10734 -0.10123 -0.06580 0.16850 -0.01665 54 3PZ 0.03124 -0.09462 -0.37255 0.06488 -0.67729 55 4XX -0.01828 -0.07532 -0.05912 -0.03223 0.01921 56 4YY 0.05096 0.01671 0.18639 -0.05992 0.15809 57 4ZZ -0.04133 0.06734 -0.10853 0.09915 -0.18663 58 4XY -0.03629 -0.01188 0.05791 0.07953 -0.03072 59 4XZ 0.00779 0.00116 -0.10530 0.07100 -0.13431 60 4YZ -0.01210 -0.07571 0.01715 -0.08536 0.13800 61 5 C 1S 0.02349 -0.03328 -0.03444 -0.02402 -0.02658 62 2S 0.06886 -0.30888 -0.13543 0.01166 0.03132 63 2PX -0.06729 0.04359 -0.05742 0.23366 -0.00174 64 2PY -0.05243 -0.00715 -0.01869 0.12786 -0.02834 65 2PZ 0.00540 -0.01521 -0.03072 -0.02830 -0.04915 66 3S -0.86474 1.54548 1.00999 1.45760 1.33825 67 3PX -0.36730 0.06433 0.00288 0.44394 0.09637 68 3PY -0.04086 0.11241 -0.13539 0.51422 0.31411 69 3PZ -0.00258 -0.01406 -0.29723 0.12725 -0.31866 70 4XX -0.09480 0.09183 -0.02787 -0.12987 -0.08180 71 4YY 0.07876 0.06431 -0.02018 0.06275 0.00447 72 4ZZ 0.02328 -0.17122 0.02869 0.05316 0.06682 73 4XY 0.19756 -0.08912 -0.13347 -0.03082 -0.12261 74 4XZ -0.05681 0.04717 -0.10034 0.15350 -0.11019 75 4YZ -0.05427 0.08305 -0.06582 0.06563 -0.21292 76 6 C 1S -0.00337 -0.00818 -0.00391 0.00998 -0.00456 77 2S 0.05226 -0.24287 -0.15918 0.38644 0.03891 78 2PX 0.04725 -0.05664 0.00387 -0.33819 -0.19076 79 2PY 0.24211 -0.11724 -0.11003 -0.05762 -0.05031 80 2PZ -0.04515 0.03005 0.04146 0.02397 0.04016 81 3S 0.28908 0.53168 0.14447 -1.07094 -0.21513 82 3PX 0.03149 0.53526 -0.11419 2.21302 1.33326 83 3PY -1.39650 1.07032 0.70654 0.65129 0.69060 84 3PZ 0.29998 -0.44273 0.10226 -0.52463 0.07524 85 4XX 0.24163 -0.02664 -0.11369 0.07946 0.08152 86 4YY -0.32757 0.14618 0.19050 -0.21066 -0.07741 87 4ZZ 0.10760 -0.13457 -0.08983 0.08653 -0.04832 88 4XY 0.15803 -0.07576 -0.09367 -0.28502 -0.14800 89 4XZ -0.07386 0.03318 -0.02008 0.03634 -0.08257 90 4YZ 0.03890 0.00978 -0.06853 0.08845 -0.05481 91 7 C 1S 0.01495 -0.00415 -0.01138 0.01116 -0.00181 92 2S 0.18327 -0.01535 -0.13452 -0.13969 -0.10612 93 2PX 0.02639 0.01689 -0.02261 0.16430 0.13335 94 2PY -0.04836 -0.01691 0.01162 -0.04896 -0.04772 95 2PZ 0.01615 -0.02241 0.00989 -0.02240 0.01128 96 3S -1.79492 -0.10151 1.13299 -1.29321 -0.58616 97 3PX -0.29477 -0.09359 0.32862 -0.66459 -0.45538 98 3PY -0.21184 -0.34256 0.21960 -0.78137 -0.58315 99 3PZ 0.02327 0.20428 -0.18713 0.26546 -0.06699 100 4XX -0.14034 0.03850 0.11692 0.07851 0.08654 101 4YY 0.12125 0.05825 -0.06874 -0.10022 0.00452 102 4ZZ 0.01901 -0.13173 -0.05861 -0.03760 -0.14233 103 4XY -0.14932 0.02784 0.07024 -0.13655 -0.12061 104 4XZ 0.09630 -0.11781 0.02337 -0.04241 0.10459 105 4YZ -0.03766 0.06831 -0.14138 0.12084 -0.23339 106 8 C 1S -0.01953 -0.00636 0.00809 -0.01166 -0.01582 107 2S -0.16406 -0.13385 0.03282 -0.04415 -0.15962 108 2PX -0.03666 -0.03213 0.01446 -0.04619 -0.07846 109 2PY -0.02746 0.06922 0.04053 0.02717 0.07031 110 2PZ 0.00574 0.00246 -0.00940 0.00431 -0.00246 111 3S 1.13584 0.62726 -0.60217 1.22009 1.11628 112 3PX -0.72226 0.27046 0.59528 -0.23073 0.16387 113 3PY -0.83691 -0.14309 0.48274 -0.53556 -0.30979 114 3PZ 0.28986 -0.09020 -0.13667 0.10039 0.12672 115 4XX -0.03674 0.02931 0.01768 -0.05871 -0.03300 116 4YY -0.01282 0.09408 0.03106 0.15805 0.17510 117 4ZZ 0.07878 -0.14622 -0.07996 -0.05045 -0.14698 118 4XY -0.05314 -0.01449 0.00913 0.10545 -0.04900 119 4XZ 0.02464 -0.00903 -0.03534 -0.01995 -0.06463 120 4YZ 0.01609 -0.00554 -0.04767 -0.05480 -0.11838 121 9 C 1S 0.01669 -0.00560 -0.01137 0.00286 -0.00377 122 2S 0.17768 0.02451 -0.07481 0.08016 0.00640 123 2PX -0.08048 0.02644 0.04289 -0.04221 0.01629 124 2PY 0.10265 -0.04684 -0.06648 0.06148 0.03608 125 2PZ 0.00287 -0.00540 0.00850 -0.00574 0.00298 126 3S -1.46917 -0.04603 0.75628 -0.57934 -0.37055 127 3PX 0.31179 0.19611 -0.10622 0.24342 0.25139 128 3PY 1.25526 -0.24870 -0.77465 0.12073 -0.09224 129 3PZ -0.26273 0.02976 0.10905 -0.04073 -0.07951 130 4XX 0.00134 0.06965 0.05119 -0.06082 0.11323 131 4YY 0.10072 -0.04597 -0.06573 0.12619 0.02558 132 4ZZ -0.15164 -0.04313 0.03144 -0.05440 -0.16637 133 4XY 0.02569 0.02027 0.00806 0.11358 0.10114 134 4XZ -0.02437 -0.06033 0.03522 -0.04592 -0.00960 135 4YZ -0.04144 -0.01805 0.03234 -0.06198 -0.04145 136 10 C 1S -0.02112 -0.00585 0.00749 -0.00471 -0.01138 137 2S -0.47257 -0.03424 0.20113 -0.28221 -0.18021 138 2PX -0.03042 -0.08882 -0.02790 -0.05952 -0.10551 139 2PY -0.05363 0.04724 0.04438 0.00413 0.04233 140 2PZ 0.01105 0.01470 -0.00552 0.01110 0.00154 141 3S 1.89396 0.30673 -0.79211 0.69962 0.63279 142 3PX 0.02808 0.45758 0.23539 0.57109 0.63670 143 3PY 1.24415 -0.55689 -0.87010 0.16967 -0.19608 144 3PZ -0.19236 0.00584 0.09679 -0.14231 -0.08603 145 4XX 0.02322 0.09281 0.03358 0.10030 0.09015 146 4YY 0.14357 -0.06122 -0.09925 -0.00606 -0.00402 147 4ZZ -0.14954 -0.04400 0.05123 -0.08944 -0.09930 148 4XY -0.19189 0.04106 0.10668 -0.15569 -0.04752 149 4XZ -0.01396 -0.02319 -0.01898 -0.01749 -0.05042 150 4YZ -0.01406 -0.00791 0.01214 0.00875 -0.00627 151 11 C 1S 0.01548 0.01834 0.00178 0.02267 0.02459 152 2S 0.10968 0.12376 0.00410 0.06904 0.17204 153 2PX 0.04049 0.03875 0.00173 0.07826 0.05033 154 2PY 0.00653 -0.00311 -0.00537 -0.00150 0.00335 155 2PZ -0.01026 -0.00271 -0.00076 -0.01510 -0.01283 156 3S -0.54511 -0.75827 -0.11394 -0.76485 -1.00973 157 3PX 0.07832 0.22209 0.07436 0.18440 0.27188 158 3PY -0.33009 0.00813 0.16277 -0.15180 -0.13057 159 3PZ 0.04544 -0.06048 -0.03222 -0.00085 -0.00702 160 4XX 0.12715 0.05717 -0.03525 0.12640 0.09000 161 4YY -0.01127 -0.03895 -0.00749 -0.06808 -0.03684 162 4ZZ -0.12503 -0.01677 0.04797 -0.05313 -0.05452 163 4XY 0.19607 -0.06601 -0.11950 0.00203 -0.01922 164 4XZ -0.09735 0.01840 0.02898 -0.04514 -0.05761 165 4YZ -0.04691 -0.00748 0.04252 0.00668 0.03073 166 12 H 1S 0.04662 0.07268 0.01444 0.09370 0.08708 167 2S -0.03291 0.03950 0.03372 0.00001 0.01831 168 13 H 1S 0.07572 0.07299 0.00323 0.09454 0.11396 169 2S 0.07111 0.01333 -0.02068 0.02518 0.05161 170 14 H 1S 0.07337 0.07752 0.00066 0.09405 0.10640 171 2S 0.06399 0.02727 -0.02438 0.01730 0.03916 172 15 O 1S -0.00867 0.00341 0.00548 -0.00977 -0.00405 173 2S -0.07629 0.04349 0.05324 -0.08918 -0.06168 174 2PX 0.03884 0.01249 -0.00846 0.09215 0.03963 175 2PY 0.05273 -0.04996 -0.05116 0.01642 -0.03376 176 2PZ -0.01755 0.01212 0.00638 -0.02091 -0.01362 177 3S 0.35490 -0.23018 -0.25916 0.40054 0.16072 178 3PX 0.07673 -0.16636 -0.11737 -0.11060 -0.14294 179 3PY -0.06960 0.06571 0.07528 0.12341 0.12496 180 3PZ 0.00035 0.00978 0.01287 0.00597 0.02420 181 4XX 0.07322 -0.01378 -0.06162 -0.01382 -0.01214 182 4YY 0.04164 0.04414 0.02674 -0.02816 -0.00057 183 4ZZ -0.16348 -0.01689 0.06288 -0.01763 -0.03689 184 4XY -0.12251 -0.00614 0.05626 -0.02120 -0.00364 185 4XZ -0.05712 0.04273 -0.01150 0.00574 -0.05218 186 4YZ 0.01479 -0.06840 0.03344 0.00371 0.07051 187 16 H 1S -0.17403 -0.04904 0.06593 -0.12884 -0.15165 188 2S -0.22427 0.02476 0.13100 0.01921 0.02400 189 17 H 1S 0.07376 -0.08037 -0.06294 -0.12238 -0.16793 190 2S 0.21840 -0.01697 -0.14791 0.14615 0.03250 191 18 H 1S -0.05615 -0.06480 0.02690 0.09513 -0.07522 192 2S 0.05519 -0.11567 -0.02631 -0.35881 -0.24984 193 19 C 1S -0.03856 0.03107 0.02520 -0.00527 0.00805 194 2S -0.03885 0.21483 0.06793 0.10903 0.14902 195 2PX 0.01856 -0.02426 -0.00468 0.04148 0.03571 196 2PY -0.18910 0.07907 0.11466 -0.05204 0.00155 197 2PZ 0.03002 -0.01409 0.00553 -0.01299 0.02347 198 3S 1.28053 -1.35765 -0.85872 -0.09385 -0.54140 199 3PX 0.13478 -0.18474 -0.03720 -0.62055 -0.43035 200 3PY -0.18660 0.31012 0.10287 -0.10743 0.03172 201 3PZ -0.05773 0.05374 -0.11422 0.18554 -0.13380 202 4XX 0.16008 -0.15564 -0.03318 -0.31047 -0.17865 203 4YY -0.25168 0.10516 0.17784 0.02145 0.10979 204 4ZZ 0.08851 0.04424 -0.14559 0.28534 0.06067 205 4XY 0.06337 0.02991 -0.02926 0.35407 0.26458 206 4XZ 0.00802 -0.00352 0.02196 0.01440 0.06447 207 4YZ 0.09913 -0.12453 0.10913 -0.13008 0.16794 208 20 H 1S -0.13675 0.11782 0.06176 0.00382 0.01568 209 2S -0.16133 0.15800 0.11505 0.23914 0.22700 210 21 H 1S -0.16405 0.13370 0.11312 -0.03167 0.03910 211 2S -0.05786 0.03783 0.02326 -0.04202 -0.09855 212 22 H 1S -0.15827 0.12272 0.11484 -0.04482 0.03689 213 2S 0.00965 0.03507 0.06465 -0.07575 0.02702 214 23 H 1S 0.12298 -0.13471 -0.11154 -0.06093 -0.08028 215 2S -0.00603 -0.15038 0.01391 -0.12380 0.00677 216 24 H 1S 0.08236 -0.14322 -0.18101 -0.10604 -0.15574 217 2S 0.03299 -0.07887 0.01546 -0.01580 0.06729 218 25 H 1S 0.02293 0.08305 0.02909 0.03180 -0.15633 219 2S 0.02444 0.07277 0.04085 -0.18391 -0.18183 220 26 H 1S -0.17218 0.05262 0.02347 0.03782 0.02921 221 2S -0.04894 0.16365 0.05026 -0.15295 -0.01306 222 27 H 1S -0.11990 -0.10305 0.21831 0.26561 -0.11130 223 2S -0.25072 -0.19510 0.05102 0.09207 0.15883 224 28 C 1S 0.00642 0.05881 -0.02507 -0.01211 0.00375 225 2S 0.21604 0.29902 0.00386 -0.21490 0.05224 226 2PX 0.03533 -0.07425 0.07422 -0.02739 0.00971 227 2PY -0.02599 0.19356 -0.12719 -0.00116 0.00123 228 2PZ 0.00419 -0.04979 0.01567 0.01645 -0.02765 229 3S -0.78041 -2.92631 1.20347 1.04163 -0.25595 230 3PX -0.57850 -0.72755 -0.22599 0.25972 0.09704 231 3PY 0.04392 0.57148 -0.56382 -0.37310 0.18395 232 3PZ 0.05885 -0.12366 0.20243 0.01313 0.09153 233 4XX -0.36780 -0.38698 -0.33510 0.12045 0.04323 234 4YY 0.10432 0.28009 0.12350 -0.00511 -0.06216 235 4ZZ 0.26369 0.12179 0.21065 -0.11103 0.02040 236 4XY 0.19336 -0.01430 0.22555 -0.10411 0.01818 237 4XZ -0.01418 0.05305 0.00621 0.00688 0.00593 238 4YZ -0.02130 -0.01409 0.03819 0.01699 -0.05693 239 29 H 1S 0.05771 0.26517 -0.10103 -0.04569 -0.02453 240 2S 0.20588 0.28314 0.13429 -0.04372 0.02362 241 30 H 1S 0.00793 0.18350 -0.11189 -0.03497 0.01245 242 2S -0.01791 0.03709 -0.03738 -0.03715 0.06131 243 31 H 1S -0.00869 0.19318 -0.09385 -0.03469 0.01790 244 2S -0.03276 0.02551 -0.07571 0.01484 -0.02817 245 32 H 1S -0.14489 -0.24344 -0.12572 -0.01086 0.07350 246 2S -0.09542 -0.36865 0.06265 0.09066 -0.04882 247 33 H 1S -0.09690 -0.11410 -0.16497 -0.06184 0.05879 248 2S -0.02780 0.03026 -0.05873 0.00160 -0.03436 249 34 H 1S -0.09982 -0.13491 -0.14389 -0.08466 0.13707 250 2S -0.03224 -0.02839 -0.03631 -0.02887 0.08100 186 187 188 189 190 V V V V V Eigenvalues -- 1.89535 1.90779 1.91521 1.93198 1.94060 1 1 C 1S 0.01817 0.00590 -0.01585 -0.00110 0.00265 2 2S 0.19214 -0.04438 -0.10952 0.00513 0.02196 3 2PX 0.00754 -0.03129 0.01620 0.00340 -0.00317 4 2PY -0.02909 -0.02738 0.04599 0.00721 -0.00606 5 2PZ 0.02310 0.04792 -0.02143 0.00030 0.00148 6 3S -0.82968 -0.15294 0.70082 0.04982 -0.13980 7 3PX -0.40349 0.00583 0.19118 -0.03442 -0.04258 8 3PY 0.04726 -0.16292 0.08276 0.06291 -0.01246 9 3PZ -0.15631 -0.43076 0.05612 -0.01751 0.01020 10 4XX -0.26860 0.07719 0.02082 -0.05887 -0.02163 11 4YY 0.07315 -0.23248 -0.01159 0.02107 0.01803 12 4ZZ 0.18357 0.15292 0.00139 0.03555 0.00186 13 4XY 0.09327 -0.00172 -0.04937 0.01550 0.01214 14 4XZ 0.00231 -0.06729 0.01368 0.00310 0.00176 15 4YZ -0.20964 -0.48182 0.13603 0.00750 -0.00337 16 2 C 1S -0.01228 -0.00079 0.01357 -0.00005 -0.00173 17 2S -0.06176 -0.08015 0.26396 0.04772 -0.03676 18 2PX 0.03338 0.00399 0.01059 0.00329 -0.00191 19 2PY 0.14123 0.05689 -0.07550 0.00942 0.01290 20 2PZ -0.03518 0.02621 0.02805 -0.00533 -0.00330 21 3S 0.83386 -0.10024 -0.95729 0.01983 0.06640 22 3PX 0.59350 -0.24492 -0.02829 0.24574 -0.01459 23 3PY -0.87905 0.07026 0.39491 -0.11564 -0.13791 24 3PZ 0.38494 0.72409 -0.18138 0.00229 0.02389 25 4XX 0.10140 0.02950 -0.10809 -0.00148 0.01319 26 4YY -0.11298 0.00823 0.06052 -0.00693 0.00353 27 4ZZ 0.00490 -0.05463 0.08263 0.01453 -0.02383 28 4XY 0.06566 0.05964 -0.03954 0.00413 -0.00215 29 4XZ -0.03450 -0.08551 0.02694 -0.00097 -0.00233 30 4YZ -0.06726 -0.04602 0.12045 0.01040 -0.01865 31 3 C 1S -0.00040 -0.00273 0.00605 -0.00093 -0.00166 32 2S -0.07686 -0.14939 0.04967 -0.01611 -0.03940 33 2PX 0.05726 -0.03675 -0.03286 0.01579 0.00601 34 2PY -0.02119 -0.07444 0.02200 -0.00754 -0.00796 35 2PZ 0.00808 0.05306 -0.01359 0.00345 -0.00127 36 3S -0.82649 0.49068 0.24006 -0.06486 0.05917 37 3PX 0.47800 -0.16238 -0.24104 0.21230 0.02310 38 3PY -0.29524 0.23404 0.07585 0.00545 0.09616 39 3PZ -0.12191 -0.37371 0.12634 0.00820 -0.02208 40 4XX -0.01225 0.09006 -0.07387 -0.02614 0.01505 41 4YY 0.05710 -0.06654 0.05702 0.06939 0.00213 42 4ZZ -0.07747 -0.01832 0.06466 -0.04139 -0.02021 43 4XY -0.02232 0.04882 0.09319 0.01790 -0.00072 44 4XZ 0.03225 0.46393 0.05853 -0.00803 -0.01665 45 4YZ -0.36489 -0.19487 0.26318 -0.03203 -0.02068 46 4 C 1S -0.02991 0.00306 0.01290 0.00442 -0.00338 47 2S -0.24679 0.02014 -0.20327 0.08429 -0.05163 48 2PX 0.12343 -0.06134 -0.16552 0.02786 -0.00028 49 2PY 0.07262 -0.03887 -0.04688 0.01378 0.01276 50 2PZ 0.05382 -0.02918 -0.08309 0.02227 0.00240 51 3S 1.14683 -0.38770 -0.01423 -0.25913 0.10853 52 3PX 0.04325 0.11959 0.23417 0.04484 0.10636 53 3PY 0.07523 -0.07866 -0.27201 -0.01036 0.02829 54 3PZ 0.20946 0.04264 -0.14541 -0.17053 0.00097 55 4XX 0.26184 -0.03816 0.07392 0.11114 -0.00260 56 4YY -0.08087 -0.01008 -0.15260 -0.01581 0.02326 57 4ZZ -0.19102 0.04495 0.10025 -0.09514 -0.02235 58 4XY -0.15688 0.09024 0.05121 -0.07407 -0.00883 59 4XZ -0.06174 -0.04111 0.17745 -0.04882 -0.00140 60 4YZ -0.15436 -0.09920 0.00133 -0.01080 -0.02759 61 5 C 1S 0.02962 -0.01608 -0.01104 -0.01152 -0.00078 62 2S 0.44693 -0.05458 -0.27467 -0.02529 0.05590 63 2PX -0.01061 0.02150 0.15849 0.00149 0.01776 64 2PY -0.00857 -0.00874 0.02694 -0.00154 0.01293 65 2PZ -0.07829 0.01491 0.06427 -0.03643 -0.02263 66 3S -1.35331 0.59810 1.50069 0.51800 0.01859 67 3PX -0.21085 0.17569 0.12118 -0.04420 0.00573 68 3PY 0.29852 0.15357 0.44163 0.11523 0.09758 69 3PZ 0.58275 -0.29924 -0.27783 0.11658 0.08607 70 4XX -0.01701 -0.00947 -0.02896 0.04433 -0.02880 71 4YY 0.17426 -0.17759 -0.22636 0.04576 0.02586 72 4ZZ -0.17164 0.16762 0.26238 -0.08936 -0.00064 73 4XY 0.10557 -0.06981 0.00517 -0.10136 0.00432 74 4XZ -0.12094 -0.05103 0.19807 -0.02414 -0.01017 75 4YZ 0.05954 -0.23412 -0.10819 0.04907 0.02611 76 6 C 1S -0.01626 0.00659 0.01220 -0.00354 0.00170 77 2S -0.25593 0.10486 0.42517 -0.11505 0.06158 78 2PX 0.02098 -0.03789 0.01548 -0.03781 -0.01908 79 2PY 0.02130 -0.05389 -0.22142 -0.09686 -0.00988 80 2PZ -0.02059 0.03651 0.01730 0.01971 0.00992 81 3S 1.08322 -0.39286 -1.21615 0.38260 -0.09566 82 3PX 0.46452 0.35390 0.67318 0.34415 0.27668 83 3PY -0.63509 0.64591 1.39541 0.36518 -0.03280 84 3PZ -0.22364 0.21627 -0.19877 -0.23396 0.02544 85 4XX 0.04957 -0.03863 -0.15260 -0.06828 -0.01825 86 4YY 0.10002 -0.00786 0.03831 0.11007 0.02387 87 4ZZ -0.16378 0.05207 0.17867 -0.04255 -0.00445 88 4XY 0.04156 -0.01822 0.05668 -0.04142 -0.00055 89 4XZ -0.03483 0.02651 0.03571 0.00675 -0.00364 90 4YZ -0.03945 0.00459 -0.04877 -0.02862 0.09302 91 7 C 1S -0.00063 0.00184 0.00574 -0.00072 0.00202 92 2S 0.02985 0.01175 0.18431 0.16280 0.02082 93 2PX 0.13542 -0.01516 0.08501 0.07303 0.02831 94 2PY -0.04020 0.02414 0.02195 0.06377 0.00367 95 2PZ -0.00925 0.01942 -0.02257 -0.02734 0.00939 96 3S -1.30147 0.08345 -0.60612 -0.54969 -0.29253 97 3PX -0.08553 -0.21270 -1.13200 -0.04654 -0.04901 98 3PY -0.30757 -0.28994 -0.81954 -0.27237 -0.09073 99 3PZ 0.12104 -0.14692 0.28201 0.10814 0.01314 100 4XX -0.04264 0.03884 -0.17972 -0.01017 0.03760 101 4YY 0.24591 -0.09896 0.20285 -0.00680 0.04021 102 4ZZ -0.23091 0.07313 0.04202 0.01922 -0.07482 103 4XY 0.09801 -0.03315 0.19321 -0.00018 0.06422 104 4XZ -0.12464 0.15650 0.03474 -0.03930 0.13928 105 4YZ 0.01362 -0.22746 -0.12394 0.06520 0.11678 106 8 C 1S -0.02078 0.00236 -0.01268 -0.00017 -0.00114 107 2S -0.42312 0.06155 -0.36501 -0.15318 -0.04915 108 2PX -0.03909 -0.01162 -0.11854 -0.08641 -0.02110 109 2PY 0.13338 -0.02250 0.07345 0.10391 0.00816 110 2PZ -0.01984 0.00265 0.01531 0.00228 -0.05099 111 3S 1.36697 -0.01114 1.58836 -0.26129 0.15029 112 3PX 0.02528 -0.06559 -0.15107 -0.19625 -0.02493 113 3PY -0.54810 0.01310 -1.07080 -0.06650 -0.10569 114 3PZ 0.05864 0.12717 0.20614 0.01431 0.11025 115 4XX 0.08911 -0.01561 0.16559 -0.07234 0.06702 116 4YY 0.09510 -0.03649 -0.19508 0.08911 -0.02643 117 4ZZ -0.25836 0.06867 -0.03679 -0.01275 -0.04424 118 4XY -0.17587 0.00700 -0.28719 -0.13281 -0.01025 119 4XZ -0.06261 -0.01350 -0.01117 0.02696 0.17492 120 4YZ -0.01549 -0.04975 0.05598 0.02594 -0.05774 121 9 C 1S -0.00807 0.00266 0.00595 0.00933 0.00114 122 2S -0.03773 0.00609 -0.00478 0.01042 0.00584 123 2PX 0.08529 -0.00408 0.12349 0.03331 0.01080 124 2PY -0.06016 0.01387 -0.08500 0.07807 -0.00533 125 2PZ -0.00701 0.00894 -0.00863 -0.01953 0.00038 126 3S -0.20065 -0.08344 -1.13472 -1.24999 -0.17769 127 3PX 0.42804 -0.12553 0.14015 -1.17532 -0.09765 128 3PY 0.20245 0.03147 0.92128 0.72378 0.08310 129 3PZ -0.07861 -0.04351 -0.16737 0.13537 -0.34388 130 4XX 0.21823 -0.01334 0.21818 0.14986 0.04515 131 4YY -0.09999 0.01791 -0.18364 -0.14978 0.11158 132 4ZZ -0.20806 0.00672 -0.15611 0.00491 -0.16627 133 4XY -0.04881 0.02144 -0.18326 0.03486 0.08609 134 4XZ -0.12664 0.08681 -0.03197 -0.06366 0.04612 135 4YZ -0.04374 0.00569 0.03293 -0.01251 0.49642 136 10 C 1S -0.02036 0.00204 -0.02767 -0.00606 -0.00259 137 2S -0.04528 -0.02350 -0.09137 -0.08997 -0.01226 138 2PX -0.12925 0.01359 -0.04901 0.04723 0.01802 139 2PY 0.05148 -0.00828 0.00487 0.01942 0.01620 140 2PZ 0.01349 -0.01152 0.00467 -0.01469 0.10473 141 3S 1.02334 -0.09778 1.31482 -0.74555 0.08705 142 3PX 0.12593 0.10356 -0.14189 1.48219 0.17506 143 3PY -0.65019 0.24229 0.40929 2.69578 0.27745 144 3PZ 0.04052 -0.03842 -0.04656 -0.71575 0.61606 145 4XX 0.07116 -0.01593 -0.04033 -0.16423 0.05330 146 4YY 0.02649 0.00439 0.13258 0.00333 0.03954 147 4ZZ -0.13543 0.02155 -0.09403 0.24511 -0.08825 148 4XY 0.14161 -0.04269 0.13671 -0.18694 0.05514 149 4XZ -0.07492 0.00641 -0.03966 0.10848 0.20224 150 4YZ -0.06953 0.01846 -0.06897 0.06994 0.10130 151 11 C 1S 0.01965 -0.00211 0.00092 -0.01579 -0.00076 152 2S 0.26175 -0.04017 0.17596 -0.13563 0.00681 153 2PX -0.00559 0.00919 -0.03562 0.03489 0.00585 154 2PY -0.00159 -0.00008 -0.01035 0.01973 0.00559 155 2PZ -0.00216 -0.00071 0.00708 -0.01218 0.03765 156 3S -0.94380 0.07339 -0.40539 0.00943 -0.03023 157 3PX 0.29088 -0.03091 0.11526 -0.13285 -0.09205 158 3PY 0.02787 -0.04656 -0.09385 -0.80709 -0.12940 159 3PZ -0.03172 0.01241 0.00361 0.17657 -0.51792 160 4XX -0.00020 0.00864 -0.06211 0.10073 0.13451 161 4YY 0.00931 0.00186 0.09178 0.10704 -0.11053 162 4ZZ -0.02533 -0.00734 -0.05395 -0.19280 -0.02511 163 4XY -0.10200 0.04677 0.09714 0.69241 0.02574 164 4XZ -0.01246 -0.02062 -0.02453 -0.20039 0.42446 165 4YZ 0.03126 0.00315 -0.03344 -0.16123 -0.48873 166 12 H 1S 0.05856 -0.00715 -0.03996 -0.14539 -0.01160 167 2S 0.07169 -0.01617 0.04119 -0.21838 -0.00782 168 13 H 1S 0.09985 -0.00935 0.01964 -0.06542 -0.09332 169 2S 0.05636 -0.00257 0.07140 0.15262 -0.15010 170 14 H 1S 0.09743 -0.01531 0.01647 -0.07237 0.08853 171 2S 0.03952 0.00387 0.06531 0.13224 0.17591 172 15 O 1S 0.01429 -0.00543 0.00686 -0.06121 -0.00249 173 2S 0.11911 -0.07040 -0.07987 -0.79959 -0.04507 174 2PX -0.07280 0.02332 -0.08140 0.06088 0.02099 175 2PY -0.10030 0.01890 -0.08564 0.09689 0.01944 176 2PZ 0.02310 -0.01426 0.02268 -0.03203 0.14423 177 3S -0.78654 0.32748 -0.13003 3.64176 0.16771 178 3PX -0.19568 0.04106 -0.01408 0.72646 -0.01860 179 3PY -0.05870 0.04724 -0.05201 0.56514 -0.02539 180 3PZ 0.05572 -0.00514 0.01935 -0.20018 -0.32295 181 4XX 0.08908 -0.03642 0.08171 -0.43822 -0.11818 182 4YY 0.06158 -0.00695 0.10946 -0.14933 -0.06111 183 4ZZ -0.10187 0.00872 -0.22928 0.12115 0.15320 184 4XY -0.02292 0.00530 -0.12106 0.03514 -0.10071 185 4XZ -0.02053 -0.01433 -0.05113 0.13837 -0.30039 186 4YZ -0.02258 0.04759 -0.02255 0.05267 -0.23295 187 16 H 1S -0.14981 0.02607 0.01979 0.07440 0.00553 188 2S -0.14287 0.03543 -0.19414 0.31433 -0.00583 189 17 H 1S -0.07063 0.02102 0.26355 -0.04226 0.02015 190 2S 0.04380 0.00802 0.13477 -0.02180 0.01658 191 18 H 1S -0.18812 0.00622 -0.25303 -0.02558 -0.00571 192 2S 0.07326 -0.15753 -0.22696 0.07203 -0.00087 193 19 C 1S -0.00224 0.00671 0.00774 0.01243 -0.00234 194 2S -0.02745 0.04453 0.01648 0.02415 -0.02483 195 2PX -0.00303 -0.00946 -0.06903 -0.02389 -0.00310 196 2PY 0.01904 0.01159 0.03815 0.06246 -0.00150 197 2PZ -0.01923 0.01946 0.00959 -0.00877 0.00971 198 3S 0.22307 -0.36756 -0.64536 -0.46540 0.12804 199 3PX -0.18634 -0.11048 -0.18740 -0.09362 -0.09276 200 3PY -0.16615 0.08533 0.11927 0.03336 -0.08318 201 3PZ 0.19533 -0.21419 -0.00049 0.08842 -0.10531 202 4XX -0.22746 -0.02301 -0.16389 -0.10152 -0.03336 203 4YY 0.06983 0.05901 -0.00707 0.09129 0.04036 204 4ZZ 0.12395 -0.02531 0.18191 0.00522 -0.00892 205 4XY 0.06357 0.06842 0.02036 -0.05203 0.04819 206 4XZ 0.00041 0.08821 0.03425 -0.01499 0.08487 207 4YZ -0.11220 0.18986 0.01176 -0.06092 0.11560 208 20 H 1S 0.08203 0.03187 0.13183 0.07828 0.01952 209 2S 0.12084 0.01716 0.08302 0.10080 0.02307 210 21 H 1S 0.00364 -0.01752 -0.03541 0.06343 -0.04987 211 2S 0.00110 -0.05424 0.04037 0.03635 -0.06230 212 22 H 1S -0.02697 0.04419 -0.04469 0.03096 0.01404 213 2S -0.09443 0.05883 0.02289 -0.01404 0.02831 214 23 H 1S -0.02091 -0.00927 -0.02806 -0.12215 -0.02639 215 2S -0.10047 0.05356 -0.12801 -0.08251 -0.03974 216 24 H 1S 0.19111 -0.04983 0.06732 -0.03047 0.01299 217 2S 0.11030 0.08028 -0.01954 -0.04182 0.01465 218 25 H 1S -0.04247 0.01854 -0.00271 -0.03030 -0.00594 219 2S -0.09007 0.00340 -0.14881 -0.02899 -0.02685 220 26 H 1S -0.16945 0.07314 0.18565 0.01456 -0.02880 221 2S -0.08657 0.05927 -0.04516 0.00273 -0.01881 222 27 H 1S -0.20728 -0.00746 0.08105 -0.06197 0.00415 223 2S -0.09089 0.08785 0.02676 -0.00689 0.02742 224 28 C 1S -0.01709 0.00156 -0.00045 -0.00363 -0.00019 225 2S -0.02676 0.05744 -0.07737 -0.02018 -0.00170 226 2PX 0.03702 0.02170 -0.04564 -0.00310 0.00395 227 2PY -0.06026 -0.00044 0.00909 -0.01389 0.00289 228 2PZ 0.02585 0.03678 0.00139 -0.00273 -0.00058 229 3S 0.72369 -0.10338 0.03840 0.18099 0.05118 230 3PX 0.06774 -0.02647 0.01090 -0.01174 0.02005 231 3PY -0.18152 -0.05942 -0.06799 -0.06726 -0.02647 232 3PZ -0.02106 -0.43032 -0.02339 0.03762 0.01738 233 4XX 0.01525 -0.02773 0.00937 -0.03070 -0.00020 234 4YY -0.04069 0.22070 -0.00287 -0.00719 0.00272 235 4ZZ 0.00578 -0.19340 0.00899 0.03638 -0.00528 236 4XY 0.06641 0.10224 -0.03605 0.01442 -0.00495 237 4XZ -0.03556 0.05691 0.04939 0.00724 -0.00598 238 4YZ 0.04120 0.40988 0.08371 0.01073 -0.02133 239 29 H 1S -0.05825 -0.02168 0.03223 0.00198 -0.00944 240 2S -0.03055 0.01584 0.02894 0.01327 0.01609 241 30 H 1S -0.04530 -0.05074 -0.05567 -0.02592 0.01023 242 2S -0.04153 -0.11562 -0.01002 0.00243 0.00159 243 31 H 1S -0.06135 0.06938 -0.01160 -0.02042 0.00166 244 2S -0.00214 0.13003 0.02017 -0.02009 -0.00188 245 32 H 1S 0.09962 0.01664 -0.04997 0.01245 0.01089 246 2S 0.18630 -0.01758 -0.09026 0.02501 0.01649 247 33 H 1S 0.10366 0.11607 -0.10548 -0.01194 0.01351 248 2S 0.04727 0.13560 -0.04146 -0.00359 0.00063 249 34 H 1S 0.03648 -0.02950 -0.05983 -0.00779 0.01155 250 2S -0.05828 -0.12289 0.01421 -0.01159 0.00203 191 192 193 194 195 V V V V V Eigenvalues -- 1.96117 1.98422 1.99578 1.99979 2.02227 1 1 C 1S 0.00101 0.01993 -0.01237 0.00140 -0.00073 2 2S -0.02634 0.14715 -0.04471 -0.01117 -0.04005 3 2PX -0.03036 -0.03064 0.04726 -0.00325 -0.01712 4 2PY -0.00281 -0.06234 0.05305 -0.01951 -0.00474 5 2PZ 0.01343 0.00788 -0.02405 0.00189 -0.00562 6 3S -0.19474 -1.16320 0.50650 0.12039 0.20776 7 3PX -0.03021 -0.22264 0.24369 -0.01863 -0.04538 8 3PY -0.08424 -0.28293 -0.22186 0.20632 0.23596 9 3PZ -0.03134 0.09093 -0.00133 0.01394 -0.03844 10 4XX 0.04641 0.08155 0.19243 -0.09087 -0.14049 11 4YY -0.06566 0.02008 -0.17373 0.12528 0.09276 12 4ZZ 0.02534 -0.10462 0.00994 -0.05110 0.03567 13 4XY -0.00714 -0.02457 -0.17001 0.10932 0.15081 14 4XZ -0.00072 0.01766 0.06992 -0.00279 0.05209 15 4YZ -0.01429 -0.07093 0.01757 0.02800 0.01778 16 2 C 1S 0.00388 -0.01697 0.01968 -0.00850 -0.00212 17 2S 0.04541 -0.41386 0.42682 -0.18423 -0.12163 18 2PX -0.00866 -0.06972 0.05450 -0.00789 0.00036 19 2PY 0.02534 0.07199 -0.10411 0.01982 0.00050 20 2PZ -0.01224 -0.01720 0.02733 -0.01496 -0.01723 21 3S -0.18005 0.85884 -1.35247 0.67747 0.35765 22 3PX -0.20496 -0.52109 -1.06932 0.67245 0.74724 23 3PY -0.42317 -0.76078 0.97963 -0.04804 -0.23843 24 3PZ 0.12465 0.25695 -0.23455 -0.17477 -0.18622 25 4XX -0.04428 0.17184 -0.22363 0.11277 0.05159 26 4YY 0.00610 -0.06750 -0.08405 -0.00509 -0.00725 27 4ZZ 0.02579 -0.18858 0.35792 -0.11120 -0.03820 28 4XY -0.00293 -0.04862 -0.02790 0.04079 0.02892 29 4XZ -0.00542 0.01099 0.06320 0.03350 0.08461 30 4YZ -0.03700 -0.13970 0.01725 -0.08488 -0.21187 31 3 C 1S -0.00714 -0.00611 0.01529 -0.00459 -0.00455 32 2S -0.05273 -0.07315 0.38348 -0.18582 -0.16595 33 2PX -0.04569 0.03800 -0.11277 0.03355 0.03796 34 2PY 0.00335 0.00270 0.14051 -0.08038 -0.06687 35 2PZ 0.00320 -0.00546 -0.05537 -0.01110 -0.03623 36 3S 0.75779 0.16962 -0.02127 -0.32840 -0.19453 37 3PX 0.38488 -0.07407 -1.23383 0.48787 0.55982 38 3PY 0.51420 0.49024 -0.69513 -0.06988 0.18649 39 3PZ -0.08991 -0.26700 0.30763 0.03356 -0.02360 40 4XX 0.02385 0.23184 -0.13241 -0.00193 -0.03744 41 4YY -0.06574 -0.28322 -0.20367 0.11483 0.11487 42 4ZZ 0.06410 -0.01639 0.40306 -0.14551 -0.07013 43 4XY -0.01348 -0.12664 -0.04164 0.00021 0.01814 44 4XZ -0.00469 -0.05839 0.00081 -0.10535 -0.15774 45 4YZ -0.01456 0.01955 0.08269 -0.09745 -0.12917 46 4 C 1S -0.00042 -0.00363 -0.06313 0.02353 0.02273 47 2S 0.33996 -0.02623 -0.43273 0.02107 0.14548 48 2PX 0.03754 -0.03466 -0.00045 -0.02858 -0.01106 49 2PY -0.00803 0.02014 0.01330 0.00525 0.03214 50 2PZ 0.10236 -0.02383 0.05816 -0.04588 -0.02020 51 3S -1.05829 -0.08251 2.55334 -0.68218 -0.98961 52 3PX 0.22711 -0.07334 -0.02623 -0.09038 0.14048 53 3PY 0.36300 0.47100 -0.50040 -0.10464 -0.08897 54 3PZ -0.54811 0.34332 0.38394 0.05394 -0.04926 55 4XX -0.00105 -0.35546 0.05075 0.04032 0.04414 56 4YY 0.18562 0.25035 -0.11173 -0.19086 -0.20697 57 4ZZ -0.21011 0.09988 0.06647 0.15018 0.14306 58 4XY -0.18795 0.11521 -0.23024 0.18786 0.05506 59 4XZ -0.23996 0.11975 -0.00043 0.08465 0.02885 60 4YZ -0.00373 -0.10562 -0.02880 -0.16428 -0.26687 61 5 C 1S -0.05827 0.00583 0.04451 -0.00229 -0.02572 62 2S -0.13790 0.20493 0.39447 -0.34672 -0.39868 63 2PX -0.03508 0.03930 0.00925 0.00769 0.06968 64 2PY 0.02925 0.09830 0.00251 -0.05271 0.01987 65 2PZ -0.11765 0.00762 0.03022 0.06548 0.02392 66 3S 2.30728 -0.94292 -2.05550 0.97034 1.83217 67 3PX 0.38035 -0.02363 -0.18396 0.16132 0.27195 68 3PY 0.41309 -0.41729 0.31376 0.48301 0.57703 69 3PZ 0.09661 -0.05072 0.39813 -0.44657 -0.16932 70 4XX -0.07851 -0.41213 0.00193 0.04867 0.11966 71 4YY 0.27081 0.19233 -0.04492 -0.12761 -0.13154 72 4ZZ -0.20450 0.21190 0.01971 0.08811 0.05317 73 4XY -0.20990 0.18324 0.20866 0.23518 -0.02816 74 4XZ -0.22213 0.00998 -0.24388 0.11205 -0.02512 75 4YZ 0.16271 0.14906 -0.08673 -0.17987 0.02892 76 6 C 1S 0.00869 0.00782 -0.00727 -0.01352 0.01851 77 2S 0.28435 0.27091 -0.31784 -0.36954 0.06037 78 2PX -0.15038 0.05458 0.07994 -0.04424 -0.01859 79 2PY -0.06809 0.08926 0.06861 0.08397 -0.12197 80 2PZ 0.03273 -0.02713 -0.01552 0.00903 0.04592 81 3S -0.55878 -0.75192 1.20421 0.93635 -0.52479 82 3PX 1.88451 -0.37096 0.08515 1.17938 0.88514 83 3PY 0.53820 -1.15507 -0.84617 0.04392 1.12452 84 3PZ -0.39768 0.42994 0.33480 -0.13210 -0.10403 85 4XX 0.00267 -0.02990 0.08558 0.17063 -0.14188 86 4YY -0.06037 -0.01204 0.12839 -0.01719 0.16675 87 4ZZ 0.09334 0.04617 -0.22401 -0.17352 0.00474 88 4XY -0.10361 -0.10098 0.14445 0.01361 0.08660 89 4XZ 0.03820 0.06612 0.04687 -0.05116 0.13083 90 4YZ 0.14458 0.19405 0.10444 -0.08231 0.34206 91 7 C 1S 0.01855 -0.00705 -0.00095 -0.00124 0.01360 92 2S 0.12025 -0.21394 -0.07987 -0.23402 0.30771 93 2PX 0.05313 0.04320 -0.02695 -0.08131 0.01408 94 2PY -0.06559 -0.04819 -0.02830 -0.15882 0.12717 95 2PZ 0.01064 0.01627 0.03566 0.03515 0.00624 96 3S -1.52621 0.71886 -0.52019 -0.61741 -0.86259 97 3PX -0.03570 0.46029 0.50228 0.63123 -0.48642 98 3PY -0.53238 0.89561 -0.06745 -0.24518 -0.76267 99 3PZ 0.08977 -0.28025 -0.27974 -0.12329 0.16258 100 4XX -0.06870 0.10775 0.06935 0.08370 -0.01792 101 4YY -0.01652 -0.04664 0.01237 0.13460 -0.11711 102 4ZZ 0.08945 -0.07307 -0.10014 -0.27267 0.19261 103 4XY 0.02607 0.17046 0.03655 0.00387 -0.02262 104 4XZ 0.03506 0.00554 0.07909 -0.06663 0.23510 105 4YZ 0.03021 -0.10472 -0.22873 -0.15868 -0.00752 106 8 C 1S 0.00933 -0.00022 -0.00039 0.00506 0.00014 107 2S 0.03651 -0.25753 -0.02367 -0.00767 0.10340 108 2PX -0.07195 0.00843 0.06141 -0.00238 -0.01083 109 2PY -0.06011 0.13640 0.00310 -0.01655 -0.04670 110 2PZ 0.02125 -0.02162 -0.01967 0.00785 -0.00053 111 3S 0.72848 -0.79275 -0.44444 -0.17066 0.80164 112 3PX 0.04274 0.38455 -0.20863 0.21992 -0.30661 113 3PY -0.74478 0.14571 0.26948 -0.13637 -0.21150 114 3PZ 0.09033 -0.09730 0.11107 0.01595 0.05225 115 4XX 0.06330 0.10815 0.05462 0.13469 -0.08366 116 4YY -0.29852 0.01602 -0.03035 -0.23490 0.11541 117 4ZZ 0.27024 -0.21404 -0.03527 0.09515 0.02946 118 4XY 0.03164 -0.03705 0.07416 0.22667 -0.04948 119 4XZ 0.04848 -0.03865 -0.03756 -0.05584 0.12603 120 4YZ 0.14037 0.02511 -0.05541 -0.02810 0.15890 121 9 C 1S 0.02175 -0.01369 -0.00441 0.00865 0.00720 122 2S 0.33496 -0.13438 -0.05165 0.25223 0.00545 123 2PX -0.07976 0.07240 0.01375 -0.08045 -0.00046 124 2PY -0.12457 -0.07176 -0.03237 -0.17582 0.09506 125 2PZ 0.03084 -0.00718 0.00853 0.04386 -0.02530 126 3S -1.36205 0.35190 0.54244 -0.40512 -0.32362 127 3PX 0.49920 -0.58237 -0.37226 -0.14071 0.43498 128 3PY 0.67143 -0.20071 -0.20141 -0.20802 0.33557 129 3PZ -0.15984 0.16768 0.04125 0.03382 -0.08478 130 4XX -0.15972 0.16769 -0.04084 -0.23710 0.00757 131 4YY -0.11280 -0.13396 0.05191 -0.00693 0.02981 132 4ZZ 0.25394 -0.06586 0.00608 0.26488 -0.03016 133 4XY -0.24492 -0.12054 0.00208 -0.21569 0.13966 134 4XZ 0.10156 -0.05066 0.07832 0.18772 -0.08645 135 4YZ 0.06964 -0.02128 -0.01507 0.09714 -0.08955 136 10 C 1S -0.00417 -0.00706 0.00823 0.01229 -0.00200 137 2S 0.02044 0.04752 -0.00053 0.01610 -0.01697 138 2PX 0.09035 -0.04352 -0.04070 -0.00551 0.03051 139 2PY -0.05828 0.00708 -0.01305 -0.05570 0.02691 140 2PZ -0.01510 -0.00576 -0.00221 0.00670 -0.02200 141 3S 0.76527 -0.39773 -0.41104 -0.35038 0.42432 142 3PX -0.83219 0.75088 0.52991 0.64603 -0.66193 143 3PY 0.26908 0.03042 -0.02317 0.01923 0.12163 144 3PZ 0.05484 -0.20760 -0.08243 -0.10879 0.01380 145 4XX -0.09244 -0.00289 0.02560 -0.00378 -0.04445 146 4YY 0.03040 -0.02845 -0.05469 -0.12682 0.07391 147 4ZZ 0.10050 0.02424 0.02715 0.16349 -0.02942 148 4XY 0.07734 0.11641 -0.03030 0.01567 -0.07879 149 4XZ 0.00485 -0.05372 -0.00719 0.03954 -0.06022 150 4YZ -0.00369 -0.00405 0.03309 0.04953 0.03848 151 11 C 1S -0.01291 0.00150 0.00349 0.00167 -0.00261 152 2S -0.01376 0.04880 -0.05238 -0.05601 0.00101 153 2PX -0.04861 0.01322 0.03911 0.04256 -0.02598 154 2PY -0.01071 -0.01146 -0.00305 -0.00927 0.01419 155 2PZ 0.00856 -0.00038 -0.00354 -0.00578 0.00858 156 3S 0.48921 -0.43926 -0.17907 -0.24107 0.33348 157 3PX -0.08831 0.13345 0.03775 0.08547 -0.08170 158 3PY 0.11215 -0.11178 -0.01660 -0.00119 0.03589 159 3PZ 0.04493 0.05975 0.00076 -0.02330 0.11381 160 4XX -0.14031 -0.01886 0.06236 0.02224 -0.02538 161 4YY 0.07666 0.08114 -0.03799 -0.03397 0.01397 162 4ZZ 0.05702 -0.06566 -0.01222 0.02972 0.00646 163 4XY 0.06759 0.10046 0.00617 0.08322 -0.01680 164 4XZ -0.00171 -0.06624 -0.02457 -0.00953 -0.02294 165 4YZ 0.02814 0.02326 0.02422 -0.00901 0.11831 166 12 H 1S -0.05124 -0.04190 0.03461 0.03976 0.00006 167 2S 0.03154 -0.00173 -0.00673 0.00771 -0.01401 168 13 H 1S -0.06828 0.03890 0.01618 -0.03437 0.04013 169 2S 0.00279 0.06276 -0.00622 0.00359 0.00304 170 14 H 1S -0.08970 -0.00399 -0.00029 -0.03068 -0.05642 171 2S -0.02239 0.03120 0.00287 0.01024 -0.03742 172 15 O 1S 0.01392 -0.01021 -0.00732 -0.00577 0.00526 173 2S 0.10619 -0.24228 -0.05871 -0.11826 0.15736 174 2PX -0.02445 -0.03590 0.01166 0.04308 0.00107 175 2PY -0.01756 -0.08335 0.01090 -0.01690 0.05989 176 2PZ -0.00371 0.00370 -0.01033 -0.00598 -0.02554 177 3S -0.62113 0.79623 0.42293 0.56882 -0.53033 178 3PX -0.02150 0.08453 0.05683 0.02120 -0.01014 179 3PY -0.18597 0.26209 0.11816 0.20194 -0.20910 180 3PZ 0.05670 -0.01946 -0.01714 -0.03389 0.07500 181 4XX 0.08738 -0.13893 -0.13489 -0.23033 0.17745 182 4YY 0.27182 0.01215 -0.02771 0.20207 -0.07358 183 4ZZ -0.26181 -0.01826 0.12416 -0.00403 -0.02769 184 4XY -0.17948 0.02038 0.07786 -0.04633 0.01612 185 4XZ -0.01283 0.07569 0.05156 0.05028 0.03930 186 4YZ -0.05270 0.00625 0.03736 -0.01532 -0.00352 187 16 H 1S 0.25389 0.10676 0.05891 0.38988 -0.21896 188 2S -0.27288 0.16764 0.11080 0.04117 -0.12730 189 17 H 1S 0.35212 0.01953 -0.01311 0.22104 -0.07144 190 2S 0.14137 -0.06978 -0.03399 0.04795 0.04690 191 18 H 1S 0.00551 0.13929 -0.07958 -0.19038 0.03673 192 2S -0.09631 0.22681 0.11015 0.00559 -0.20712 193 19 C 1S -0.00012 -0.02371 -0.00334 0.01440 0.01659 194 2S 0.07005 -0.18349 -0.06409 0.20531 0.08894 195 2PX -0.04894 0.02335 0.01095 -0.00619 -0.07172 196 2PY -0.04127 -0.04632 0.00159 -0.01266 0.02152 197 2PZ 0.01233 -0.00383 -0.00568 0.00828 -0.00703 198 3S -0.12817 1.29505 0.42889 -0.57652 -0.75144 199 3PX -0.42935 0.12251 -0.13222 -0.26716 -0.21353 200 3PY -0.03885 -0.46547 -0.20530 0.11309 0.11310 201 3PZ 0.00616 -0.18035 -0.20561 0.02260 -0.36753 202 4XX -0.19052 0.14274 -0.13136 -0.18525 -0.12698 203 4YY -0.01661 -0.01197 0.16392 0.02997 0.17054 204 4ZZ 0.20757 -0.14176 -0.04670 0.14792 -0.03357 205 4XY 0.16469 -0.01374 0.09247 0.20518 0.02648 206 4XZ 0.11297 0.13428 0.20711 0.00218 0.36846 207 4YZ 0.10118 0.12735 0.17954 -0.04189 0.26424 208 20 H 1S 0.10401 -0.11235 0.07177 0.05352 0.19209 209 2S 0.12382 -0.02836 0.00540 0.13156 -0.00374 210 21 H 1S -0.08868 -0.15630 -0.11000 0.04701 -0.16573 211 2S -0.05353 -0.10590 -0.09937 0.01440 -0.03950 212 22 H 1S -0.03894 0.01974 0.08933 0.03322 0.20151 213 2S -0.00850 0.03589 -0.01718 0.01515 0.10128 214 23 H 1S -0.37922 0.09467 0.03965 0.14714 -0.21532 215 2S -0.10879 0.14070 0.00994 -0.06861 -0.15695 216 24 H 1S -0.28235 -0.03024 0.31704 0.10134 0.05965 217 2S -0.06191 0.00344 0.23835 0.07447 -0.05931 218 25 H 1S -0.10455 0.24699 -0.28067 0.19731 0.13009 219 2S 0.00017 0.16585 -0.13070 -0.01438 0.03819 220 26 H 1S -0.12882 -0.24602 -0.17807 0.17709 0.15527 221 2S -0.05146 -0.05561 0.00943 0.06472 0.08183 222 27 H 1S 0.04088 0.24006 0.09616 -0.12831 -0.09288 223 2S 0.11436 0.14305 -0.11908 -0.06303 0.03744 224 28 C 1S -0.00414 0.00449 -0.00149 0.00361 0.00098 225 2S -0.07072 0.03426 -0.06207 0.06019 -0.01397 226 2PX -0.00067 0.06297 -0.04278 0.00354 -0.01683 227 2PY -0.00331 0.03963 0.01171 -0.00974 -0.00502 228 2PZ -0.01303 0.00575 0.01083 -0.00022 0.00034 229 3S 0.35134 0.01897 -0.38463 -0.08582 0.19959 230 3PX 0.13944 0.20668 0.12926 -0.16141 -0.11867 231 3PY -0.07424 0.04728 0.31507 -0.02045 -0.13815 232 3PZ 0.07362 0.00361 -0.00700 0.13067 0.30419 233 4XX 0.05809 0.15006 0.26333 -0.18087 -0.23318 234 4YY -0.03155 0.04707 -0.25772 0.03309 -0.00733 235 4ZZ -0.01962 -0.20820 0.01763 0.13867 0.23498 236 4XY -0.02958 -0.02232 -0.12319 0.04184 -0.05438 237 4XZ -0.00713 -0.10131 -0.06318 -0.02447 -0.07129 238 4YZ -0.03199 -0.18703 -0.03722 -0.11826 -0.22528 239 29 H 1S -0.03807 -0.13846 0.02684 0.04122 0.07493 240 2S -0.01387 -0.02215 -0.14726 0.05386 0.07881 241 30 H 1S -0.00430 0.16640 0.00352 0.03661 0.06802 242 2S 0.02731 -0.00080 0.04834 0.01017 0.03474 243 31 H 1S -0.01749 0.07467 -0.09366 -0.01632 -0.09875 244 2S -0.03231 0.02565 0.03268 -0.04665 -0.09149 245 32 H 1S 0.02157 0.00199 -0.09669 0.02636 0.06789 246 2S -0.00737 0.07177 -0.20346 0.08021 0.06935 247 33 H 1S -0.00025 0.13738 -0.04673 0.02647 0.03345 248 2S 0.03310 0.02562 0.02775 -0.03933 -0.04400 249 34 H 1S -0.01821 0.08700 -0.11831 0.03728 -0.03746 250 2S -0.01709 0.05404 0.01568 -0.00287 -0.01993 196 197 198 199 200 V V V V V Eigenvalues -- 2.04545 2.05516 2.06912 2.08682 2.11706 1 1 C 1S -0.00229 -0.00160 0.00951 -0.00528 -0.00582 2 2S -0.05138 -0.04982 0.17534 -0.01125 0.01460 3 2PX -0.01429 -0.01874 0.02606 0.02848 0.04371 4 2PY 0.00796 -0.01277 -0.04660 -0.02855 -0.00975 5 2PZ 0.01018 -0.02218 0.02679 -0.02957 0.02584 6 3S 0.18528 0.07985 -0.95008 0.01910 0.03262 7 3PX 0.00672 0.02261 -0.08558 0.19782 0.21229 8 3PY 0.11756 -0.01553 -0.35891 -0.30257 -0.17503 9 3PZ 0.00851 -0.21081 0.22070 -0.18195 0.24062 10 4XX -0.05634 0.05891 0.17538 0.26415 0.14490 11 4YY 0.02230 -0.11051 0.08297 -0.15057 0.08513 12 4ZZ 0.03337 0.05183 -0.26510 -0.11426 -0.23764 13 4XY 0.05627 0.07254 -0.30423 -0.16492 -0.24853 14 4XZ -0.06369 0.18278 -0.03666 0.22341 -0.13571 15 4YZ 0.05268 -0.18537 0.07511 -0.26007 0.15750 16 2 C 1S 0.00336 0.00257 -0.02753 -0.00487 -0.00576 17 2S 0.00336 0.02422 -0.13002 0.24974 0.31715 18 2PX 0.00071 0.00149 -0.10716 -0.01128 0.02404 19 2PY 0.00438 0.02670 0.05077 0.06772 0.04973 20 2PZ -0.00011 -0.01872 -0.01281 -0.01129 -0.02018 21 3S -0.02505 -0.11934 0.71800 -0.60962 -0.59093 22 3PX 0.29025 -0.00169 -0.60113 -0.92946 -0.88989 23 3PY -0.07850 -0.10128 -0.46580 0.42101 0.48549 24 3PZ 0.02545 -0.08350 0.14701 -0.07631 -0.07104 25 4XX -0.03298 -0.00136 0.26476 0.02791 0.04007 26 4YY 0.09490 -0.17574 -0.14797 -0.27085 -0.02755 27 4ZZ -0.05390 0.17962 -0.19807 0.24500 0.01169 28 4XY 0.02481 0.00544 -0.07824 -0.02467 0.07567 29 4XZ -0.02432 0.02060 0.06521 -0.09129 0.14905 30 4YZ 0.08116 -0.35524 0.13623 -0.19329 0.21147 31 3 C 1S -0.00140 0.00172 -0.02094 -0.00162 -0.00668 32 2S -0.02414 -0.08834 -0.22114 -0.19805 -0.24634 33 2PX -0.00392 -0.04907 0.05448 -0.10140 -0.07460 34 2PY -0.01380 -0.05751 -0.03950 -0.11993 -0.11397 35 2PZ 0.02020 -0.02651 0.00014 0.02652 0.00976 36 3S 0.04623 0.20766 0.98976 0.98762 1.10967 37 3PX 0.27855 0.12349 0.28358 -0.53932 -0.45643 38 3PY 0.15492 0.20598 0.41704 0.18495 0.05082 39 3PZ -0.04043 0.01134 -0.10211 0.11348 -0.09329 40 4XX -0.01503 -0.01284 0.18985 0.00560 -0.07618 41 4YY 0.05801 0.01306 -0.14751 0.11505 0.08697 42 4ZZ -0.02811 0.02187 -0.17076 -0.13643 -0.00467 43 4XY 0.04132 -0.00355 -0.11927 0.07549 0.07473 44 4XZ 0.01694 -0.06593 -0.02269 0.01661 -0.11000 45 4YZ -0.01905 0.02173 -0.03097 0.11528 -0.32836 46 4 C 1S 0.01045 0.00971 0.02856 0.00737 -0.00687 47 2S 0.12046 0.19421 0.29838 -0.12656 -0.18441 48 2PX 0.00328 0.01087 -0.05823 0.00464 0.10533 49 2PY -0.01073 -0.00741 0.01566 0.00731 0.04467 50 2PZ 0.00845 0.01696 0.00007 -0.02730 -0.01458 51 3S -0.54400 -0.74539 -1.53749 0.04793 0.51573 52 3PX 0.09344 -0.07148 -0.03857 0.00125 0.25250 53 3PY 0.11872 -0.08276 0.18774 -0.39851 -0.21969 54 3PZ -0.23576 -0.13936 -0.29900 -0.04788 0.46778 55 4XX 0.00430 -0.02115 0.14868 0.10759 0.11333 56 4YY 0.07127 -0.06832 -0.00656 -0.04435 -0.25081 57 4ZZ -0.08098 0.07184 -0.15611 -0.03893 0.13244 58 4XY -0.00993 0.03933 -0.03836 0.22835 0.18215 59 4XZ -0.06664 -0.17933 0.05105 -0.10856 -0.08776 60 4YZ 0.07093 -0.11197 -0.23407 0.05755 -0.12197 61 5 C 1S -0.02112 -0.03310 -0.03040 -0.00132 0.00763 62 2S -0.14947 -0.18054 -0.43438 0.04997 0.19472 63 2PX -0.03658 0.00403 -0.06810 -0.01455 0.10631 64 2PY 0.00231 0.01443 -0.01889 -0.03777 0.02194 65 2PZ -0.03591 -0.02874 0.00163 -0.02198 -0.00270 66 3S 0.77727 1.18237 1.98661 0.06090 -0.63566 67 3PX 0.04588 0.26826 0.10526 0.03488 0.25661 68 3PY -0.00250 0.11026 0.52767 0.04906 -0.04772 69 3PZ 0.02377 -0.15397 -0.35661 -0.09468 0.33093 70 4XX 0.07534 0.00802 0.03685 0.04020 0.17255 71 4YY 0.00210 -0.00505 -0.10660 -0.12082 0.02739 72 4ZZ -0.07723 0.00934 0.09781 0.06615 -0.20609 73 4XY -0.10803 -0.15213 0.08013 -0.07280 -0.18278 74 4XZ -0.01826 -0.06424 -0.05953 0.06347 0.03663 75 4YZ 0.11338 -0.03649 0.06171 -0.10176 -0.03764 76 6 C 1S 0.00857 0.01380 0.01213 -0.00799 -0.00470 77 2S 0.37452 0.28186 -0.09206 0.00265 0.14635 78 2PX 0.04644 0.04146 -0.01128 -0.02892 -0.02340 79 2PY 0.04168 -0.03146 -0.09545 -0.03802 0.01121 80 2PZ -0.01578 0.00632 0.02726 0.03431 -0.01455 81 3S -0.22090 -0.75908 0.29149 -0.13977 -0.54709 82 3PX 0.17137 0.10957 1.26244 -0.20178 -0.53396 83 3PY -0.04842 0.54577 0.45058 0.46391 0.63058 84 3PZ -0.07061 -0.12784 -0.32431 -0.17399 0.04696 85 4XX -0.10420 -0.06194 -0.11616 -0.04599 0.08134 86 4YY -0.06123 -0.11001 0.07903 -0.01013 -0.06643 87 4ZZ 0.21519 0.21630 0.08671 0.03238 -0.06284 88 4XY 0.10339 -0.06574 0.11240 -0.05891 -0.12230 89 4XZ -0.05806 0.22639 -0.00236 -0.26649 0.17800 90 4YZ 0.15088 -0.17400 -0.13747 -0.00243 0.16956 91 7 C 1S 0.00428 0.00523 0.01428 -0.00449 -0.00236 92 2S -0.03707 0.04544 0.25556 -0.06257 -0.07199 93 2PX -0.19907 -0.07346 -0.06821 0.02715 0.06226 94 2PY -0.08108 -0.00350 0.06186 -0.00020 -0.01946 95 2PZ 0.06539 -0.03163 -0.01035 0.02029 -0.00741 96 3S 0.39848 0.39140 -1.19424 0.36336 0.67819 97 3PX 0.85244 0.06379 0.41557 -0.34089 -0.74880 98 3PY -0.04912 -0.09486 -0.78635 -0.05405 0.12628 99 3PZ -0.00191 -0.16595 0.05077 0.33439 0.00155 100 4XX -0.11219 -0.10546 -0.13411 0.04545 0.06218 101 4YY 0.21893 -0.09537 0.06943 0.10935 -0.19339 102 4ZZ -0.06990 0.22705 0.13656 -0.16875 0.07741 103 4XY 0.16086 0.00631 -0.01957 0.04871 -0.06726 104 4XZ 0.04734 -0.12184 -0.01490 0.09683 0.01602 105 4YZ 0.10638 -0.22134 -0.00408 0.29876 -0.07050 106 8 C 1S 0.00563 0.00320 0.00653 -0.00274 -0.00311 107 2S 0.15751 0.05557 0.20330 -0.02947 -0.08559 108 2PX 0.00341 -0.02623 0.03590 -0.03638 -0.13301 109 2PY -0.09986 -0.01711 -0.09829 0.00488 0.05213 110 2PZ 0.00100 0.04081 0.01951 -0.02896 0.01965 111 3S -1.84071 -0.67310 0.03257 0.35838 0.05759 112 3PX -0.24541 -0.02334 -0.20047 0.01751 -0.07122 113 3PY 0.89536 0.36073 0.15475 -0.22309 -0.10544 114 3PZ -0.24139 0.17533 0.03452 -0.24561 0.14301 115 4XX 0.30174 0.06451 -0.02825 0.01766 0.00471 116 4YY -0.21327 -0.18043 -0.07765 0.09269 -0.02550 117 4ZZ -0.13882 0.08795 0.16761 -0.11393 -0.02602 118 4XY 0.09183 -0.10173 -0.06032 0.08447 0.02548 119 4XZ -0.03136 -0.12007 0.01858 0.06022 -0.01098 120 4YZ 0.20495 -0.30785 -0.01756 0.31942 -0.11067 121 9 C 1S -0.01817 -0.00897 0.00822 0.00155 -0.00696 122 2S -0.46020 -0.22263 -0.02577 0.05327 -0.02409 123 2PX 0.16337 0.08309 0.01963 -0.01904 -0.02454 124 2PY -0.04043 0.00972 0.04849 -0.01173 0.00682 125 2PZ -0.03607 0.00494 -0.00734 -0.01106 0.00616 126 3S 1.92130 0.74127 0.06128 -0.26972 -0.01166 127 3PX -1.36598 -0.60584 0.14709 0.15221 -0.41510 128 3PY -0.79717 -0.29156 0.04646 0.06083 0.03301 129 3PZ 0.46407 0.00557 -0.04902 0.12766 -0.00158 130 4XX -0.14908 0.09723 -0.08421 -0.08550 0.10436 131 4YY 0.17792 0.04242 0.08926 -0.00692 -0.04551 132 4ZZ -0.02680 -0.14639 0.01458 0.08616 -0.07502 133 4XY -0.14213 -0.01355 0.12173 -0.05636 -0.15735 134 4XZ -0.10634 0.21342 0.04240 -0.25652 0.09880 135 4YZ -0.02458 -0.02302 -0.03928 0.05700 0.02356 136 10 C 1S 0.01363 -0.00009 0.00898 -0.00212 -0.01773 137 2S -0.11661 -0.05391 -0.01413 -0.00941 -0.10928 138 2PX -0.18156 -0.07078 -0.01303 0.01347 -0.03149 139 2PY -0.08180 -0.03053 0.01116 0.00533 -0.05887 140 2PZ 0.05250 0.00424 -0.00063 0.02355 0.00351 141 3S -0.99222 -0.28245 0.01283 0.11496 0.26313 142 3PX 1.30728 0.45446 -0.24432 -0.03948 0.23737 143 3PY -0.30175 -0.07399 0.04561 -0.00484 0.13753 144 3PZ -0.25340 0.03035 0.05351 -0.07099 -0.04337 145 4XX 0.12011 0.08019 0.00379 -0.02844 0.04768 146 4YY -0.00469 0.01448 0.00798 0.01304 0.07721 147 4ZZ -0.17094 -0.12394 -0.01113 0.01951 -0.15413 148 4XY -0.02386 0.02608 -0.12214 0.00570 0.16871 149 4XZ -0.10818 0.05068 0.04379 -0.07477 -0.06803 150 4YZ -0.00406 -0.08802 -0.00123 0.04383 -0.06022 151 11 C 1S 0.00997 0.00294 -0.00043 0.00054 0.00133 152 2S -0.16271 -0.04705 -0.06612 0.02210 0.02204 153 2PX 0.10952 0.03272 0.00595 -0.00174 0.01095 154 2PY -0.02962 -0.01670 0.01141 0.00215 -0.03593 155 2PZ -0.01261 -0.01179 -0.00665 0.00737 0.00701 156 3S -0.46731 -0.17091 0.24638 -0.04618 -0.22418 157 3PX 0.05699 -0.01098 -0.09534 0.03853 0.02352 158 3PY 0.06011 -0.01672 0.06384 0.00370 -0.14002 159 3PZ 0.05321 -0.12741 -0.02437 0.10384 0.00828 160 4XX 0.23800 0.07924 0.06353 -0.01087 -0.01259 161 4YY -0.09538 -0.04031 -0.10174 0.03318 0.17677 162 4ZZ -0.11459 -0.03288 0.04750 -0.02528 -0.16961 163 4XY -0.14508 -0.08209 -0.05861 0.03342 -0.00962 164 4XZ -0.06003 -0.00814 0.00279 0.01209 -0.02819 165 4YZ 0.08817 -0.11843 -0.00163 0.09159 -0.05308 166 12 H 1S 0.08159 0.00224 0.06285 -0.00250 -0.14512 167 2S 0.02298 0.01189 -0.01224 0.00228 0.01870 168 13 H 1S 0.10590 -0.02821 -0.03570 0.06010 0.08657 169 2S -0.00116 -0.03345 -0.03239 0.03334 0.01450 170 14 H 1S 0.04393 0.10551 0.00626 -0.06117 0.07483 171 2S -0.03951 0.02697 -0.02333 -0.02147 0.03323 172 15 O 1S -0.01149 -0.00369 0.00148 0.00096 -0.00068 173 2S -0.11948 -0.06548 0.16207 -0.02655 -0.19544 174 2PX -0.04912 -0.03387 0.01530 0.01188 -0.06504 175 2PY -0.02395 -0.02683 0.08856 -0.01257 -0.12841 176 2PZ 0.00985 0.01488 -0.01453 0.00338 0.02810 177 3S 0.75928 0.26432 -0.30910 0.00907 0.30475 178 3PX 0.10417 0.02567 0.02730 -0.03584 -0.01074 179 3PY 0.22488 0.07280 -0.15972 0.01902 0.13282 180 3PZ -0.04075 -0.03530 0.01427 0.00211 -0.01167 181 4XX -0.29874 -0.11377 0.03213 0.02420 -0.06504 182 4YY -0.23074 -0.08540 -0.07742 0.00942 0.00268 183 4ZZ 0.42996 0.14480 0.12167 -0.03571 -0.04879 184 4XY 0.28638 0.11387 0.07379 -0.04244 0.01041 185 4XZ 0.15613 -0.03581 -0.01068 0.02973 0.01323 186 4YZ 0.02571 0.10129 0.03844 -0.09634 0.01381 187 16 H 1S 0.22824 0.06209 -0.09485 0.01895 0.13985 188 2S 0.42833 0.17780 -0.04206 -0.02766 0.11705 189 17 H 1S 0.16245 0.05806 0.03121 0.01119 0.00941 190 2S -0.22463 -0.09378 -0.03663 0.03235 0.01492 191 18 H 1S -0.28863 -0.01568 -0.14220 -0.02933 0.13897 192 2S 0.20343 -0.02374 -0.08707 -0.11984 -0.10057 193 19 C 1S -0.00649 0.00277 0.01133 0.00660 0.00526 194 2S 0.07524 0.06443 0.08916 0.02063 0.04600 195 2PX -0.00359 -0.01363 -0.07767 0.02182 0.03651 196 2PY -0.06771 -0.01614 0.00102 0.03791 0.01790 197 2PZ 0.00284 0.02485 0.02366 0.00664 -0.02747 198 3S 0.10283 -0.26420 -0.45233 -0.39593 -0.41664 199 3PX -0.10216 0.05169 -0.27519 0.03837 0.14908 200 3PY 0.07827 0.16753 0.02330 0.15041 0.24520 201 3PZ -0.04569 0.15198 0.17618 0.07221 -0.23769 202 4XX 0.02701 0.01443 -0.38579 0.06363 0.33060 203 4YY -0.18388 -0.13457 0.11319 0.00619 -0.10349 204 4ZZ 0.15637 0.12921 0.26638 -0.05583 -0.21136 205 4XY 0.09180 -0.06423 -0.07304 0.04748 0.11532 206 4XZ 0.08720 -0.18590 -0.02904 -0.14277 0.11658 207 4YZ 0.13031 -0.12257 -0.03046 0.07638 -0.02844 208 20 H 1S 0.01725 -0.00522 0.28018 -0.07106 -0.20961 209 2S -0.03068 -0.03450 0.03275 0.04368 -0.01151 210 21 H 1S -0.13148 0.08534 0.03771 0.13372 -0.05309 211 2S -0.01021 0.06871 0.05591 0.02069 -0.01484 212 22 H 1S -0.07018 -0.11850 -0.11402 -0.04406 0.21875 213 2S 0.01189 -0.01141 -0.01134 0.00737 0.02724 214 23 H 1S -0.13677 -0.13138 -0.20122 0.05988 0.02794 215 2S -0.03680 -0.01520 -0.14092 0.00294 0.02762 216 24 H 1S -0.04812 -0.14867 0.07984 -0.01191 -0.08328 217 2S -0.12939 -0.04110 0.00166 0.04452 -0.00296 218 25 H 1S -0.04041 -0.01010 0.25387 -0.05372 -0.01993 219 2S 0.00996 0.05304 0.03533 -0.08169 0.01509 220 26 H 1S 0.03410 0.07781 -0.01681 0.20077 0.17683 221 2S -0.04382 0.11014 0.00891 0.08717 0.13225 222 27 H 1S -0.02695 0.01537 0.00743 -0.02091 -0.13944 223 2S 0.05281 0.03376 0.00317 0.01010 -0.02359 224 28 C 1S -0.00035 -0.00079 0.00101 0.00379 0.00383 225 2S -0.01492 0.00136 0.06533 0.15729 0.15790 226 2PX -0.01391 0.00340 0.06972 0.03358 0.02387 227 2PY -0.00863 -0.01109 0.02222 -0.00668 -0.01509 228 2PZ -0.00965 0.01935 -0.02923 0.02313 -0.01791 229 3S 0.12648 0.08915 -0.14451 -0.58012 -0.58900 230 3PX -0.06892 0.02846 0.29175 0.08062 0.02185 231 3PY -0.13491 0.10587 0.21962 0.47201 0.39780 232 3PZ -0.04505 0.34724 -0.12938 0.10785 -0.22144 233 4XX -0.09203 -0.06013 0.39395 0.20243 0.21746 234 4YY 0.06859 -0.14287 -0.04864 -0.26952 -0.20556 235 4ZZ 0.02416 0.20883 -0.34704 0.07289 -0.01302 236 4XY 0.00720 -0.06001 0.23286 0.15752 0.28890 237 4XZ 0.09774 -0.25135 -0.02662 -0.30591 0.08200 238 4YZ 0.10029 -0.26404 -0.08141 -0.08743 0.06682 239 29 H 1S 0.04920 -0.00167 -0.32689 -0.16144 -0.14026 240 2S 0.04994 -0.04334 -0.01409 -0.04621 -0.06252 241 30 H 1S -0.08312 0.17755 0.06161 0.17225 -0.12580 242 2S -0.01881 0.06420 0.05556 0.07646 0.06205 243 31 H 1S 0.03196 -0.20625 0.19260 -0.16239 0.10687 244 2S -0.00704 -0.07158 0.03361 0.03793 0.04601 245 32 H 1S 0.04651 0.01636 -0.20653 -0.18411 -0.19520 246 2S 0.00535 -0.00272 0.07136 -0.07717 -0.05849 247 33 H 1S -0.06725 0.16702 0.02704 0.22703 -0.11992 248 2S -0.01392 0.01894 0.05458 0.06033 0.01960 249 34 H 1S 0.02514 -0.17809 0.18395 -0.15598 0.18201 250 2S -0.02074 -0.02073 0.07439 0.02226 0.05579 201 202 203 204 205 V V V V V Eigenvalues -- 2.13243 2.13919 2.14982 2.20051 2.21700 1 1 C 1S 0.01369 -0.00421 0.00483 0.00588 -0.00186 2 2S 0.22135 -0.06919 0.10581 0.06057 -0.03190 3 2PX 0.00842 -0.00343 0.01115 -0.00813 0.00570 4 2PY -0.00561 0.00291 -0.00849 0.01470 0.01712 5 2PZ -0.01572 0.00698 -0.00402 0.02005 0.02554 6 3S -0.75425 0.22586 -0.37484 -0.21112 0.15355 7 3PX -0.36093 0.11042 -0.11521 -0.15230 0.06069 8 3PY -0.14408 0.04817 -0.16008 0.07242 0.13753 9 3PZ -0.04609 0.02275 0.01825 0.09486 0.13458 10 4XX -0.17282 0.05305 -0.04088 -0.09419 -0.01173 11 4YY 0.03120 -0.00940 0.01716 0.04687 0.04055 12 4ZZ 0.13707 -0.04213 0.01984 0.05060 -0.02696 13 4XY -0.13767 0.04853 -0.15822 0.02156 0.05941 14 4XZ 0.16860 -0.06556 0.08252 -0.09530 -0.27115 15 4YZ -0.07429 0.03392 -0.01750 0.13718 0.07838 16 2 C 1S -0.01813 0.00636 -0.00990 0.00052 0.00562 17 2S -0.25074 0.08007 0.02983 -0.16208 -0.07427 18 2PX -0.06000 0.02166 -0.01534 -0.01181 0.00024 19 2PY -0.14734 0.04865 -0.06069 -0.08567 0.04263 20 2PZ 0.03946 -0.01413 0.01347 0.02065 0.01079 21 3S 0.83610 -0.27366 0.03028 0.26507 0.01604 22 3PX 0.47720 -0.16588 -0.14411 0.36542 0.10600 23 3PY -0.67760 0.20143 -0.24540 -0.32251 0.12878 24 3PZ 0.17561 -0.04980 0.09573 0.03243 -0.09122 25 4XX 0.13905 -0.04723 0.06359 0.08310 -0.00537 26 4YY -0.05725 0.02205 -0.03645 -0.01471 -0.00731 27 4ZZ -0.12256 0.03801 -0.03412 -0.08643 0.00181 28 4XY -0.18204 0.06155 -0.07181 0.01037 0.05310 29 4XZ -0.05014 0.02634 -0.00657 0.18909 0.13043 30 4YZ -0.11760 0.04146 -0.02535 -0.02079 0.01447 31 3 C 1S -0.01589 0.00524 -0.01155 0.00476 0.01139 32 2S 0.13751 -0.04305 -0.04725 0.08989 0.08404 33 2PX 0.27483 -0.09045 0.11979 0.07069 -0.06367 34 2PY 0.14712 -0.04523 0.02185 0.04895 0.00821 35 2PZ -0.03174 0.00739 -0.00391 -0.06860 -0.02356 36 3S -0.32741 0.10877 0.44497 -0.53721 -0.52647 37 3PX 0.38084 -0.12216 0.01190 0.08262 -0.18309 38 3PY 0.02921 -0.01145 0.21735 -0.18267 -0.27235 39 3PZ -0.01944 0.00032 -0.06752 -0.00390 -0.01692 40 4XX 0.03347 -0.01000 -0.03139 0.00256 0.05576 41 4YY 0.08372 -0.04032 0.13482 -0.19017 -0.19553 42 4ZZ -0.20080 0.07978 -0.12881 0.17796 0.15208 43 4XY -0.16065 0.04743 -0.02834 -0.20066 -0.03951 44 4XZ 0.07059 -0.02563 0.00769 0.05769 -0.00462 45 4YZ 0.10259 -0.04492 -0.03270 -0.07327 -0.06038 46 4 C 1S 0.01084 -0.00429 0.00752 -0.00999 -0.01858 47 2S 0.16259 -0.04085 0.04268 0.10925 -0.13576 48 2PX -0.10055 0.03837 -0.01830 -0.10652 -0.01374 49 2PY -0.02462 0.00821 0.00253 -0.07082 0.00358 50 2PZ -0.00976 0.00491 -0.01429 0.01638 0.00876 51 3S -0.51535 0.17298 -0.26098 -0.05202 0.72207 52 3PX 0.39396 -0.14202 0.40323 -0.01743 -0.10517 53 3PY 0.15432 -0.03274 0.02482 -0.04838 -0.14488 54 3PZ -0.42201 0.14820 -0.13744 0.02364 0.29844 55 4XX 0.13612 -0.05002 0.08614 0.09356 0.01528 56 4YY -0.07141 0.03231 -0.07682 -0.17692 -0.07438 57 4ZZ -0.06327 0.01562 -0.01034 0.08133 0.06673 58 4XY -0.41237 0.11693 -0.14396 -0.23298 0.00528 59 4XZ 0.17433 -0.07843 0.04240 -0.11810 -0.03343 60 4YZ 0.07388 -0.03280 0.04624 -0.22196 -0.17775 61 5 C 1S 0.00875 -0.00521 0.00086 -0.02324 0.00814 62 2S -0.06412 0.03020 0.03290 -0.15012 0.22489 63 2PX 0.04225 -0.01786 0.06162 0.06127 0.05971 64 2PY -0.05605 0.01972 -0.02230 -0.00589 0.03907 65 2PZ 0.02591 -0.02101 -0.00153 -0.01339 0.00036 66 3S -0.00144 0.00824 -0.10931 0.81319 -0.72915 67 3PX -0.53293 0.20662 -0.17248 0.32860 -0.13817 68 3PY -0.04737 0.00031 -0.16295 0.19902 0.08744 69 3PZ 0.02360 0.02687 0.18105 -0.15075 0.12598 70 4XX 0.16372 -0.05581 0.15528 0.25349 -0.12630 71 4YY -0.07558 0.04608 -0.01928 -0.27773 -0.00640 72 4ZZ -0.06993 0.00044 -0.13775 0.02564 0.10887 73 4XY -0.19936 0.06214 -0.25239 -0.07130 -0.07525 74 4XZ 0.18739 -0.05949 0.14237 -0.16968 -0.08421 75 4YZ -0.09122 0.02961 0.00239 -0.26402 -0.06988 76 6 C 1S -0.01650 0.00732 -0.00461 0.01784 -0.01324 77 2S -0.14071 0.08866 0.37979 0.22152 -0.22486 78 2PX -0.08856 0.04609 0.00182 0.08930 -0.01485 79 2PY -0.06285 0.03478 0.02427 0.09384 -0.13356 80 2PZ 0.00043 0.00533 -0.04098 0.03278 0.05743 81 3S 0.52548 -0.24856 -0.60231 -1.06049 0.74181 82 3PX -0.15529 0.00042 -0.80292 -0.53488 0.40648 83 3PY 0.14053 -0.06902 0.59783 1.39725 -0.48716 84 3PZ 0.16215 -0.09518 0.16342 -0.14076 -0.04540 85 4XX 0.15387 -0.05244 -0.02308 -0.11777 0.11445 86 4YY -0.00577 -0.02404 -0.03436 -0.08856 -0.02117 87 4ZZ -0.17714 0.09415 0.05582 0.22901 -0.09453 88 4XY -0.03319 0.01199 0.06844 -0.01015 -0.24207 89 4XZ 0.00571 0.06357 0.11050 -0.02733 -0.02385 90 4YZ -0.00159 -0.07652 0.10516 -0.05731 -0.00854 91 7 C 1S -0.00523 0.00158 -0.01461 0.00462 0.00072 92 2S 0.00562 -0.01052 -0.18828 -0.04040 0.08004 93 2PX 0.11367 -0.06401 -0.11495 -0.16318 0.26037 94 2PY -0.02075 0.00149 -0.04233 0.00830 -0.00451 95 2PZ -0.01701 -0.00934 0.02915 0.02563 -0.04125 96 3S 0.05018 0.04132 1.09664 0.61095 -0.41873 97 3PX -0.34210 0.15435 -0.50610 -1.01083 0.30970 98 3PY -0.12538 0.07604 0.10539 -0.14166 -0.13210 99 3PZ -0.00597 -0.03565 -0.01040 0.27848 -0.01767 100 4XX -0.02090 0.01358 -0.02974 0.14113 -0.09798 101 4YY 0.03543 0.00284 0.17187 -0.19486 0.06568 102 4ZZ -0.06291 0.00386 -0.15494 0.04854 -0.02278 103 4XY -0.16342 0.09504 0.14018 0.12720 -0.11751 104 4XZ 0.08966 -0.01300 -0.05782 0.13448 0.11577 105 4YZ -0.03051 0.02625 -0.17241 0.08086 0.02236 106 8 C 1S 0.00406 -0.00273 -0.01833 -0.01610 0.00738 107 2S 0.09566 -0.05145 -0.19332 -0.19893 0.10658 108 2PX -0.13730 0.06908 0.14900 -0.00630 -0.20888 109 2PY -0.04215 0.01696 0.03768 0.07915 -0.02985 110 2PZ 0.02145 -0.03109 -0.02706 -0.03182 0.03061 111 3S -0.02511 0.00679 0.72365 0.68171 -0.37461 112 3PX 0.02792 0.03260 0.17125 -0.52458 0.43441 113 3PY -0.03064 0.03759 -0.34951 -0.31903 0.08031 114 3PZ 0.09007 0.14303 0.08157 0.00166 -0.13743 115 4XX -0.00858 0.08138 0.17261 0.00745 0.05401 116 4YY -0.12416 -0.01739 0.04074 0.22925 -0.23409 117 4ZZ 0.13415 -0.06667 -0.23083 -0.27427 0.15265 118 4XY -0.02847 -0.00803 -0.00749 0.22448 -0.23546 119 4XZ 0.11711 0.13761 -0.09787 -0.12233 0.04722 120 4YZ -0.03615 -0.24920 -0.09906 0.06610 0.19615 121 9 C 1S 0.00518 -0.00316 -0.00828 -0.01248 -0.00345 122 2S 0.04236 -0.03424 -0.10356 0.00630 -0.21764 123 2PX -0.04187 0.02438 0.12066 -0.02801 0.07419 124 2PY 0.04085 -0.03124 -0.12243 -0.04508 0.03335 125 2PZ -0.01084 -0.02654 -0.00079 0.01603 -0.01499 126 3S -0.42367 0.25232 0.44846 0.41383 0.23432 127 3PX -0.22295 0.06526 0.49345 -0.09913 -0.16847 128 3PY 0.14877 -0.13627 -0.33838 -0.06100 -0.08727 129 3PZ -0.08239 -0.21652 -0.06206 0.12455 0.07680 130 4XX -0.00595 0.08807 0.02152 -0.00188 0.04542 131 4YY 0.03101 0.08879 0.02544 0.01445 0.01725 132 4ZZ -0.03905 -0.17197 -0.06330 0.00237 -0.10901 133 4XY -0.10707 0.16627 0.15431 -0.03332 -0.18415 134 4XZ 0.12896 0.18975 0.00614 -0.18615 -0.08223 135 4YZ 0.15050 0.28819 -0.08305 0.01966 0.02131 136 10 C 1S -0.01442 0.00891 0.03309 -0.00530 0.00646 137 2S -0.16804 0.09250 0.26403 0.03823 -0.01965 138 2PX -0.05662 0.03383 0.08058 0.05375 -0.03045 139 2PY -0.06450 0.03862 0.09339 -0.00637 -0.02224 140 2PZ 0.02688 0.01578 -0.03942 0.01127 0.01767 141 3S 0.45250 -0.27100 -0.80256 -0.07757 -0.05486 142 3PX -0.07888 0.05687 0.23360 0.40954 -0.04658 143 3PY 0.34275 -0.20606 -0.67640 -0.25304 -0.16118 144 3PZ -0.05182 -0.01653 0.07579 -0.05543 0.02762 145 4XX 0.00449 -0.11306 -0.07449 0.01879 -0.04985 146 4YY 0.15401 0.02802 -0.20081 -0.07699 0.12881 147 4ZZ -0.18386 0.10010 0.33676 0.05094 -0.08218 148 4XY 0.09734 -0.03764 -0.23993 0.09820 -0.13887 149 4XZ -0.18752 -0.25161 0.16019 -0.03317 0.00207 150 4YZ 0.07703 0.39322 0.11932 -0.01476 -0.01881 151 11 C 1S -0.00047 0.00041 0.00275 0.00554 -0.00157 152 2S -0.03939 0.02000 0.06568 0.08398 -0.03265 153 2PX 0.01764 0.01368 -0.00318 0.00871 0.01571 154 2PY -0.02763 0.03540 0.08297 -0.01460 0.05945 155 2PZ 0.04357 0.09615 -0.01964 -0.00210 -0.01200 156 3S 0.04039 -0.03076 -0.15649 -0.41354 0.06384 157 3PX -0.07151 0.13033 0.20683 0.18619 0.02953 158 3PY -0.09620 0.13943 0.34346 -0.10194 0.41589 159 3PZ 0.19762 0.37640 -0.13450 0.00102 -0.05911 160 4XX 0.10070 0.07131 -0.06100 -0.12413 0.11943 161 4YY 0.19007 0.06901 -0.44269 0.15481 -0.51547 162 4ZZ -0.28925 -0.14102 0.49964 -0.03497 0.39298 163 4XY 0.00648 0.18668 0.09866 0.03997 0.05413 164 4XZ 0.06623 0.32426 0.07122 0.00791 0.05705 165 4YZ 0.18926 0.60775 0.09271 -0.03744 0.15949 166 12 H 1S -0.12437 0.08415 0.39839 -0.09878 0.43868 167 2S 0.00690 -0.00306 -0.00227 0.01346 0.02504 168 13 H 1S 0.27034 0.40746 -0.25878 0.03649 -0.19792 169 2S -0.00043 -0.02732 -0.01816 0.02937 -0.00425 170 14 H 1S -0.09954 -0.51305 -0.17681 0.03633 -0.20513 171 2S 0.01774 0.01713 -0.01087 0.00354 -0.01252 172 15 O 1S 0.00164 -0.00099 -0.00100 -0.00221 0.00541 173 2S -0.08471 0.04879 0.14730 -0.14156 0.07068 174 2PX -0.07366 0.04096 0.15801 0.02304 -0.01350 175 2PY -0.08059 0.04709 0.16110 -0.06864 0.05705 176 2PZ 0.02128 -0.01779 -0.05498 0.00989 -0.00435 177 3S 0.04952 -0.01997 -0.06084 0.30294 -0.20921 178 3PX 0.04718 -0.01880 -0.11205 -0.10845 0.00929 179 3PY -0.00628 0.01001 0.04188 0.19012 -0.09043 180 3PZ 0.00761 0.02631 0.01761 -0.02412 0.00412 181 4XX -0.01688 0.08216 0.04285 -0.04784 -0.05605 182 4YY -0.06470 -0.00369 0.15102 0.06903 0.02103 183 4ZZ 0.02109 -0.04273 -0.05130 -0.07678 0.10251 184 4XY 0.04928 -0.01591 -0.11162 -0.06109 0.00792 185 4XZ 0.09446 0.19574 -0.01357 -0.02854 0.01864 186 4YZ -0.04153 -0.13132 0.01325 -0.06400 -0.00830 187 16 H 1S 0.14278 -0.07318 -0.15965 -0.01180 0.08684 188 2S 0.05399 -0.02959 -0.15719 0.06349 -0.06844 189 17 H 1S 0.10560 -0.04630 -0.04600 -0.17569 0.23572 190 2S -0.03434 0.02196 0.14154 0.17674 -0.15331 191 18 H 1S -0.09106 0.02779 -0.18946 0.17206 -0.08754 192 2S 0.00732 0.01054 -0.00936 -0.25841 0.03611 193 19 C 1S 0.00751 -0.00369 0.00307 0.01805 -0.00470 194 2S 0.07149 -0.02356 0.10377 0.24248 -0.13075 195 2PX 0.01774 -0.00531 0.01153 -0.00274 0.03514 196 2PY 0.01596 -0.00915 -0.01372 -0.00478 0.03948 197 2PZ -0.01477 0.02184 -0.02581 0.05471 0.02024 198 3S -0.38347 0.16799 -0.41249 -1.10631 0.33363 199 3PX 0.16562 -0.04393 0.14358 0.14424 0.23758 200 3PY 0.11752 -0.02079 0.35049 0.65230 -0.25136 201 3PZ -0.18568 0.13760 -0.26352 0.11255 0.11155 202 4XX 0.18333 -0.08367 0.30716 0.03604 0.09907 203 4YY 0.04808 -0.05653 -0.28143 -0.16935 0.28351 204 4ZZ -0.23352 0.13998 -0.02362 0.14135 -0.37724 205 4XY 0.07975 -0.05337 0.10987 0.05046 0.08197 206 4XZ 0.04775 -0.11333 0.17831 -0.43552 -0.33455 207 4YZ -0.08739 0.00062 -0.00804 0.21158 -0.02974 208 20 H 1S -0.15860 0.06069 -0.12912 -0.03526 -0.27837 209 2S 0.03315 -0.02796 -0.09089 -0.15231 0.13989 210 21 H 1S 0.04426 0.03181 -0.16234 0.31842 0.34169 211 2S -0.01767 0.00626 0.00324 0.03289 -0.05587 212 22 H 1S 0.20973 -0.15083 0.14394 -0.25408 0.03252 213 2S 0.06174 -0.02089 0.04972 0.07496 -0.00190 214 23 H 1S 0.02206 -0.00278 -0.02113 -0.07215 -0.02883 215 2S -0.12750 0.03165 -0.06108 -0.00405 0.03596 216 24 H 1S -0.02976 -0.01239 -0.08595 -0.00075 0.02632 217 2S 0.04232 -0.01567 -0.03538 0.01796 0.11598 218 25 H 1S -0.08564 0.02234 -0.08540 -0.09134 0.02576 219 2S -0.13852 0.05674 -0.06572 0.07441 -0.00667 220 26 H 1S -0.05863 0.00015 0.05224 -0.05677 -0.08736 221 2S -0.01784 0.01481 0.02809 0.06308 0.11165 222 27 H 1S -0.07212 0.02706 -0.08435 0.02344 0.09370 223 2S -0.01457 0.00304 0.04962 -0.05514 -0.07539 224 28 C 1S -0.00723 0.00207 -0.00271 -0.00711 -0.00036 225 2S -0.17456 0.05234 -0.04017 -0.12795 -0.00563 226 2PX 0.00724 -0.00153 0.01047 0.00298 -0.00321 227 2PY 0.04896 -0.01690 0.02025 -0.00034 -0.00867 228 2PZ -0.00825 0.00126 -0.00797 -0.01462 0.02055 229 3S 0.57572 -0.16537 0.14563 0.44729 -0.00715 230 3PX 0.22497 -0.06611 0.14346 0.12885 -0.05464 231 3PY -0.32580 0.10394 -0.04873 -0.22078 0.04395 232 3PZ 0.14446 -0.04948 0.02815 0.07281 0.05693 233 4XX 0.07004 -0.02157 0.09511 -0.00345 -0.04730 234 4YY 0.17975 -0.05586 0.01945 0.12606 -0.01160 235 4ZZ -0.26049 0.08087 -0.11927 -0.11978 0.06127 236 4XY -0.14779 0.04647 0.02344 -0.10414 -0.08397 237 4XZ -0.08737 0.03757 -0.04801 0.09870 -0.07997 238 4YZ -0.15100 0.04467 -0.05454 -0.17370 0.01134 239 29 H 1S -0.10199 0.03340 -0.10867 -0.02202 0.07415 240 2S 0.09130 -0.03973 0.04051 -0.00719 -0.07339 241 30 H 1S 0.16025 -0.05729 0.05594 0.00203 0.04292 242 2S -0.01301 0.00534 0.01771 0.01281 -0.00593 243 31 H 1S 0.03639 -0.00524 0.02679 0.10368 -0.08384 244 2S -0.02459 0.00452 0.00426 -0.06423 -0.01908 245 32 H 1S -0.02914 0.01625 -0.07952 0.07096 0.04977 246 2S 0.12929 -0.04091 0.03508 0.04555 -0.00563 247 33 H 1S 0.11168 -0.04561 0.04227 -0.10366 -0.16351 248 2S 0.01347 -0.00304 0.01781 -0.00055 -0.01400 249 34 H 1S -0.06205 0.02705 -0.01213 0.07577 0.16962 250 2S 0.00228 -0.00086 0.01611 -0.00689 -0.00179 206 207 208 209 210 V V V V V Eigenvalues -- 2.22553 2.26955 2.27836 2.29946 2.30528 1 1 C 1S -0.00069 0.00414 -0.01218 -0.01476 0.00205 2 2S -0.01117 0.05488 -0.00470 -0.11913 0.04582 3 2PX -0.00521 -0.00830 -0.00040 0.01581 -0.01074 4 2PY -0.01938 -0.00904 0.06352 0.03751 -0.00020 5 2PZ -0.07940 0.00457 -0.01703 -0.02377 -0.00579 6 3S 0.05156 -0.17028 0.53690 0.62538 0.04181 7 3PX -0.01827 -0.11296 -0.09932 0.16541 -0.14803 8 3PY -0.06172 -0.07912 0.27049 0.25185 -0.00532 9 3PZ -0.34117 -0.00972 -0.03992 -0.11720 -0.00963 10 4XX 0.10952 -0.05699 0.10710 0.16032 -0.03357 11 4YY -0.01932 -0.04386 -0.59509 -0.22357 -0.23046 12 4ZZ -0.08927 0.09606 0.44802 0.05536 0.25155 13 4XY 0.21587 -0.12752 0.30823 0.33492 -0.07083 14 4XZ 0.69275 0.04994 -0.03746 -0.02179 0.05836 15 4YZ -0.05993 0.00445 0.36188 0.02667 0.11247 16 2 C 1S 0.00139 -0.00721 0.01146 0.01165 -0.00937 17 2S -0.01834 0.03915 0.19476 -0.03728 0.05121 18 2PX -0.00697 0.00751 0.01785 -0.05062 -0.05422 19 2PY -0.01466 -0.09106 -0.08055 0.11974 -0.12830 20 2PZ -0.08335 0.02314 0.02334 -0.03078 0.03669 21 3S 0.01825 0.22149 -0.84036 -0.40542 -0.05458 22 3PX 0.06171 0.05662 -0.78841 -0.16836 -0.17106 23 3PY 0.10359 -0.11144 1.24476 0.68544 0.37352 24 3PZ 0.21895 -0.00791 -0.26037 -0.18144 -0.09210 25 4XX 0.00532 0.02159 -0.13408 -0.09489 -0.02853 26 4YY -0.00337 0.02563 0.03281 -0.00675 0.07018 27 4ZZ -0.00486 -0.02252 0.11793 0.05728 -0.02396 28 4XY 0.02169 -0.03578 0.08292 -0.01718 -0.00886 29 4XZ 0.06976 -0.12159 0.09964 -0.06466 -0.15719 30 4YZ -0.00034 -0.00471 0.00753 0.06290 0.00636 31 3 C 1S 0.00224 -0.01039 -0.00029 0.00018 -0.01388 32 2S 0.02681 -0.04805 0.01864 0.02413 -0.02808 33 2PX -0.01117 0.08223 -0.07749 -0.13859 0.05766 34 2PY 0.00488 0.00988 0.05142 0.01291 0.03468 35 2PZ -0.00179 0.00000 -0.02557 0.04061 0.01730 36 3S -0.12519 0.24408 0.57877 0.18389 0.43895 37 3PX -0.02938 0.27759 -1.05047 -0.35718 -0.25596 38 3PY -0.10091 0.03255 -0.94414 -0.22664 -0.16624 39 3PZ -0.08558 0.10049 0.29814 0.14099 0.10031 40 4XX 0.01538 -0.10925 -0.05606 0.19936 -0.09425 41 4YY -0.05538 0.20506 0.10063 -0.21502 0.26150 42 4ZZ 0.03910 -0.11091 -0.00119 -0.01045 -0.17749 43 4XY -0.00854 -0.02606 -0.01835 0.06771 -0.05312 44 4XZ 0.01756 -0.00876 0.04810 -0.04202 -0.07457 45 4YZ -0.03788 -0.01295 -0.06807 0.19388 -0.10981 46 4 C 1S -0.00419 0.01148 -0.01670 0.00729 -0.00402 47 2S -0.03701 0.15591 -0.07922 -0.01760 -0.10102 48 2PX -0.00448 0.02116 -0.01343 -0.07109 -0.03658 49 2PY -0.00795 -0.04022 -0.00736 0.07240 -0.00411 50 2PZ -0.00469 0.00705 0.00913 -0.01442 0.01009 51 3S 0.17819 -0.57916 1.09355 -0.00363 0.43997 52 3PX -0.02975 -0.02773 -0.43215 -0.20754 0.49982 53 3PY 0.03261 0.16469 -0.17788 -0.23266 -0.18071 54 3PZ 0.10942 -0.26584 0.24287 -0.07748 -0.01081 55 4XX -0.00308 -0.07242 -0.07147 0.17663 -0.11589 56 4YY -0.01365 -0.01246 0.11881 0.20655 -0.07778 57 4ZZ 0.02089 0.06792 -0.05979 -0.37809 0.20370 58 4XY 0.00191 -0.00841 0.04607 0.03826 0.07469 59 4XZ -0.00967 -0.06711 0.04780 0.19591 0.01856 60 4YZ -0.03745 0.22108 -0.16608 -0.26003 0.22559 61 5 C 1S 0.00113 -0.01091 0.00566 -0.01016 0.01314 62 2S 0.05159 -0.26950 0.09094 -0.09567 0.02827 63 2PX 0.01892 -0.05077 -0.01140 -0.04199 0.08468 64 2PY 0.01712 -0.01897 0.00404 -0.01287 0.01396 65 2PZ 0.00224 -0.00272 -0.00259 -0.00663 0.03543 66 3S -0.19169 0.90533 -0.63276 0.63932 -0.14259 67 3PX -0.01833 0.31702 0.07074 -0.11331 -0.27141 68 3PY -0.01098 0.04450 -0.28246 0.33828 0.39983 69 3PZ 0.01868 -0.27850 -0.01768 -0.02043 0.36785 70 4XX -0.02745 0.08302 -0.06577 0.28629 -0.01292 71 4YY 0.00058 0.06937 0.17112 -0.42603 -0.12025 72 4ZZ 0.01791 -0.10364 -0.11209 0.11345 0.14636 73 4XY 0.01389 0.25713 -0.02265 -0.00483 0.02649 74 4XZ -0.02121 0.03229 0.13354 -0.15630 -0.16733 75 4YZ -0.00936 -0.08452 -0.25170 0.29691 0.37318 76 6 C 1S -0.00125 0.02198 -0.00372 -0.00303 -0.00350 77 2S -0.05135 -0.05925 -0.09630 -0.08217 0.09237 78 2PX 0.00322 0.05717 0.03505 -0.03653 -0.07319 79 2PY -0.02127 0.07258 0.01890 -0.00490 -0.02025 80 2PZ 0.00808 -0.02752 0.00516 -0.01805 0.01538 81 3S 0.15017 -0.65131 0.41227 0.06716 -0.07721 82 3PX 0.09872 0.29213 -0.12227 -0.20695 0.25898 83 3PY -0.13946 -0.04069 -0.59559 1.21316 0.07831 84 3PZ 0.00233 -0.00079 0.09482 -0.21777 -0.11935 85 4XX 0.02392 0.02037 0.01523 -0.05791 0.01472 86 4YY -0.00925 -0.05631 0.00026 0.01136 0.06485 87 4ZZ -0.01483 0.01902 0.00416 0.05953 -0.11389 88 4XY -0.05720 0.03654 -0.05092 0.13717 0.07066 89 4XZ -0.00355 -0.02193 0.03849 -0.11390 -0.00436 90 4YZ 0.00009 -0.00837 -0.07086 -0.01894 0.28821 91 7 C 1S 0.00149 0.02761 -0.00346 0.01123 -0.00397 92 2S 0.02328 0.12939 -0.02282 0.12263 0.00641 93 2PX 0.05547 -0.06131 0.01600 -0.09404 0.05454 94 2PY -0.00103 -0.02141 -0.01379 0.05245 0.02286 95 2PZ -0.00880 0.00719 -0.00566 0.02506 0.01355 96 3S -0.12596 -0.53921 0.15165 -0.34799 -0.37345 97 3PX 0.07595 -0.17482 0.63725 -1.12093 -0.43882 98 3PY -0.01446 0.14407 0.32640 -0.70683 -0.33449 99 3PZ -0.01091 0.02196 -0.16283 0.32509 0.13878 100 4XX -0.01511 0.06364 0.02182 -0.06748 -0.03419 101 4YY -0.01101 -0.41688 0.03696 -0.05077 0.07045 102 4ZZ 0.01418 0.37739 -0.05445 0.12370 -0.05935 103 4XY -0.02783 -0.15779 0.03022 -0.09721 -0.00470 104 4XZ 0.02726 0.08624 0.06274 -0.10436 -0.10072 105 4YZ 0.01143 0.18015 -0.03558 0.11999 0.02056 106 8 C 1S 0.00130 -0.01013 0.00733 -0.01573 -0.00219 107 2S 0.01724 -0.05051 0.06667 -0.09746 -0.05518 108 2PX -0.05726 -0.32068 0.06536 -0.16614 0.00158 109 2PY -0.00151 0.05216 -0.02675 0.03566 0.02333 110 2PZ 0.00854 0.05476 -0.02460 0.03440 0.04075 111 3S -0.12440 -0.76052 -0.54097 0.90165 0.61783 112 3PX 0.07066 -0.53163 0.27772 -0.66621 -0.14498 113 3PY 0.03976 0.41546 0.25116 -0.32807 -0.32178 114 3PZ -0.02748 0.02407 -0.12159 0.22810 0.15473 115 4XX 0.01055 -0.03474 -0.00066 -0.05088 0.06084 116 4YY -0.04677 0.10606 -0.03032 0.10737 -0.04596 117 4ZZ 0.02503 -0.17506 0.04046 -0.07806 0.00178 118 4XY -0.04683 0.12018 -0.06555 0.16732 0.01929 119 4XZ 0.00769 -0.04457 -0.02841 -0.00863 0.24126 120 4YZ 0.03689 -0.07936 0.10148 -0.16648 -0.15804 121 9 C 1S -0.00228 -0.03301 0.00597 -0.01548 0.00103 122 2S -0.06202 -0.34711 0.00425 -0.02458 0.06072 123 2PX 0.01425 -0.04994 0.02769 -0.08193 -0.02234 124 2PY 0.00853 0.04328 0.00569 0.00206 -0.01318 125 2PZ -0.00325 0.00047 0.00441 0.00928 -0.04106 126 3S 0.13936 2.02462 -0.14893 0.62334 -0.28909 127 3PX -0.08757 -1.08182 0.03280 -0.18834 0.17325 128 3PY -0.03837 -0.56865 -0.00335 -0.11488 0.17003 129 3PZ 0.02820 0.28587 0.02142 0.00749 -0.13822 130 4XX 0.01928 0.12415 -0.03840 0.03175 0.08062 131 4YY 0.00571 0.11690 -0.03309 0.11678 -0.00686 132 4ZZ -0.03427 -0.21643 0.07074 -0.13590 -0.08501 133 4XY -0.05452 -0.35424 0.03608 -0.09848 0.04700 134 4XZ -0.01796 -0.01142 -0.07188 0.06946 0.25137 135 4YZ 0.00474 0.00216 0.03246 -0.03634 -0.08577 136 10 C 1S 0.00072 -0.01624 0.00562 -0.01526 -0.00225 137 2S -0.00429 -0.02478 0.01692 -0.04529 -0.01761 138 2PX -0.00473 0.06101 -0.02599 0.06786 -0.00128 139 2PY -0.00986 -0.14310 0.03034 -0.08405 -0.00986 140 2PZ 0.00405 0.00984 0.01410 -0.00997 -0.05604 141 3S -0.02565 -0.25474 -0.13590 0.27179 0.23309 142 3PX 0.03092 1.04300 -0.21309 0.64347 -0.05218 143 3PY -0.06449 -0.81463 0.13936 -0.42248 0.07230 144 3PZ 0.00328 -0.06726 0.01748 -0.04490 -0.00246 145 4XX -0.00950 0.03891 -0.01895 0.04861 0.00348 146 4YY 0.03222 0.11472 -0.00886 0.02066 0.02457 147 4ZZ -0.02621 -0.22597 0.03919 -0.10836 -0.02332 148 4XY -0.02290 0.12489 -0.03986 0.09809 0.01788 149 4XZ -0.00258 -0.07680 0.00491 -0.03002 0.00222 150 4YZ -0.00787 -0.08596 -0.00007 -0.02755 0.09577 151 11 C 1S 0.00004 0.01394 -0.00529 0.01514 0.00168 152 2S -0.00329 0.09950 -0.05090 0.13038 0.02346 153 2PX 0.00557 0.06924 -0.01492 0.04503 -0.00332 154 2PY 0.01355 0.02431 -0.00084 0.00117 -0.00280 155 2PZ -0.00308 -0.01656 0.00557 -0.00692 -0.01861 156 3S -0.01959 -0.92546 0.28650 -0.79750 -0.05442 157 3PX 0.02348 0.48098 -0.13156 0.37128 0.00474 158 3PY 0.10265 0.33817 0.00844 -0.01133 -0.06284 159 3PZ -0.01808 -0.13683 0.03882 -0.07222 -0.07592 160 4XX 0.02143 -0.12038 0.06722 -0.15386 -0.07437 161 4YY -0.12228 -0.30609 -0.00145 0.02016 0.00068 162 4ZZ 0.10012 0.43255 -0.06527 0.13680 0.07148 163 4XY 0.01717 0.13696 -0.02770 0.08387 -0.03942 164 4XZ 0.01566 0.09670 0.00352 0.05560 -0.16678 165 4YZ 0.03798 0.10706 0.01737 0.00599 -0.12711 166 12 H 1S 0.10678 0.33985 -0.01771 0.04770 -0.02411 167 2S 0.00875 0.08514 -0.01327 0.03788 -0.00462 168 13 H 1S -0.04939 -0.17438 0.02797 -0.01676 -0.11377 169 2S -0.00021 0.01555 -0.00875 0.01517 0.01781 170 14 H 1S -0.05064 -0.17035 -0.01096 -0.02039 0.14135 171 2S -0.00181 0.01342 -0.01026 0.02807 -0.00515 172 15 O 1S 0.00127 0.00485 -0.00101 0.00228 0.00012 173 2S 0.00416 -0.23952 0.05978 -0.14664 0.00732 174 2PX -0.00597 -0.05931 0.00038 -0.00875 0.00118 175 2PY 0.00614 -0.13682 0.03663 -0.09353 -0.00239 176 2PZ 0.00042 0.03093 -0.00289 0.01464 -0.00791 177 3S -0.02694 0.35341 -0.07236 0.19111 -0.04132 178 3PX -0.00261 -0.14750 0.06008 -0.15110 -0.00130 179 3PY -0.00650 0.31473 -0.08287 0.21629 -0.00348 180 3PZ -0.00001 -0.01908 -0.01266 0.00447 0.05439 181 4XX -0.02273 -0.27868 0.04488 -0.15207 0.03615 182 4YY 0.01163 0.20429 -0.06956 0.16788 0.03535 183 4ZZ 0.02163 0.01242 0.03903 -0.05499 -0.07078 184 4XY 0.00112 -0.01888 0.00968 -0.02237 0.02185 185 4XZ 0.00624 0.06720 -0.03030 0.04509 0.10694 186 4YZ -0.00244 -0.02613 -0.01243 -0.00684 0.06949 187 16 H 1S 0.02710 0.21862 -0.00533 0.02896 -0.04301 188 2S -0.00533 0.20943 -0.00532 0.05133 -0.05588 189 17 H 1S 0.04438 -0.14174 0.03872 -0.12195 0.02132 190 2S -0.03681 -0.01239 -0.09811 0.16515 0.08380 191 18 H 1S 0.00643 0.40228 0.00371 -0.01324 -0.10191 192 2S 0.00623 -0.03460 0.12389 -0.26296 -0.04247 193 19 C 1S -0.00183 -0.00422 -0.00775 0.02069 0.00149 194 2S -0.03151 0.00014 -0.07494 0.18551 -0.01122 195 2PX 0.00802 -0.02151 0.00249 -0.00185 0.01387 196 2PY 0.00596 -0.05148 0.00572 0.01955 0.00107 197 2PZ 0.00363 0.00107 -0.01459 -0.03180 0.05941 198 3S 0.10826 0.22680 0.39816 -1.13600 0.02283 199 3PX 0.04800 -0.22263 -0.02763 0.18745 0.06381 200 3PY -0.07198 -0.14625 -0.21936 0.59837 0.06468 201 3PZ 0.02574 0.03788 0.03427 -0.19341 0.09681 202 4XX 0.01599 -0.25171 -0.01024 0.23872 -0.05995 203 4YY 0.06687 0.05613 -0.02101 -0.03797 0.12689 204 4ZZ -0.08282 0.19400 0.02022 -0.18467 -0.05198 205 4XY 0.01799 -0.17827 -0.09229 0.30910 0.12530 206 4XZ -0.06842 0.16467 0.10479 0.12627 -0.50087 207 4YZ -0.00968 0.01747 -0.07479 -0.18353 0.35944 208 20 H 1S -0.05882 0.27155 0.04938 -0.21933 -0.11554 209 2S 0.02906 -0.08292 0.04013 -0.09277 -0.00354 210 21 H 1S 0.06862 -0.15928 -0.11257 0.02459 0.39229 211 2S -0.00963 0.03436 0.03669 0.03248 -0.14198 212 22 H 1S 0.00804 -0.07117 0.00821 0.33040 -0.26574 213 2S -0.00284 -0.01773 -0.02113 -0.01666 0.06546 214 23 H 1S -0.00118 0.14369 0.24802 -0.34118 -0.29006 215 2S 0.02877 -0.00987 0.05281 -0.01544 -0.14686 216 24 H 1S 0.00799 -0.05935 -0.20183 0.35169 0.30564 217 2S 0.02137 -0.08419 0.05266 -0.04844 -0.02298 218 25 H 1S 0.01291 -0.10908 0.08217 0.28393 -0.16366 219 2S 0.01818 0.05555 0.01273 -0.12011 -0.14343 220 26 H 1S -0.02438 0.14046 -0.14748 -0.23641 0.16236 221 2S -0.00981 -0.18475 -0.01326 0.23177 0.01692 222 27 H 1S 0.01647 -0.16758 -0.21875 0.13469 -0.24817 223 2S -0.02220 0.01120 -0.22246 -0.08681 0.02424 224 28 C 1S 0.00013 -0.00047 0.01601 0.01146 0.00632 225 2S 0.00421 -0.00872 0.11188 0.07943 0.01813 226 2PX -0.00792 0.00631 0.03271 -0.00619 -0.00176 227 2PY -0.02496 0.01715 0.04175 0.00222 0.03494 228 2PZ -0.08091 -0.00578 -0.00953 0.00529 -0.00971 229 3S -0.01837 0.00444 -0.96261 -0.50288 -0.35692 230 3PX -0.04641 0.06843 0.20960 -0.08199 0.07466 231 3PY -0.10134 -0.05652 0.57555 0.32095 0.11854 232 3PZ -0.39337 0.03537 -0.16740 -0.06024 -0.07757 233 4XX 0.08890 0.01340 0.12657 0.00516 0.05079 234 4YY -0.08126 0.09116 0.21293 -0.01639 0.12333 235 4ZZ -0.00858 -0.10854 -0.31092 0.03407 -0.16360 236 4XY 0.17454 0.04616 0.41357 0.07749 0.16471 237 4XZ 0.77097 -0.07414 -0.15297 -0.09464 -0.05563 238 4YZ -0.17066 -0.01992 -0.24687 0.06910 -0.03947 239 29 H 1S 0.01960 -0.09849 -0.42019 -0.00611 -0.17355 240 2S -0.00790 0.10543 -0.02471 -0.11050 0.09290 241 30 H 1S -0.48899 0.08052 0.25962 0.06881 0.09729 242 2S 0.00906 0.00181 -0.01021 -0.02368 -0.01574 243 31 H 1S 0.48120 0.02116 0.26068 -0.02322 0.10923 244 2S -0.01127 0.00700 -0.01407 0.00613 0.01945 245 32 H 1S 0.01166 -0.01670 0.52642 0.22549 0.13008 246 2S -0.00037 0.01580 -0.15706 -0.08039 -0.04338 247 33 H 1S 0.43292 -0.01341 -0.33453 -0.04244 -0.11498 248 2S -0.01983 0.02107 0.03555 -0.01045 0.01638 249 34 H 1S -0.43308 -0.03763 -0.32360 -0.14586 -0.14493 250 2S 0.01176 -0.00767 0.05547 0.01245 0.01002 211 212 213 214 215 V V V V V Eigenvalues -- 2.34355 2.35753 2.38065 2.38827 2.41765 1 1 C 1S 0.00155 0.01709 0.02866 -0.02968 0.00669 2 2S 0.00362 0.10914 0.15823 -0.15330 0.05130 3 2PX -0.00874 -0.03477 -0.06362 0.06389 -0.00326 4 2PY -0.00523 -0.03792 -0.05810 0.05070 0.00429 5 2PZ 0.01078 -0.01016 0.02516 -0.03818 0.02417 6 3S 0.11149 -0.92031 -1.29820 1.19030 -0.30963 7 3PX -0.06700 -0.20071 -0.35828 0.39193 -0.08368 8 3PY 0.05015 -0.46080 -0.59695 0.55077 -0.12233 9 3PZ -0.01110 0.12826 0.20891 -0.21121 0.09769 10 4XX -0.05589 0.04571 -0.01453 0.03052 -0.01046 11 4YY -0.06304 -0.09097 -0.13201 0.21907 -0.09106 12 4ZZ 0.11746 0.06335 0.17845 -0.28635 0.10902 13 4XY -0.08702 -0.12269 -0.29248 0.31508 -0.07891 14 4XZ -0.04279 0.22042 0.09512 0.04487 -0.26710 15 4YZ 0.02850 0.09274 0.16569 -0.18985 0.04693 16 2 C 1S -0.00959 0.00097 -0.00617 0.00870 0.00222 17 2S -0.05019 0.21678 0.21240 -0.14396 0.02484 18 2PX -0.02794 -0.10008 -0.14335 0.19371 -0.05754 19 2PY -0.09541 0.03177 -0.05149 0.10249 0.00237 20 2PZ 0.02649 -0.00047 0.03385 -0.05226 0.01734 21 3S 0.31010 -0.89425 -0.81615 0.84509 -0.43237 22 3PX 0.31917 -1.47471 -1.61170 1.51688 -0.53764 23 3PY 0.13061 -0.49406 -0.80545 0.65807 -0.09799 24 3PZ -0.09837 0.29945 0.35293 -0.26963 0.08619 25 4XX 0.05151 -0.18785 -0.14504 0.10912 -0.01944 26 4YY 0.00755 0.12516 0.07632 -0.00796 -0.14041 27 4ZZ -0.04174 0.00230 -0.00924 -0.00806 0.11388 28 4XY -0.01978 0.09676 0.15648 -0.14076 0.03006 29 4XZ -0.11560 0.02251 0.06124 0.00533 0.10736 30 4YZ -0.04548 0.07264 -0.06869 0.15984 -0.22437 31 3 C 1S -0.00307 -0.02745 -0.03359 0.03283 -0.00449 32 2S 0.02938 -0.24991 -0.32284 0.29347 -0.05835 33 2PX 0.07677 -0.13329 -0.11690 0.09928 -0.04926 34 2PY 0.01086 -0.01107 -0.03448 0.04243 -0.01856 35 2PZ -0.00328 0.03306 -0.00128 0.00662 -0.01964 36 3S -0.22022 1.90875 2.21128 -1.99286 0.44308 37 3PX 0.11442 -0.58480 -0.53388 0.78070 -0.50769 38 3PY -0.10687 0.68920 0.83029 -0.72613 0.06905 39 3PZ 0.10876 -0.24126 -0.17892 0.04922 -0.02135 40 4XX -0.08400 0.12657 0.10686 -0.13082 0.11481 41 4YY 0.10171 0.17539 0.21695 -0.17110 -0.03461 42 4ZZ -0.04937 -0.22152 -0.24469 0.25695 -0.07025 43 4XY -0.05093 -0.04678 -0.16359 0.25013 -0.07221 44 4XZ -0.05400 -0.00564 0.06633 -0.05446 0.11726 45 4YZ -0.06107 -0.07552 -0.15652 0.12658 0.02238 46 4 C 1S 0.00341 0.00078 0.01754 -0.01907 0.00147 47 2S 0.05485 -0.04520 0.12931 -0.11296 -0.08050 48 2PX -0.05501 0.10050 0.03996 0.04168 -0.01334 49 2PY -0.02803 0.08491 0.00816 0.00433 -0.01604 50 2PZ 0.00602 0.00939 -0.03108 0.04088 -0.03832 51 3S -0.17846 -0.11359 -1.05717 0.95626 0.19290 52 3PX 0.21621 0.24349 0.05969 -0.08365 -0.14955 53 3PY -0.23201 0.26099 0.18218 0.20895 -0.09113 54 3PZ -0.24204 0.38026 -0.00854 0.16400 0.07417 55 4XX -0.07714 -0.10943 -0.21317 0.16231 0.02225 56 4YY -0.14016 0.25376 0.24941 -0.16629 0.05538 57 4ZZ 0.20929 -0.14384 -0.03440 -0.02114 -0.03491 58 4XY 0.03861 0.00479 -0.02193 0.01008 -0.01646 59 4XZ -0.21284 0.45379 0.02108 0.17169 -0.07130 60 4YZ 0.22358 -0.24353 -0.13053 0.06608 -0.05756 61 5 C 1S -0.01604 0.03539 -0.01614 0.03250 0.00446 62 2S -0.13769 0.18879 -0.05723 0.09617 0.13670 63 2PX 0.04043 -0.01032 -0.07572 0.02014 -0.03233 64 2PY 0.00561 0.01376 0.00679 -0.00467 -0.01666 65 2PZ -0.00680 0.06950 -0.01601 0.06327 -0.03145 66 3S 0.90719 -1.32172 0.55794 -1.16624 -0.59799 67 3PX -0.09496 -0.02867 0.26505 -0.20701 -0.10325 68 3PY 0.57644 -0.49111 0.04727 -0.39235 -0.29780 69 3PZ -0.06943 0.34810 -0.30864 0.36905 -0.07306 70 4XX -0.05248 0.06083 -0.12340 -0.02650 -0.05100 71 4YY -0.13373 0.03767 0.08787 0.28621 -0.02490 72 4ZZ 0.18734 -0.06946 0.01610 -0.22309 0.04936 73 4XY 0.13114 -0.21276 0.05490 -0.16059 -0.07772 74 4XZ -0.17804 -0.00946 0.08615 0.11325 0.13800 75 4YZ 0.23871 0.08574 -0.08043 -0.05587 -0.18735 76 6 C 1S 0.00765 -0.00815 0.01082 -0.02323 0.00119 77 2S 0.02999 0.06459 -0.02371 -0.03460 0.00218 78 2PX 0.01407 -0.11724 0.09674 0.01531 -0.01948 79 2PY -0.05117 0.04876 -0.11130 -0.00456 -0.04313 80 2PZ -0.00709 0.03532 0.01845 0.00325 -0.02383 81 3S 0.00820 -0.50176 0.47155 1.08986 -0.24766 82 3PX 0.88995 -1.30582 0.89063 -0.14996 -0.62019 83 3PY 0.19839 0.03939 -0.38611 -0.86567 -0.28078 84 3PZ -0.13708 0.19598 -0.03237 0.12036 0.13015 85 4XX 0.00349 0.03263 0.07833 0.14766 -0.08303 86 4YY -0.01249 0.01336 -0.07660 0.05734 -0.00411 87 4ZZ 0.04688 -0.13852 0.09228 -0.23184 0.07325 88 4XY -0.01267 0.11520 -0.02438 0.04919 -0.02827 89 4XZ 0.01799 0.17392 0.07076 0.10184 -0.33520 90 4YZ -0.03053 0.11429 -0.08951 0.13697 0.15293 91 7 C 1S 0.00634 -0.01569 0.01181 -0.00297 -0.00883 92 2S 0.08952 -0.13842 0.07531 -0.05691 -0.11856 93 2PX 0.03271 -0.06049 -0.02512 0.05004 -0.00230 94 2PY 0.02002 -0.01409 -0.03110 -0.04645 -0.01199 95 2PZ -0.04132 0.00092 -0.00894 0.00413 0.07740 96 3S -0.84176 1.23594 -0.54776 0.09842 0.80137 97 3PX -0.00918 -0.70752 1.14507 0.90571 0.01796 98 3PY -0.60748 0.66319 -0.41314 0.14228 0.39673 99 3PZ 0.05644 -0.04159 -0.15114 -0.22517 0.01770 100 4XX -0.09478 0.09529 -0.16402 -0.07391 -0.07434 101 4YY -0.01132 -0.01543 0.10860 0.06697 0.15253 102 4ZZ 0.09071 -0.06652 0.04346 -0.01610 -0.07028 103 4XY 0.04202 -0.21293 0.09346 0.00914 -0.06733 104 4XZ -0.11612 0.02695 0.15609 0.05422 -0.17910 105 4YZ -0.15455 -0.14294 -0.06006 -0.09527 0.23333 106 8 C 1S 0.00268 -0.01063 0.01379 0.01516 -0.00132 107 2S -0.01186 -0.04713 0.20764 0.18509 0.04406 108 2PX -0.01178 -0.01644 -0.01484 0.02693 0.01895 109 2PY 0.01174 -0.01316 -0.05115 -0.04188 -0.02341 110 2PZ -0.01994 -0.00457 -0.00234 0.00547 0.05096 111 3S 0.40050 0.15294 -1.15352 -1.47000 -0.32519 112 3PX -0.16380 0.10208 -0.00807 -0.04554 0.19680 113 3PY -0.17528 -0.14856 0.69335 0.76447 0.16785 114 3PZ 0.00463 -0.00938 -0.13164 -0.09706 -0.02273 115 4XX -0.12298 -0.07858 0.05461 0.01847 0.13018 116 4YY -0.03150 0.15594 -0.18431 -0.14150 -0.03232 117 4ZZ 0.17449 -0.09347 0.14974 0.12900 -0.09700 118 4XY -0.01384 -0.03024 0.11853 0.05118 0.02991 119 4XZ -0.37063 -0.19187 -0.01136 0.01943 0.33072 120 4YZ 0.12494 0.02834 0.09045 0.05790 -0.13254 121 9 C 1S -0.00461 0.01058 -0.04147 -0.03574 -0.00642 122 2S 0.02431 0.03893 -0.26460 -0.28501 -0.06964 123 2PX 0.00210 0.00648 -0.00532 0.00175 0.00849 124 2PY -0.00186 0.02730 -0.04994 -0.01206 -0.01301 125 2PZ 0.08707 0.03976 0.00353 0.01216 -0.03470 126 3S 0.03219 -0.46136 2.18313 2.09504 0.37539 127 3PX 0.15806 0.00730 -0.34651 -0.52214 -0.06056 128 3PY 0.06648 0.09816 -1.06760 -0.90848 -0.34421 129 3PZ 0.07535 0.04476 0.22662 0.24967 0.06048 130 4XX -0.07092 -0.10847 -0.00567 0.00709 0.03977 131 4YY 0.03046 -0.07399 0.33915 0.23671 -0.01867 132 4ZZ 0.03427 0.18303 -0.31847 -0.22478 -0.02030 133 4XY 0.02076 -0.17039 0.24775 0.15766 0.00055 134 4XZ -0.32223 -0.07046 -0.15370 -0.08471 0.26840 135 4YZ -0.07350 -0.00307 -0.07812 -0.20960 -0.35905 136 10 C 1S -0.00208 0.00044 -0.01547 -0.01977 -0.00473 137 2S 0.00208 -0.02998 0.04098 0.02069 -0.00110 138 2PX 0.04240 -0.03679 0.21180 0.18355 0.03715 139 2PY 0.01108 -0.00329 -0.10384 -0.10955 -0.04691 140 2PZ 0.07059 0.04092 -0.01378 -0.01954 -0.08743 141 3S 0.15631 -0.00397 -0.17652 -0.08848 -0.05977 142 3PX 0.14001 -0.31967 1.70693 1.48161 0.33852 143 3PY -0.10168 0.22843 -1.35785 -1.14169 -0.35192 144 3PZ -0.05334 -0.00989 -0.07079 -0.12405 -0.14902 145 4XX 0.07081 0.01657 0.12121 0.18621 0.17990 146 4YY -0.11468 0.02129 -0.15991 -0.12868 -0.05207 147 4ZZ 0.04223 -0.03276 -0.02647 -0.12615 -0.14517 148 4XY -0.02920 0.00051 -0.01144 -0.00680 0.03418 149 4XZ 0.18808 0.12500 -0.15453 0.05563 0.41216 150 4YZ -0.29354 -0.20242 0.09208 -0.08667 -0.10504 151 11 C 1S 0.00602 -0.00854 0.04339 0.03824 0.01023 152 2S 0.05937 -0.07711 0.29048 0.22497 0.05002 153 2PX 0.01730 -0.01143 0.11948 0.12047 0.03676 154 2PY 0.00675 0.00473 -0.01643 -0.01658 -0.00286 155 2PZ 0.04379 0.02633 -0.02917 -0.00882 0.00970 156 3S -0.25870 0.38249 -1.89400 -1.62788 -0.40313 157 3PX 0.14867 -0.16718 0.91332 0.81037 0.20939 158 3PY -0.05500 0.10643 -0.22310 -0.13044 -0.02267 159 3PZ 0.16321 0.10687 -0.16160 -0.08922 0.01996 160 4XX 0.08948 0.19498 -0.53148 -0.38707 -0.00668 161 4YY 0.15122 -0.06703 0.34977 0.30418 0.10368 162 4ZZ -0.24187 -0.12797 0.20961 0.11624 -0.08562 163 4XY 0.14302 0.05995 0.03671 0.10615 0.07808 164 4XZ 0.50145 0.25562 -0.01099 0.25805 0.36039 165 4YZ 0.25449 0.16239 -0.10025 0.02682 0.07171 166 12 H 1S -0.04169 0.05604 -0.13028 -0.08210 -0.02587 167 2S -0.00350 0.00242 0.05277 0.06133 0.01804 168 13 H 1S 0.35702 0.14601 -0.00270 0.12164 0.17405 169 2S -0.04932 -0.03959 0.03680 -0.01179 -0.05766 170 14 H 1S -0.30525 -0.21243 0.15425 -0.04226 -0.15024 171 2S 0.06441 0.02871 -0.00701 0.02986 0.05756 172 15 O 1S -0.00218 0.00521 -0.00784 -0.00519 0.00088 173 2S 0.02777 -0.05927 0.01356 -0.00897 -0.01470 174 2PX 0.01068 -0.01575 0.05965 0.02886 0.01820 175 2PY 0.00868 -0.02700 -0.03232 -0.04598 -0.02121 176 2PZ -0.00063 0.00535 -0.00180 -0.00248 -0.01916 177 3S -0.02503 0.00514 0.17476 0.15670 0.02800 178 3PX -0.04038 0.02796 -0.28602 -0.22004 -0.05920 179 3PY 0.00601 -0.02206 0.34332 0.30614 0.12007 180 3PZ -0.04214 -0.01518 -0.02669 0.01358 0.16040 181 4XX -0.09253 -0.00261 -0.27377 -0.27072 -0.02855 182 4YY 0.02172 -0.00509 0.19970 0.20601 0.15285 183 4ZZ 0.06314 0.02491 0.03127 0.02527 -0.11660 184 4XY -0.02086 -0.05667 0.06039 0.06106 0.07652 185 4XZ -0.21659 -0.11547 0.06369 0.02537 0.10265 186 4YZ -0.00827 0.03426 -0.11766 0.02341 0.32116 187 16 H 1S -0.10267 0.16260 -0.25709 -0.17949 -0.00083 188 2S -0.01160 -0.04598 0.31083 0.29692 0.07883 189 17 H 1S 0.05536 -0.10272 0.12648 0.08197 0.00072 190 2S 0.00408 0.12067 -0.20570 -0.16417 -0.02404 191 18 H 1S -0.08225 0.02525 -0.12940 -0.09048 -0.03705 192 2S -0.13076 0.15535 -0.09753 0.12640 0.06634 193 19 C 1S 0.00373 -0.00327 -0.01106 -0.00799 -0.00829 194 2S 0.02944 -0.02235 -0.03949 -0.07613 -0.05876 195 2PX -0.00481 0.00487 0.01309 0.01965 0.01157 196 2PY -0.00621 -0.01372 -0.04091 0.00741 -0.01792 197 2PZ -0.00777 0.03503 0.00825 0.01718 -0.01257 198 3S -0.11654 0.08693 0.40929 0.46333 0.29765 199 3PX 0.00611 0.10285 -0.02433 -0.06921 0.04789 200 3PY -0.00306 0.14712 -0.22881 -0.18540 -0.16109 201 3PZ -0.04354 0.05007 0.02859 0.11131 -0.04152 202 4XX 0.05438 -0.07611 -0.04342 -0.08921 -0.03154 203 4YY 0.09621 -0.08462 0.18844 0.00255 0.05694 204 4ZZ -0.14308 0.16004 -0.16305 0.07954 -0.02928 205 4XY 0.20536 -0.23682 0.11738 -0.07071 -0.14948 206 4XZ 0.04731 -0.25174 -0.03815 -0.19837 0.09288 207 4YZ -0.12894 0.26731 -0.15970 0.20156 0.10237 208 20 H 1S -0.14785 0.13829 -0.11917 0.06147 0.08510 209 2S 0.06104 -0.15866 0.07990 0.01688 -0.03544 210 21 H 1S 0.02783 0.13048 0.07711 0.08214 -0.08268 211 2S 0.02059 -0.12005 -0.08204 -0.04082 0.01190 212 22 H 1S 0.17975 -0.30946 0.08504 -0.22880 -0.01870 213 2S -0.04447 0.07485 -0.03015 0.03176 0.02513 214 23 H 1S -0.27559 0.01981 0.09813 0.14782 0.16817 215 2S -0.06159 0.04201 0.08233 -0.05035 0.04998 216 24 H 1S 0.23950 -0.01733 -0.11162 -0.18971 -0.09932 217 2S 0.01897 -0.09542 0.05030 0.01026 0.03924 218 25 H 1S -0.24178 0.38214 0.16026 0.00502 -0.00712 219 2S -0.05944 -0.01443 0.07329 -0.01519 0.02806 220 26 H 1S 0.24495 -0.30538 -0.14256 -0.00046 -0.03383 221 2S -0.04880 0.27180 0.21808 -0.23083 0.01664 222 27 H 1S -0.11031 -0.11842 -0.21219 0.21919 0.00358 223 2S 0.00291 0.25823 0.30492 -0.32186 0.04289 224 28 C 1S 0.00284 -0.00537 -0.00998 0.00854 -0.00282 225 2S -0.01387 -0.00863 -0.05364 0.06621 -0.00534 226 2PX -0.01078 0.01661 0.02222 -0.01419 0.00827 227 2PY 0.01778 -0.01923 -0.03215 0.03265 -0.01932 228 2PZ -0.01709 0.02645 0.00722 0.00991 -0.01288 229 3S -0.11983 0.24864 0.45710 -0.37040 0.06199 230 3PX 0.00961 0.09275 0.16470 -0.16799 0.03897 231 3PY -0.03919 0.10462 -0.00073 0.02162 0.01212 232 3PZ 0.00283 -0.05083 0.00834 -0.01961 -0.01416 233 4XX 0.00838 0.03315 0.04955 -0.06689 0.05488 234 4YY 0.09324 -0.19887 -0.21074 0.18957 -0.14335 235 4ZZ -0.09167 0.15532 0.15252 -0.12521 0.08554 236 4XY 0.08608 -0.18651 -0.23375 0.23166 -0.07165 237 4XZ 0.04291 -0.08587 0.07280 -0.19898 0.27012 238 4YZ -0.06856 0.21540 0.10331 -0.02475 -0.11581 239 29 H 1S -0.08804 0.17129 0.18625 -0.17850 0.08398 240 2S 0.11775 -0.24289 -0.22352 0.17427 -0.06984 241 30 H 1S 0.01912 -0.05309 -0.13645 0.18249 -0.17687 242 2S 0.01299 -0.02549 0.03444 -0.07247 0.07732 243 31 H 1S 0.10457 -0.22042 -0.14137 0.04309 0.09518 244 2S -0.02161 0.07630 0.01698 0.02415 -0.06038 245 32 H 1S 0.02086 0.01529 0.02046 -0.08140 0.06054 246 2S 0.00906 -0.08490 -0.08488 0.11166 -0.04683 247 33 H 1S -0.08625 0.08752 -0.03542 0.15446 -0.17464 248 2S 0.02130 -0.01744 0.03526 -0.07057 0.06453 249 34 H 1S -0.00796 -0.10189 -0.01468 -0.02233 0.13752 250 2S -0.03033 0.07852 0.03817 0.00395 -0.04120 216 217 218 219 220 V V V V V Eigenvalues -- 2.42277 2.43487 2.46730 2.48368 2.49638 1 1 C 1S -0.00909 -0.00095 -0.00985 -0.00415 -0.00233 2 2S -0.04445 0.00429 -0.06787 -0.02445 -0.08094 3 2PX 0.02585 0.01242 0.00673 -0.01962 -0.01135 4 2PY 0.02678 0.01068 0.00513 -0.00385 -0.02361 5 2PZ 0.02104 -0.01064 -0.00168 0.01370 0.01961 6 3S 0.33829 0.20712 0.35209 0.03698 0.18585 7 3PX 0.11410 -0.00361 0.13337 0.08526 0.05316 8 3PY 0.14118 0.09088 0.14717 0.02192 0.09172 9 3PZ -0.01885 0.03522 -0.05884 0.04107 -0.00010 10 4XX -0.03885 0.03162 -0.04453 -0.21260 0.02529 11 4YY -0.09725 -0.01506 0.14649 0.42080 -0.02391 12 4ZZ 0.12670 -0.01835 -0.11331 -0.22948 0.01656 13 4XY -0.04581 0.10050 0.01382 -0.21750 0.02586 14 4XZ -0.55833 0.15075 0.01828 -0.05262 0.00008 15 4YZ -0.15499 0.15861 -0.07818 -0.15203 0.10528 16 2 C 1S -0.00241 -0.00437 -0.00285 0.04269 -0.05349 17 2S -0.02267 -0.07846 0.01675 0.16048 -0.03157 18 2PX -0.00822 -0.04730 0.07746 0.24846 -0.07155 19 2PY 0.06983 -0.02304 0.05303 -0.11239 0.18560 20 2PZ -0.04237 0.05020 -0.02132 0.04440 -0.00883 21 3S 0.03907 -0.05068 0.51964 -0.16753 1.22510 22 3PX 0.06738 0.08883 0.54513 0.79006 -0.01146 23 3PY 0.39788 0.39251 0.09697 -0.89774 0.67612 24 3PZ -0.10210 -0.08497 -0.08083 0.17076 -0.17211 25 4XX -0.05444 0.09620 -0.03403 -0.13335 0.06325 26 4YY -0.17098 0.01605 0.10375 -0.02318 0.21378 27 4ZZ 0.21357 -0.12502 -0.01428 0.37313 -0.37080 28 4XY -0.18252 0.09334 -0.04819 0.22853 -0.10682 29 4XZ -0.27815 0.35926 0.02621 0.22834 0.31670 30 4YZ -0.35535 0.06367 -0.00370 -0.05639 -0.25108 31 3 C 1S -0.00091 0.00757 0.00290 0.02983 -0.02046 32 2S 0.05916 0.13305 0.09998 0.18588 0.02333 33 2PX 0.02508 0.03751 0.04216 -0.13395 0.18484 34 2PY 0.03385 0.00221 0.03926 -0.01537 0.07775 35 2PZ 0.02829 -0.05166 -0.01579 -0.01564 -0.07746 36 3S -0.12319 -0.64804 -0.37516 -0.99086 0.40695 37 3PX -0.11638 -0.61974 0.70665 1.06085 0.36340 38 3PY -0.10179 -0.35178 0.02017 0.07711 0.17580 39 3PZ 0.02882 -0.01239 -0.04090 -0.14144 -0.08722 40 4XX 0.04324 0.07618 -0.11071 -0.39873 0.13724 41 4YY 0.00169 -0.12049 0.06162 0.38468 -0.11245 42 4ZZ -0.06869 0.01291 0.05689 0.15096 -0.08534 43 4XY 0.07946 0.00453 0.19139 0.11111 0.38525 44 4XZ -0.20911 0.23356 -0.03144 0.29173 0.17981 45 4YZ 0.16720 -0.14835 -0.03380 -0.03377 -0.07427 46 4 C 1S 0.00139 -0.02251 0.01391 -0.00142 0.04852 47 2S -0.09404 -0.19582 0.04567 0.08288 0.07771 48 2PX 0.02736 -0.00429 0.02102 -0.00673 0.00741 49 2PY 0.05117 0.02314 0.01713 -0.03107 0.04660 50 2PZ -0.01927 0.02412 -0.02562 0.01467 -0.12700 51 3S 0.36939 1.32501 -0.48539 -0.41404 -1.19721 52 3PX 0.08643 0.15884 0.10357 -0.15130 0.24125 53 3PY -0.03195 -0.51173 0.29976 0.37160 0.21765 54 3PZ 0.10663 0.23778 -0.24876 -0.08606 -0.45322 55 4XX 0.01902 -0.00285 -0.08626 -0.22411 -0.11842 56 4YY -0.01020 -0.19944 0.11505 0.34242 0.15566 57 4ZZ 0.00595 0.22202 -0.03108 -0.13750 0.02749 58 4XY -0.04209 0.03395 -0.17806 0.04548 -0.38799 59 4XZ 0.10680 -0.10338 -0.04457 0.15606 -0.18275 60 4YZ -0.00764 0.14769 -0.00086 -0.14505 0.20319 61 5 C 1S 0.02687 0.04411 -0.01325 -0.00354 -0.02353 62 2S 0.16041 0.39343 0.06400 0.00401 -0.03749 63 2PX 0.00800 0.04784 0.01272 -0.05464 -0.08535 64 2PY -0.00182 -0.01939 0.03720 0.01037 -0.03751 65 2PZ 0.02859 0.01361 -0.05925 -0.00439 -0.06179 66 3S -1.12184 -2.24454 0.39688 0.06379 0.62804 67 3PX -0.38889 -0.80251 -0.05949 0.03449 -0.23305 68 3PY -0.33261 -0.31722 0.00125 -0.07903 -0.00173 69 3PZ 0.29202 0.54727 -0.03084 -0.09986 -0.24567 70 4XX -0.00515 -0.14517 -0.03156 -0.07931 -0.06121 71 4YY -0.03647 -0.16424 0.00301 -0.03494 -0.08410 72 4ZZ 0.05976 0.30797 -0.01927 0.10075 0.06494 73 4XY -0.17393 -0.32383 0.08393 -0.02139 0.09674 74 4XZ 0.04451 -0.21003 0.10541 -0.08045 0.29808 75 4YZ 0.14323 0.16538 -0.01190 0.06394 0.09453 76 6 C 1S -0.00613 -0.00145 0.07365 0.00477 0.00667 77 2S 0.06425 0.13701 0.12331 -0.00024 0.05985 78 2PX -0.10331 -0.19790 0.00218 -0.05248 -0.00487 79 2PY -0.01557 -0.06113 -0.23574 0.06268 0.01430 80 2PZ 0.03425 0.02742 0.03742 0.00731 0.00975 81 3S -0.44145 -1.20875 -2.23422 -0.03993 0.03222 82 3PX -1.16718 -2.08786 -0.11039 -0.10670 0.10277 83 3PY -0.21956 -0.63276 -0.47255 -0.09925 -0.01235 84 3PZ 0.22346 0.37019 0.12122 0.01241 0.09606 85 4XX 0.05257 -0.06148 -0.01724 -0.14676 -0.01456 86 4YY -0.03415 -0.11921 -0.34744 0.09085 0.07106 87 4ZZ -0.09205 0.05160 0.47223 0.09413 -0.00074 88 4XY 0.09567 0.03784 0.16781 0.09197 0.18786 89 4XZ 0.18454 -0.17807 0.14931 -0.05147 0.21023 90 4YZ -0.03507 -0.04675 0.12239 -0.04729 -0.08998 91 7 C 1S -0.01902 -0.04107 0.02566 -0.01131 -0.00675 92 2S -0.16673 -0.36287 0.10343 0.04715 0.06082 93 2PX -0.02985 -0.00672 -0.23302 -0.05350 -0.06247 94 2PY -0.01390 -0.01642 -0.01634 0.06224 0.05732 95 2PZ -0.02767 0.00640 0.04119 0.00702 -0.02372 96 3S 1.20378 2.34392 -0.60853 0.25097 -0.02194 97 3PX -0.56725 -1.10373 -1.16138 0.21034 0.25890 98 3PY 0.53775 1.05986 -0.04827 0.15261 -0.04621 99 3PZ -0.02940 0.06164 0.20460 -0.04895 -0.06382 100 4XX 0.04714 -0.01106 -0.26649 0.02911 0.10715 101 4YY 0.09800 0.30474 0.21549 0.09456 0.04210 102 4ZZ -0.13397 -0.28499 0.10914 -0.09194 -0.11260 103 4XY -0.17666 -0.33238 -0.30401 0.02641 0.17043 104 4XZ 0.08459 -0.17982 0.20774 -0.09007 0.17200 105 4YZ -0.15396 0.00040 0.02432 -0.01766 -0.11866 106 8 C 1S -0.00639 -0.01178 -0.05653 0.01196 0.01540 107 2S 0.00259 -0.01237 -0.22878 0.03600 0.01058 108 2PX 0.00534 0.03029 -0.16878 0.06641 0.08964 109 2PY -0.03432 -0.05779 -0.08519 0.00854 0.03200 110 2PZ -0.01931 -0.00364 0.04392 -0.01158 -0.02442 111 3S -0.00239 0.14368 2.46329 -0.32502 -0.33801 112 3PX 0.11371 0.34243 0.10688 0.07094 -0.16477 113 3PY -0.04100 -0.16915 -0.95382 0.11040 0.09830 114 3PZ -0.02650 -0.02179 0.11922 -0.02762 -0.01820 115 4XX -0.07595 -0.05858 0.23361 -0.18550 -0.20019 116 4YY 0.10456 0.13116 0.18504 0.13549 0.18680 117 4ZZ -0.02207 -0.05071 -0.40025 0.08389 0.04676 118 4XY -0.01624 -0.05489 0.08468 0.00633 0.09490 119 4XZ -0.17196 -0.11998 -0.11105 0.04005 0.14370 120 4YZ 0.03489 -0.07229 -0.10357 -0.02663 0.03665 121 9 C 1S -0.00065 0.00035 -0.00645 0.02131 0.02924 122 2S -0.03325 -0.04532 0.09479 0.11506 0.17894 123 2PX 0.00100 0.01269 0.10300 -0.09873 -0.14334 124 2PY 0.01580 0.01615 -0.16486 0.10082 0.12647 125 2PZ 0.01645 0.00361 0.00259 0.00316 -0.00248 126 3S 0.09470 -0.03100 -0.60917 -0.61445 -0.83991 127 3PX -0.01138 0.09947 0.87200 -0.03874 -0.10912 128 3PY -0.23285 -0.41888 -0.37937 0.27932 0.59672 129 3PZ 0.03906 0.02183 -0.09191 -0.03924 -0.04369 130 4XX -0.12520 -0.17904 -0.26622 -0.01851 0.04048 131 4YY 0.10337 0.14243 0.21026 -0.08168 -0.17964 132 4ZZ 0.02594 0.03172 -0.03154 0.15646 0.22351 133 4XY -0.01864 -0.01834 -0.19775 0.03834 0.05201 134 4XZ -0.09773 0.00729 0.09053 0.03393 0.03795 135 4YZ 0.14559 0.10546 -0.03447 0.04928 0.00271 136 10 C 1S -0.01147 -0.01962 0.05593 -0.03678 -0.04696 137 2S -0.03163 -0.05727 0.05914 -0.07951 -0.09716 138 2PX 0.05623 0.09668 -0.04367 0.00241 -0.01950 139 2PY -0.04510 -0.08341 -0.08665 0.01989 0.05916 140 2PZ 0.03859 0.02063 0.01251 -0.00036 -0.02552 141 3S 0.16069 0.32573 -0.92999 0.82504 1.08068 142 3PX 0.29864 0.46780 -0.31263 0.02065 -0.14101 143 3PY -0.22269 -0.39834 -0.35578 0.31641 0.59417 144 3PZ 0.04441 0.02671 0.09590 -0.04632 -0.10080 145 4XX -0.01262 0.04527 -0.09510 0.02671 0.05314 146 4YY 0.03045 0.04292 -0.15740 0.14491 0.18086 147 4ZZ -0.04461 -0.13036 0.37527 -0.25251 -0.33637 148 4XY -0.02767 -0.04280 0.01814 0.03332 0.08383 149 4XZ -0.21786 -0.17999 0.13915 -0.08217 -0.01230 150 4YZ 0.01326 0.01038 0.09361 -0.07727 -0.09992 151 11 C 1S 0.01082 0.01978 -0.01500 0.00890 0.00581 152 2S 0.04117 0.07391 -0.00666 0.02164 -0.00003 153 2PX 0.03879 0.07103 -0.07762 0.03330 0.02672 154 2PY -0.00798 -0.01278 0.02986 -0.01155 -0.01553 155 2PZ -0.01149 -0.01449 0.00964 -0.00430 -0.00315 156 3S -0.39169 -0.68095 0.46505 -0.26205 -0.12943 157 3PX 0.19136 0.33645 -0.26542 0.12388 0.06119 158 3PY -0.01828 -0.04815 -0.06411 0.00378 0.02195 159 3PZ -0.05191 -0.07142 0.05977 -0.02374 -0.00797 160 4XX -0.15240 -0.23381 0.15084 -0.03990 0.01550 161 4YY 0.04913 0.11591 0.05397 -0.06403 -0.12436 162 4ZZ 0.11976 0.14781 -0.24091 0.12481 0.12858 163 4XY -0.00110 0.01843 -0.16208 0.10013 0.14832 164 4XZ -0.10067 -0.03803 -0.03595 0.01053 0.04237 165 4YZ -0.03023 -0.03018 -0.02052 0.01416 0.02080 166 12 H 1S -0.00629 -0.02742 -0.11220 0.07948 0.11633 167 2S 0.02530 0.04204 -0.04922 0.01908 0.01479 168 13 H 1S -0.06512 -0.04146 0.09800 -0.04734 -0.05587 169 2S 0.02611 0.01847 -0.01627 0.01874 0.01993 170 14 H 1S 0.06284 0.05314 0.08209 -0.04077 -0.08005 171 2S -0.02145 -0.01119 -0.01031 0.01631 0.02736 172 15 O 1S 0.00409 0.00789 0.00303 0.00379 0.00443 173 2S -0.04795 -0.06735 0.08184 -0.08776 -0.13657 174 2PX 0.00720 0.02396 0.10743 -0.07768 -0.11058 175 2PY -0.04243 -0.06838 0.02581 -0.05366 -0.06564 176 2PZ 0.01350 0.01283 -0.02520 0.02281 0.02600 177 3S 0.00456 -0.03878 -0.16610 0.01998 0.08301 178 3PX -0.10354 -0.18367 -0.16192 0.07174 0.15690 179 3PY 0.08701 0.15507 0.04053 -0.01396 -0.04345 180 3PZ -0.07290 -0.04267 0.03948 -0.01684 0.01877 181 4XX -0.09181 -0.12710 0.02597 -0.04296 0.01238 182 4YY 0.04373 0.12462 0.10371 0.00323 -0.02305 183 4ZZ 0.06168 0.03993 -0.05865 0.01633 -0.02496 184 4XY -0.05765 -0.06446 -0.10308 0.02085 0.05614 185 4XZ -0.02900 0.01243 0.01210 0.00513 0.02522 186 4YZ -0.15968 -0.11493 0.02220 -0.01318 0.06400 187 16 H 1S 0.05308 0.08405 0.10856 0.04908 0.04050 188 2S 0.04523 0.06133 -0.14599 -0.01742 -0.04526 189 17 H 1S -0.05706 -0.07233 -0.11656 -0.08112 -0.10281 190 2S 0.08375 0.15611 0.21011 0.00840 0.00681 191 18 H 1S -0.08738 -0.19363 -0.07609 -0.07198 -0.05486 192 2S 0.15663 0.28941 -0.00865 0.12347 0.05137 193 19 C 1S -0.00682 -0.01836 -0.05130 0.00159 0.00240 194 2S -0.05485 -0.13398 -0.17082 0.01592 0.02731 195 2PX 0.01163 0.01844 0.04040 -0.00408 0.00274 196 2PY -0.01994 -0.06656 -0.20303 0.00604 -0.00126 197 2PZ 0.01062 -0.01538 0.02791 -0.00734 0.01762 198 3S 0.26912 0.77210 1.46033 0.03921 -0.00268 199 3PX 0.13504 0.30093 0.31920 0.07956 0.00446 200 3PY -0.03628 -0.25582 -0.73339 0.05787 0.05924 201 3PZ 0.02153 -0.02702 0.07162 0.00375 -0.02159 202 4XX -0.04492 -0.03797 -0.22697 0.06642 -0.00305 203 4YY -0.03140 0.00673 0.60656 -0.04492 -0.00712 204 4ZZ 0.07831 0.03407 -0.44541 -0.03008 0.00916 205 4XY -0.22986 -0.45876 -0.12446 0.13832 0.14781 206 4XZ -0.02694 0.25275 -0.08105 -0.01906 -0.10995 207 4YZ 0.05383 0.00853 -0.14320 -0.04072 -0.03655 208 20 H 1S 0.11647 0.22159 -0.08824 -0.10414 -0.09076 209 2S -0.12787 -0.23804 -0.09202 -0.01025 0.01419 210 21 H 1S -0.02584 -0.24310 0.13056 0.02248 0.08945 211 2S 0.00600 0.11783 -0.05437 0.00170 -0.08717 212 22 H 1S -0.12199 -0.02540 0.06015 0.04326 -0.01821 213 2S 0.02293 -0.02098 -0.02273 -0.02738 0.01892 214 23 H 1S -0.04589 -0.21674 0.03981 -0.09192 0.05168 215 2S -0.02366 0.00211 -0.05192 0.12826 -0.04886 216 24 H 1S 0.06046 0.20731 -0.00889 0.05802 0.03842 217 2S -0.05453 -0.00348 -0.12400 -0.09405 -0.01035 218 25 H 1S 0.02938 -0.23383 -0.02876 0.20322 -0.18532 219 2S -0.03596 -0.09777 -0.01053 0.00436 0.02756 220 26 H 1S -0.03621 0.18863 -0.08885 -0.21320 -0.05383 221 2S 0.01991 -0.03195 -0.10150 -0.08989 0.07197 222 27 H 1S 0.08312 0.03412 0.02180 -0.13096 0.13140 223 2S -0.04710 -0.01537 -0.02912 0.06078 -0.02002 224 28 C 1S 0.01051 0.00512 0.00697 -0.03583 0.04395 225 2S 0.05536 0.01103 0.02761 -0.11095 0.10625 226 2PX -0.02049 -0.01393 -0.01779 0.05937 -0.08625 227 2PY 0.01737 0.02261 0.03952 -0.08860 0.15911 228 2PZ -0.04743 0.01952 -0.00962 0.02550 -0.03425 229 3S -0.38880 -0.28845 -0.15863 1.22722 -1.20432 230 3PX -0.10680 -0.04467 -0.07360 0.29236 -0.34040 231 3PY 0.14479 0.06043 0.02439 -0.54794 0.57459 232 3PZ -0.14223 0.03467 0.01583 0.14573 -0.04477 233 4XX 0.08538 -0.00555 -0.02263 -0.14632 0.09513 234 4YY -0.14821 0.00291 0.02890 0.34717 -0.36640 235 4ZZ 0.07279 0.01474 -0.00702 -0.27238 0.34283 236 4XY 0.20705 -0.04443 0.19682 0.08036 0.33433 237 4XZ 0.45985 -0.14770 -0.08030 0.03741 -0.09367 238 4YZ -0.14161 -0.02091 -0.01737 -0.35882 0.10294 239 29 H 1S -0.01188 -0.00016 -0.11778 -0.23795 -0.00635 240 2S 0.01130 0.06879 0.11891 0.07299 0.06001 241 30 H 1S -0.28348 0.11571 0.05241 0.05910 -0.01994 242 2S 0.10253 -0.02373 -0.00698 -0.01324 0.05205 243 31 H 1S 0.29416 -0.06718 0.02013 0.13418 -0.06260 244 2S -0.09600 0.02768 -0.00604 -0.06665 -0.00972 245 32 H 1S 0.03630 0.06909 -0.09581 -0.30480 0.03820 246 2S -0.00435 -0.03233 0.06370 0.09523 0.04927 247 33 H 1S -0.28052 0.01792 0.05162 0.07398 -0.05937 248 2S 0.11800 -0.06641 -0.01621 -0.01278 -0.00459 249 34 H 1S 0.25305 -0.10427 0.02300 0.20424 -0.03058 250 2S -0.12553 0.05717 -0.01059 -0.02926 0.00765 221 222 223 224 225 V V V V V Eigenvalues -- 2.51978 2.53445 2.56531 2.60913 2.62452 1 1 C 1S -0.00187 0.00026 0.01495 -0.02261 0.01615 2 2S -0.03016 -0.05170 -0.03140 -0.02211 0.01368 3 2PX -0.00244 -0.02328 -0.07217 0.06230 -0.04629 4 2PY -0.00518 -0.02557 -0.08046 0.07558 -0.05014 5 2PZ 0.01605 0.01231 0.01809 -0.01852 0.01757 6 3S 0.07335 0.09618 -0.36660 0.40128 -0.35590 7 3PX 0.03505 0.01948 -0.15418 0.25251 -0.17170 8 3PY 0.05632 0.04694 -0.08919 0.05070 -0.09290 9 3PZ 0.03492 0.00692 -0.01678 -0.08225 0.04241 10 4XX -0.01944 -0.08423 -0.12437 0.08211 -0.02816 11 4YY 0.04535 0.11627 0.08675 0.03260 -0.03301 12 4ZZ -0.02230 -0.02450 0.07587 -0.16464 0.09820 13 4XY -0.01583 -0.09897 -0.20300 0.18679 -0.12071 14 4XZ -0.08736 0.01018 0.13969 -0.01874 0.04379 15 4YZ 0.05272 -0.01343 -0.05717 -0.08064 0.05646 16 2 C 1S -0.01789 -0.01653 -0.05705 0.06281 -0.03230 17 2S -0.00356 0.01134 -0.01451 0.13683 -0.05124 18 2PX -0.00430 0.01873 -0.00667 0.00981 0.00229 19 2PY 0.08371 0.03261 0.07215 0.01424 -0.02987 20 2PZ 0.02734 0.00724 -0.07509 -0.02276 0.00912 21 3S 0.55146 0.72762 1.99101 -2.04883 0.99924 22 3PX 0.07984 0.30534 0.28934 -0.46254 0.14707 23 3PY 0.20577 0.09883 0.03002 -0.21424 -0.07040 24 3PZ -0.05359 -0.06711 -0.05401 0.08464 -0.00126 25 4XX 0.03310 -0.06485 -0.13739 -0.15143 0.10070 26 4YY 0.02677 0.16755 0.44426 -0.13445 0.05562 27 4ZZ -0.08235 -0.07260 -0.34066 0.35313 -0.20108 28 4XY 0.00454 0.02071 -0.10880 -0.00728 0.04762 29 4XZ 0.35079 0.08998 -0.36223 0.02310 -0.05027 30 4YZ -0.23333 -0.13122 -0.08866 0.25245 -0.09537 31 3 C 1S -0.00739 0.00132 0.01077 -0.03513 0.01958 32 2S 0.01398 0.11328 0.09614 -0.10537 0.01306 33 2PX 0.05033 0.02701 0.07520 -0.11624 0.04888 34 2PY 0.03361 0.05523 0.09276 -0.01268 -0.02464 35 2PZ -0.05413 -0.02715 -0.00338 0.01324 -0.00233 36 3S 0.12112 -0.35629 -0.72074 1.78947 -0.77900 37 3PX 0.33067 0.50560 0.90540 -0.17037 0.12089 38 3PY 0.02231 0.00822 -0.08513 0.68624 -0.23150 39 3PZ -0.05538 -0.03717 -0.00215 -0.05329 0.06288 40 4XX 0.06834 -0.08740 -0.19139 0.11266 -0.07986 41 4YY 0.00309 0.10036 0.05533 0.00407 -0.02525 42 4ZZ -0.08517 0.01185 0.22256 -0.17634 0.13341 43 4XY 0.22996 0.18499 0.08370 -0.02183 -0.02603 44 4XZ 0.34356 0.07512 -0.41684 -0.10571 0.03237 45 4YZ 0.02171 -0.02756 -0.01717 -0.12447 0.05895 46 4 C 1S 0.01796 0.01265 0.01508 0.07684 -0.01614 47 2S 0.03188 0.08382 0.12141 0.10044 -0.02764 48 2PX 0.01405 0.01415 0.03938 -0.10695 -0.01993 49 2PY 0.00414 0.04650 0.00724 0.00890 -0.03634 50 2PZ -0.04599 -0.00624 0.00482 -0.19563 0.02394 51 3S -0.48800 -0.47792 -0.74444 -2.08202 0.39473 52 3PX 0.05535 0.10786 -0.23116 -0.01477 -0.18684 53 3PY 0.22586 0.05691 0.41566 0.01533 -0.04851 54 3PZ -0.17355 -0.12378 -0.00925 -0.72884 0.10000 55 4XX -0.01646 -0.16191 -0.20600 -0.04195 0.05076 56 4YY 0.12882 0.12423 0.07738 0.38668 -0.07095 57 4ZZ -0.08437 0.03511 0.13573 -0.17932 -0.00565 58 4XY -0.11999 -0.13538 -0.31334 -0.23406 0.09101 59 4XZ 0.12809 0.10529 0.02886 -0.55446 0.00805 60 4YZ 0.10836 0.00088 -0.27624 -0.07073 0.00490 61 5 C 1S 0.00004 0.00373 -0.02342 -0.07941 -0.00231 62 2S -0.07237 -0.02978 -0.12656 -0.09084 -0.06420 63 2PX -0.05540 -0.00468 0.03935 -0.04735 0.01719 64 2PY -0.04126 -0.01704 0.05484 0.00313 0.01427 65 2PZ 0.01717 0.01506 -0.02515 -0.20014 0.01396 66 3S 0.30781 0.10764 0.73706 2.12045 0.37397 67 3PX 0.05093 -0.13240 0.44535 -0.07047 0.23465 68 3PY 0.02906 0.19538 -0.06131 0.16238 0.14828 69 3PZ -0.16891 -0.05579 -0.38984 -0.70903 -0.02892 70 4XX 0.05132 0.09557 0.08821 0.23248 -0.12178 71 4YY -0.00486 -0.27669 -0.15701 -0.49737 0.18705 72 4ZZ -0.04792 0.21125 0.09214 0.10584 -0.04758 73 4XY 0.05701 -0.00779 0.05134 0.35285 0.07929 74 4XZ 0.11292 -0.22929 -0.13527 0.53438 -0.01711 75 4YZ -0.05359 0.21900 -0.26045 0.12291 -0.07431 76 6 C 1S -0.02789 -0.03959 0.02918 0.01943 -0.02516 77 2S -0.14209 -0.13351 0.01427 0.02511 -0.10777 78 2PX 0.02644 -0.06932 0.04108 -0.07120 -0.05028 79 2PY 0.03636 0.12879 0.04130 0.07009 0.09757 80 2PZ -0.06571 0.04110 -0.02218 -0.01336 -0.00216 81 3S 1.20933 0.68018 -1.10351 -1.42000 0.67142 82 3PX 0.66722 0.00022 -0.25121 -0.08874 0.55025 83 3PY 0.10969 0.58484 0.39768 1.02485 0.61336 84 3PZ -0.10753 -0.06922 0.02641 -0.01438 -0.21752 85 4XX 0.05890 0.16635 -0.14631 -0.09162 -0.26887 86 4YY 0.14024 0.00319 -0.05595 0.05917 0.38387 87 4ZZ -0.21894 -0.29142 0.25564 0.00415 -0.12866 88 4XY -0.01661 -0.21303 -0.26296 -0.18199 0.03378 89 4XZ -0.34056 0.11227 -0.28027 0.16164 0.00560 90 4YZ 0.28926 -0.35020 0.12350 0.16527 -0.08420 91 7 C 1S 0.02506 -0.00208 -0.02639 -0.02923 0.01365 92 2S 0.11562 -0.08200 -0.17312 -0.17638 0.28690 93 2PX 0.06813 0.16181 0.02210 0.05712 0.05514 94 2PY -0.03597 -0.04908 -0.02238 0.01729 0.14683 95 2PZ 0.02074 -0.04597 0.03317 -0.02986 -0.02934 96 3S -1.20947 0.10982 1.45552 1.50559 -0.90091 97 3PX 0.29323 -0.44821 0.09726 -0.67786 -0.23540 98 3PY -0.48938 -0.11962 0.51569 0.29052 -0.26883 99 3PZ 0.01176 0.10373 -0.06085 0.07163 0.09098 100 4XX -0.15694 0.24960 0.02113 0.19557 0.02501 101 4YY -0.22593 -0.23119 0.03937 -0.07444 -0.04930 102 4ZZ 0.35691 -0.08857 -0.11127 -0.15302 0.11240 103 4XY -0.05791 -0.08061 -0.02686 -0.13432 0.02656 104 4XZ -0.42171 0.34880 -0.32310 -0.08050 -0.00481 105 4YZ 0.06812 0.08153 0.06490 -0.06530 0.03155 106 8 C 1S -0.00126 -0.00088 0.01212 -0.00298 -0.04621 107 2S 0.01443 0.03326 0.07760 -0.00573 -0.21493 108 2PX -0.11234 -0.12101 0.08747 0.04144 0.14267 109 2PY 0.02326 0.01498 0.00738 0.00559 -0.07414 110 2PZ 0.04135 -0.00117 0.00026 0.00973 -0.01428 111 3S -0.19398 -0.15688 -0.60100 0.45889 2.81533 112 3PX -0.36614 -0.07597 0.53773 0.72897 1.22459 113 3PY 0.17111 0.00821 0.11942 -0.30935 -0.86614 114 3PZ 0.09938 -0.03476 -0.10255 -0.09193 -0.08646 115 4XX 0.03632 0.25303 0.01417 0.09962 0.05726 116 4YY -0.22520 -0.24860 -0.12002 -0.09888 0.31279 117 4ZZ 0.13643 -0.06946 0.10544 -0.01431 -0.33675 118 4XY -0.05032 -0.05891 -0.07985 -0.21331 -0.60808 119 4XZ -0.29538 0.16856 -0.03516 -0.00104 0.00633 120 4YZ -0.09818 0.17282 -0.03322 0.03926 -0.00966 121 9 C 1S -0.03327 -0.04369 0.01264 0.00921 0.04509 122 2S -0.15470 -0.27097 -0.00611 -0.04976 0.02864 123 2PX 0.06713 0.13397 0.01477 0.10213 0.22003 124 2PY -0.08654 -0.11661 0.03549 0.00440 0.02419 125 2PZ 0.03407 -0.03097 -0.00458 -0.01325 -0.04276 126 3S 1.26113 1.46949 -0.47488 -0.71245 -2.12076 127 3PX -0.26029 -0.18948 -0.00778 0.36206 1.47504 128 3PY -0.25901 -0.55119 0.01651 -0.18984 -0.54623 129 3PZ 0.04428 0.15206 -0.01577 -0.03720 -0.18711 130 4XX 0.08083 0.07761 0.05716 -0.02792 -0.51530 131 4YY 0.13360 0.13155 -0.11874 -0.07270 0.12682 132 4ZZ -0.26642 -0.30678 0.07958 0.05026 0.28195 133 4XY -0.05682 -0.10525 0.11812 0.00980 -0.11936 134 4XZ -0.11218 -0.04945 0.00690 0.04098 0.19546 135 4YZ 0.07210 -0.14463 0.03921 -0.00717 0.05631 136 10 C 1S 0.04739 0.05450 -0.02878 -0.01200 -0.00696 137 2S 0.09929 0.11562 -0.02631 -0.00402 -0.01170 138 2PX -0.01748 0.00216 0.04984 0.06448 0.02828 139 2PY -0.02016 -0.07953 0.06001 0.01939 -0.10120 140 2PZ 0.08282 -0.04669 0.00038 0.01722 0.01186 141 3S -1.13530 -1.28589 0.56799 0.45246 0.96055 142 3PX 0.00676 0.11010 0.12959 0.06210 0.08943 143 3PY -0.31290 -0.64797 0.11532 -0.16749 -0.60155 144 3PZ 0.15058 -0.00047 -0.01552 0.04649 0.07847 145 4XX -0.14283 0.02375 0.07252 0.03355 -0.10994 146 4YY -0.17479 -0.15376 0.01674 -0.01155 0.21933 147 4ZZ 0.42039 0.25742 -0.15146 -0.03875 -0.12512 148 4XY -0.03781 -0.03426 -0.11406 -0.27402 -0.45015 149 4XZ -0.15802 0.27149 -0.10007 -0.07923 0.06191 150 4YZ -0.00994 0.19602 -0.04820 -0.07875 0.01876 151 11 C 1S -0.01586 -0.01003 0.01346 0.01499 0.02736 152 2S -0.03399 -0.02650 0.00981 0.00926 0.09953 153 2PX -0.05805 -0.03309 0.06015 0.06525 0.07089 154 2PY 0.01834 0.01584 -0.01782 -0.00843 0.01314 155 2PZ 0.01247 -0.00099 -0.00639 -0.00664 -0.01446 156 3S 0.40893 0.25526 -0.31958 -0.31565 -0.76472 157 3PX -0.19799 -0.10582 0.17330 0.17234 0.33395 158 3PY 0.04327 0.03578 -0.03412 -0.04214 -0.11315 159 3PZ 0.02448 0.01519 -0.02648 -0.01928 -0.04293 160 4XX 0.07459 0.02273 -0.13521 -0.17339 -0.22297 161 4YY 0.01128 0.10419 0.06365 0.16896 0.30053 162 4ZZ -0.12125 -0.15240 0.10168 0.03830 -0.02139 163 4XY -0.12411 -0.15554 0.06187 -0.03744 -0.21194 164 4XZ -0.11644 0.04693 0.02092 0.04109 0.07475 165 4YZ 0.01567 -0.03661 0.00281 0.00787 -0.01555 166 12 H 1S -0.05266 -0.10901 -0.00058 -0.07276 -0.14728 167 2S -0.02539 -0.00714 0.02223 0.03724 0.07856 168 13 H 1S 0.01691 0.06394 -0.02069 0.02905 0.10896 169 2S -0.00792 -0.03893 0.00885 -0.00548 -0.01717 170 14 H 1S 0.05336 0.04719 -0.01511 0.01622 0.10842 171 2S -0.03255 -0.02398 0.00420 -0.01026 -0.01659 172 15 O 1S -0.00777 -0.00659 0.00094 0.00331 0.00719 173 2S 0.09000 0.15638 -0.00012 0.12698 0.36660 174 2PX 0.05659 0.11022 -0.00076 0.07908 0.13773 175 2PY 0.05865 0.07673 0.00765 0.05234 0.09411 176 2PZ -0.01180 -0.03612 0.00026 -0.02356 -0.03860 177 3S 0.05385 -0.07340 -0.01760 -0.29634 -0.93165 178 3PX -0.04834 -0.12773 0.01117 -0.16496 -0.45727 179 3PY -0.01691 0.04899 -0.02219 -0.04519 -0.07582 180 3PZ -0.13329 0.12744 -0.03484 -0.02807 0.08951 181 4XX -0.02192 0.04064 0.01264 -0.03848 -0.28163 182 4YY -0.09265 0.06269 -0.04586 0.02045 0.30736 183 4ZZ 0.09904 -0.08214 0.04786 0.09389 0.10406 184 4XY -0.08257 0.01109 0.02592 -0.02955 -0.07194 185 4XZ -0.15676 0.12863 -0.04525 -0.07917 0.08844 186 4YZ -0.21858 0.17530 -0.05295 -0.09375 -0.02633 187 16 H 1S -0.07303 -0.07489 -0.01509 0.02553 0.20528 188 2S 0.04411 0.07619 0.04089 -0.02123 -0.22338 189 17 H 1S 0.08881 0.16292 0.09396 0.08992 -0.22460 190 2S -0.06446 0.01813 -0.05662 0.04432 0.18598 191 18 H 1S 0.15041 0.12033 -0.02899 0.00108 0.09593 192 2S -0.16022 -0.11957 0.06791 -0.07582 -0.06942 193 19 C 1S 0.01386 0.02932 0.00075 0.01756 0.02709 194 2S 0.03971 0.09063 0.08589 0.05866 -0.08357 195 2PX -0.01582 -0.03894 -0.01114 -0.02347 -0.05413 196 2PY 0.04347 0.07563 -0.02999 0.04307 0.16823 197 2PZ -0.01037 0.00028 -0.00690 0.00780 -0.01530 198 3S -0.40433 -0.85786 -0.17474 -0.63660 -0.64096 199 3PX -0.18488 -0.05756 0.10697 0.02043 -0.07361 200 3PY 0.19417 0.49877 0.05744 0.21545 0.31051 201 3PZ -0.05797 -0.03114 -0.07593 -0.09043 -0.02464 202 4XX 0.01211 0.11385 0.02785 0.02919 0.21010 203 4YY -0.04236 -0.32362 -0.01473 -0.08240 -0.21161 204 4ZZ 0.05609 0.26520 -0.04350 0.08965 0.08149 205 4XY 0.11821 -0.11682 -0.12569 -0.12068 0.28848 206 4XZ -0.06580 0.10353 0.07268 -0.04253 -0.06545 207 4YZ 0.21891 -0.08322 0.05200 0.12684 0.00543 208 20 H 1S 0.01132 0.12489 0.03316 0.07021 -0.14365 209 2S 0.04175 -0.08848 -0.02711 -0.00232 0.10524 210 21 H 1S 0.05980 -0.08811 -0.01984 0.03174 0.03843 211 2S -0.08925 0.04301 0.00679 0.00279 -0.00502 212 22 H 1S -0.05039 0.00804 0.04229 -0.04808 0.03559 213 2S 0.03944 -0.01389 0.04506 0.10000 -0.01147 214 23 H 1S 0.09463 -0.25035 0.05035 0.08828 0.02457 215 2S 0.02181 0.06407 0.14003 -0.09043 0.00264 216 24 H 1S -0.02992 0.26327 -0.04317 0.16119 -0.07467 217 2S 0.04546 -0.01258 -0.08812 -0.08603 0.04356 218 25 H 1S 0.03176 0.04498 0.12432 -0.10177 0.00184 219 2S -0.01764 -0.04253 0.13744 0.02368 0.02834 220 26 H 1S -0.08104 -0.09582 -0.24539 -0.04588 0.01295 221 2S 0.00702 0.10114 0.03055 0.11804 -0.02427 222 27 H 1S 0.03177 -0.00081 0.03942 -0.05182 0.03030 223 2S -0.04447 0.00451 -0.05171 0.13888 -0.03743 224 28 C 1S 0.01521 0.01185 0.03008 -0.02335 0.00760 225 2S 0.03185 -0.00054 0.01337 -0.00013 -0.00888 226 2PX -0.03015 -0.03266 -0.06624 0.04979 -0.01373 227 2PY 0.06079 0.05715 0.13732 -0.10629 0.03317 228 2PZ -0.00679 -0.01035 -0.04117 0.00569 -0.00586 229 3S -0.38829 -0.23162 -0.62310 0.63902 -0.17927 230 3PX -0.12125 -0.08782 -0.24424 0.25491 -0.09039 231 3PY 0.20474 0.13404 0.32995 -0.22061 0.06728 232 3PZ 0.01096 -0.00936 -0.11898 0.11519 -0.01830 233 4XX 0.03689 -0.00809 0.02315 -0.04126 0.00704 234 4YY -0.17666 -0.03256 -0.10705 0.13503 -0.04019 235 4ZZ 0.16296 0.06310 0.14036 -0.15317 0.05964 236 4XY 0.14590 0.22995 0.38739 -0.17650 0.03979 237 4XZ 0.02211 -0.04226 -0.11956 -0.01976 -0.00225 238 4YZ -0.07354 -0.03634 0.19774 -0.03544 0.02782 239 29 H 1S -0.01270 -0.08898 -0.08297 -0.01839 0.02278 240 2S 0.01516 0.03053 0.03698 -0.06911 0.01346 241 30 H 1S -0.03459 0.01282 -0.00726 0.04624 -0.01495 242 2S 0.04157 0.00196 -0.03379 0.02825 -0.00606 243 31 H 1S 0.00737 0.02225 -0.02596 -0.01781 -0.01112 244 2S -0.03341 -0.01761 0.02400 -0.02299 0.00208 245 32 H 1S -0.00990 -0.08532 -0.09426 -0.01537 0.00882 246 2S 0.03717 0.06153 0.13259 -0.08989 0.03823 247 33 H 1S -0.06413 -0.00262 0.06187 0.06001 -0.01658 248 2S 0.00479 -0.00971 0.00008 0.01211 0.00371 249 34 H 1S 0.05897 0.03083 -0.03321 -0.00113 -0.01305 250 2S -0.00697 -0.00931 -0.00678 -0.00745 0.00267 226 227 228 229 230 V V V V V Eigenvalues -- 2.66668 2.69381 2.73505 2.82798 2.87454 1 1 C 1S -0.00521 -0.01713 -0.05378 -0.02552 -0.00720 2 2S -0.00303 0.00930 -0.00553 0.01811 0.02628 3 2PX 0.01486 0.04817 0.15824 0.08282 0.03621 4 2PY 0.01648 0.05045 0.16402 0.08535 0.02847 5 2PZ -0.00430 -0.02427 -0.05772 -0.02499 -0.01176 6 3S 0.08919 0.22273 0.99654 0.41648 0.06427 7 3PX 0.05263 0.17244 0.51344 0.20394 0.02052 8 3PY 0.02118 0.02166 0.26558 0.14211 0.09469 9 3PZ -0.01557 -0.04098 -0.10947 -0.05680 -0.02647 10 4XX 0.01548 0.01733 0.07701 0.06229 0.12480 11 4YY 0.00363 0.04008 0.05922 -0.01665 -0.12636 12 4ZZ -0.03077 -0.10712 -0.26983 -0.10900 -0.01378 13 4XY 0.04256 0.12484 0.39730 0.21425 0.12572 14 4XZ -0.01492 -0.00355 -0.15499 -0.09107 -0.04588 15 4YZ -0.01519 -0.08742 -0.15016 -0.04572 0.02197 16 2 C 1S 0.00922 0.03533 0.07403 0.01692 -0.01524 17 2S 0.02259 0.10546 0.17297 0.11503 0.16327 18 2PX 0.00020 -0.03317 -0.05057 0.08899 0.32744 19 2PY 0.01526 0.06390 0.17033 0.06532 -0.04225 20 2PZ -0.00478 -0.05248 -0.03494 -0.00967 -0.02168 21 3S -0.31361 -1.38451 -2.82160 -0.75300 0.49661 22 3PX -0.07738 -0.58903 -0.81403 -0.14005 0.49114 23 3PY -0.00507 0.05875 0.41537 0.13563 -0.17521 24 3PZ 0.00575 0.07338 -0.06682 -0.08159 0.00006 25 4XX -0.02244 -0.23929 -0.30082 0.07246 0.51080 26 4YY -0.02166 0.06686 -0.04243 -0.11338 -0.35425 27 4ZZ 0.05197 0.20328 0.42146 0.05771 -0.16149 28 4XY -0.02817 -0.10942 -0.41931 -0.34097 -0.22123 29 4XZ 0.02026 -0.08140 0.19757 0.12836 -0.03255 30 4YZ 0.02755 0.17495 0.18338 0.04833 0.09659 31 3 C 1S -0.00901 -0.02801 -0.08558 -0.03123 0.01495 32 2S -0.03599 -0.00994 -0.29563 -0.31007 -0.22326 33 2PX -0.00691 -0.06131 -0.01413 0.13020 0.34723 34 2PY 0.00457 0.06344 0.11638 0.00566 -0.06348 35 2PZ -0.00118 0.00106 -0.03557 -0.03009 -0.02260 36 3S 0.40356 1.30648 3.53817 1.48029 -0.43107 37 3PX 0.02142 -0.42737 -0.27384 0.27498 0.57340 38 3PY 0.13627 0.41819 1.08116 0.51568 0.06083 39 3PZ -0.01862 -0.17654 -0.22412 -0.01520 -0.07229 40 4XX 0.03016 0.09254 0.28493 -0.03569 -0.42025 41 4YY 0.00817 0.01594 0.16530 0.18863 0.26379 42 4ZZ -0.05074 -0.10584 -0.50514 -0.15784 0.16016 43 4XY 0.01195 -0.05230 0.06984 0.05615 0.21215 44 4XZ -0.00293 -0.31848 -0.07350 0.10304 -0.04581 45 4YZ -0.01553 -0.19360 -0.20016 -0.02491 -0.07462 46 4 C 1S 0.01200 0.03969 0.03455 0.00667 0.00376 47 2S 0.03066 0.05501 0.30889 0.18886 -0.00313 48 2PX -0.00426 0.02354 0.13173 0.05101 0.05801 49 2PY 0.00074 0.04415 0.09487 -0.00300 0.00191 50 2PZ -0.02237 -0.08207 0.03908 0.06035 0.01436 51 3S -0.38709 -0.95148 -1.77133 -0.89035 -0.16082 52 3PX 0.04900 0.13165 1.12809 0.50244 0.06350 53 3PY 0.07009 -0.01720 0.31150 0.36629 0.23938 54 3PZ -0.10758 0.02957 -0.09238 -0.11471 0.07176 55 4XX -0.00772 -0.24149 -0.29629 -0.08776 -0.14856 56 4YY 0.04286 0.08020 -0.09950 -0.03495 0.05292 57 4ZZ -0.01475 0.26106 0.36713 0.07696 0.11195 58 4XY -0.04377 -0.26536 -0.28740 -0.05303 -0.08480 59 4XZ -0.03065 -0.22582 0.33129 0.25367 0.04626 60 4YZ 0.00454 -0.14973 0.12860 0.13439 -0.03423 61 5 C 1S -0.01099 0.02715 0.01604 -0.05304 0.00457 62 2S -0.04325 0.04376 -0.22535 -0.16096 0.02840 63 2PX -0.00043 -0.15709 0.01835 0.19582 -0.02421 64 2PY 0.00320 -0.08563 -0.03858 0.11829 0.00899 65 2PZ -0.01371 -0.00350 0.09624 0.00191 0.00760 66 3S 0.40308 -1.00676 0.62873 1.81638 -0.31727 67 3PX 0.06440 -0.61288 0.26701 1.09274 0.17851 68 3PY 0.03661 -0.39281 0.52212 0.46717 -0.27585 69 3PZ -0.11918 -0.15763 -0.05819 -0.18855 0.04363 70 4XX 0.04209 -0.37358 -0.05473 0.28001 -0.16264 71 4YY -0.03306 0.04455 0.15106 -0.00939 0.13517 72 4ZZ -0.02259 0.39848 0.03374 -0.33901 0.01874 73 4XY 0.05895 -0.33368 -0.09274 0.42154 -0.03884 74 4XZ 0.07111 0.24565 -0.30874 -0.33259 -0.02649 75 4YZ -0.01632 -0.05864 -0.10425 -0.13581 -0.09011 76 6 C 1S 0.00648 -0.06634 -0.00120 0.07635 0.04933 77 2S 0.00966 -0.04348 0.06560 0.33186 0.01190 78 2PX 0.00131 -0.03764 0.07220 0.03734 -0.36772 79 2PY -0.00062 -0.02620 -0.08294 0.14120 0.21228 80 2PZ -0.02240 0.00985 -0.01045 -0.03264 0.03878 81 3S -0.21666 1.93701 0.55976 -3.37895 -2.08949 82 3PX 0.13819 -0.56749 1.48035 0.01117 -1.56885 83 3PY 0.13681 -0.22262 0.02636 1.21909 0.51427 84 3PZ -0.00375 0.20882 -0.10775 -0.11305 0.18923 85 4XX -0.02163 -0.04618 0.16130 -0.43598 -0.64160 86 4YY 0.01439 0.34361 -0.17443 0.08384 0.31235 87 4ZZ 0.01553 -0.34937 0.02895 0.37588 0.33214 88 4XY -0.01651 0.19851 -0.01275 -0.42846 0.46504 89 4XZ -0.03717 -0.23457 -0.17994 0.18591 0.07368 90 4YZ 0.12771 -0.17835 -0.08548 0.08856 -0.09671 91 7 C 1S -0.00140 0.01667 0.03454 -0.06658 -0.06060 92 2S -0.00512 0.11602 0.17950 -0.15428 -0.04347 93 2PX -0.00608 0.06917 -0.02676 0.13400 -0.37553 94 2PY -0.00374 0.04939 -0.04841 0.08330 0.19733 95 2PZ -0.01518 -0.01622 0.01938 -0.03787 0.03800 96 3S 0.04255 -0.29610 -2.24445 3.42937 3.11583 97 3PX -0.02463 0.36387 0.31240 -0.19779 -0.71514 98 3PY -0.02088 -0.06400 -0.83911 1.00092 0.84833 99 3PZ -0.02458 -0.04300 0.04646 -0.13525 0.00505 100 4XX -0.04639 -0.16757 -0.08033 0.17297 0.46102 101 4YY -0.04672 0.10851 -0.13658 0.07402 -0.05411 102 4ZZ 0.08554 0.16174 0.18419 -0.32896 -0.36929 103 4XY -0.04887 0.06680 0.18620 0.03015 -0.50402 104 4XZ -0.20859 -0.01237 0.04747 -0.10688 -0.10868 105 4YZ -0.09763 0.02007 0.07163 -0.07517 0.04558 106 8 C 1S -0.00205 0.01553 -0.03066 0.03806 0.04733 107 2S -0.01151 0.11880 -0.18527 0.23200 0.13431 108 2PX 0.00145 -0.02967 0.01664 0.19454 -0.27006 109 2PY -0.00420 -0.03822 0.02665 -0.05997 0.11107 110 2PZ -0.04626 0.01568 -0.00431 -0.02454 0.03318 111 3S 0.14400 -0.89834 1.56153 -1.01910 -2.45095 112 3PX 0.09146 -0.33649 -0.20400 1.70447 -0.34892 113 3PY -0.07787 0.60869 -0.62382 0.43568 0.77187 114 3PZ -0.05268 -0.04118 0.13404 -0.37808 -0.05881 115 4XX -0.11192 -0.25896 0.18237 -0.13354 -0.23117 116 4YY -0.01017 0.21754 -0.05037 0.10503 -0.09646 117 4ZZ 0.11738 0.08515 -0.18474 0.16722 0.27854 118 4XY -0.08571 0.00531 -0.00062 -0.37872 0.25764 119 4XZ -0.43171 0.04957 -0.03232 0.13612 0.07423 120 4YZ 0.04736 -0.03856 -0.02892 0.08498 0.02034 121 9 C 1S 0.00517 -0.03562 0.03997 -0.01493 -0.05443 122 2S 0.01270 -0.14263 0.17772 -0.20327 -0.15785 123 2PX 0.01411 -0.05657 0.02931 0.10642 -0.17260 124 2PY 0.00481 -0.01581 0.02762 -0.04387 0.10051 125 2PZ 0.00312 0.01178 -0.01440 -0.01466 0.01521 126 3S -0.25426 1.85794 -1.67704 0.36845 2.29697 127 3PX 0.09814 -0.38775 0.48457 0.27933 -1.05482 128 3PY 0.06265 -0.77206 0.83130 -1.50011 -0.19831 129 3PZ 0.07075 0.19371 -0.21619 0.18052 0.22312 130 4XX -0.11254 -0.18173 0.08745 -0.38629 0.43667 131 4YY 0.05427 0.41133 -0.32346 0.46427 -0.15188 132 4ZZ 0.05310 -0.20146 0.21905 -0.06119 -0.31565 133 4XY 0.01825 -0.08941 0.02545 0.16208 -0.32552 134 4XZ -0.36816 -0.00214 0.05509 0.04428 -0.10895 135 4YZ 0.37162 -0.07848 0.06776 -0.12712 0.02640 136 10 C 1S -0.00609 0.05190 -0.03995 0.02946 0.03235 137 2S -0.00372 0.01665 -0.00482 -0.15418 0.32622 138 2PX -0.01618 -0.06164 0.01346 0.07050 -0.12486 139 2PY -0.00369 -0.16972 0.13726 -0.08522 -0.18465 140 2PZ -0.14457 0.03397 -0.01951 0.00003 0.05036 141 3S 0.20155 -1.70018 1.57755 -1.68083 -0.50841 142 3PX -0.04260 0.23698 -0.20940 0.44487 -0.15641 143 3PY 0.00815 -0.59510 0.50107 -0.67660 -0.55778 144 3PZ -0.19232 0.04104 -0.03109 0.02221 0.11112 145 4XX 0.15665 -0.19894 0.06251 -0.18609 0.13429 146 4YY 0.18964 0.01263 0.06066 0.03423 -0.06482 147 4ZZ -0.35896 0.28588 -0.21051 0.20443 0.03085 148 4XY 0.13607 0.40866 -0.37731 0.37887 -0.07598 149 4XZ 0.41756 0.05012 -0.01730 0.02209 -0.00973 150 4YZ 0.66789 -0.00378 -0.01427 -0.04231 0.02973 151 11 C 1S 0.00359 -0.02478 0.01888 -0.01425 -0.00353 152 2S -0.00042 0.05506 -0.02316 0.15387 -0.15895 153 2PX 0.01173 -0.13044 0.08963 -0.11084 0.03687 154 2PY -0.00739 0.04000 -0.02439 0.04354 -0.01070 155 2PZ -0.02649 0.01652 -0.01111 0.01342 -0.00500 156 3S -0.06792 0.31042 -0.30032 -0.06905 0.37398 157 3PX 0.03437 -0.18790 0.14655 -0.01092 -0.09664 158 3PY -0.01340 0.08677 -0.07191 -0.04598 0.23774 159 3PZ -0.00939 0.02143 -0.01661 0.00858 -0.01823 160 4XX -0.02990 0.26035 -0.17673 0.18397 -0.07324 161 4YY -0.00269 -0.20764 0.16985 -0.19412 0.10172 162 4ZZ 0.04192 -0.12931 0.06562 -0.08029 0.01467 163 4XY -0.01926 -0.06415 -0.00299 -0.00652 -0.08016 164 4XZ 0.02993 -0.07395 0.05227 -0.05478 0.03103 165 4YZ -0.12548 0.01996 -0.01170 0.02020 -0.00012 166 12 H 1S -0.01060 0.06950 -0.06027 0.07342 -0.05118 167 2S 0.00835 -0.05345 0.05692 -0.08503 0.06542 168 13 H 1S -0.04830 0.01504 0.00914 0.03002 -0.03099 169 2S 0.00950 -0.00794 0.00654 0.00575 -0.04319 170 14 H 1S 0.05141 0.01886 0.00565 0.03020 -0.03062 171 2S -0.00840 -0.01049 0.00824 0.00566 -0.04411 172 15 O 1S 0.00035 -0.00262 -0.00077 -0.00077 0.01024 173 2S 0.02588 -0.16551 0.19790 -0.30923 0.27189 174 2PX 0.01373 -0.06719 0.05670 -0.05892 0.06292 175 2PY 0.01559 -0.10029 0.10338 -0.11818 0.02136 176 2PZ 0.00821 0.02760 -0.02753 0.02763 -0.01476 177 3S -0.05610 0.35350 -0.38644 0.63634 -0.75179 178 3PX 0.04917 -0.01400 -0.02663 0.03600 -0.33555 179 3PY 0.03128 0.22092 -0.20647 0.40911 -0.27874 180 3PZ 0.34983 -0.02212 0.02425 -0.06791 0.10272 181 4XX 0.17270 -0.14704 0.03371 -0.13139 0.02966 182 4YY 0.13161 0.11988 -0.04104 0.20048 -0.14039 183 4ZZ -0.29126 -0.06458 0.06252 -0.10989 0.14799 184 4XY 0.18038 -0.06217 0.04588 0.04559 -0.23296 185 4XZ 0.50485 0.04286 -0.02561 -0.00667 0.06399 186 4YZ 0.48142 -0.00780 -0.00998 -0.06481 0.09590 187 16 H 1S 0.00368 0.01341 0.01274 0.01629 0.01947 188 2S -0.01665 0.13837 -0.20474 0.22339 0.14618 189 17 H 1S 0.01440 -0.17067 0.00615 0.01101 0.07391 190 2S -0.00320 0.01723 0.02436 -0.02872 -0.06235 191 18 H 1S 0.00690 -0.00897 0.09420 -0.07326 -0.00820 192 2S -0.02313 0.03128 -0.18291 0.05222 -0.01371 193 19 C 1S 0.00026 0.02568 -0.00674 0.00624 0.00113 194 2S 0.01244 -0.03519 0.07725 0.04945 0.00559 195 2PX -0.00349 -0.01493 -0.01861 -0.03193 -0.00551 196 2PY -0.00418 0.11939 -0.06309 0.01041 0.02242 197 2PZ -0.00289 -0.01404 0.01699 0.00412 -0.00628 198 3S -0.04942 -0.43773 0.03347 -0.20134 -0.01747 199 3PX -0.01731 -0.01049 -0.18234 0.10189 0.22722 200 3PY -0.00298 0.36236 -0.05584 0.11848 0.17813 201 3PZ -0.02019 -0.10237 -0.04172 -0.05701 -0.04506 202 4XX -0.01132 0.13739 -0.07344 0.07137 0.04931 203 4YY 0.02626 -0.22935 0.10086 -0.11059 -0.07539 204 4ZZ -0.01794 0.17173 -0.06887 0.01194 -0.00348 205 4XY 0.00596 0.13583 0.09536 -0.03211 0.16422 206 4XZ -0.02179 0.00792 0.02364 0.00210 -0.02989 207 4YZ 0.06082 0.05270 -0.07507 0.02015 -0.01906 208 20 H 1S -0.00072 -0.00973 -0.03107 -0.03585 -0.09507 209 2S 0.01876 -0.08971 0.10033 -0.03182 -0.14282 210 21 H 1S 0.02285 -0.03728 0.03686 0.01049 0.01016 211 2S -0.01869 -0.03717 -0.12919 -0.00433 0.01097 212 22 H 1S -0.00907 -0.02065 0.07007 0.01876 0.01215 213 2S 0.01858 0.02830 -0.01829 0.02352 -0.00933 214 23 H 1S 0.03450 0.05493 -0.10176 -0.00786 0.03998 215 2S -0.01079 0.06140 -0.02818 0.01989 0.06540 216 24 H 1S -0.00808 -0.08735 -0.04557 0.00437 -0.07560 217 2S -0.01211 0.15009 0.15673 -0.11491 -0.09391 218 25 H 1S 0.00029 -0.03617 0.01971 0.03449 0.01824 219 2S 0.00363 0.11375 -0.03628 0.00332 0.05874 220 26 H 1S -0.00669 -0.04219 0.08402 0.03550 -0.04186 221 2S 0.00844 0.22591 0.24437 -0.02735 -0.07163 222 27 H 1S -0.01404 -0.01429 -0.16351 -0.13136 -0.04656 223 2S 0.01666 0.07850 0.16219 0.08671 0.00827 224 28 C 1S -0.00176 -0.00491 0.00151 0.00723 -0.00347 225 2S 0.00368 -0.00023 0.00844 0.00997 0.04496 226 2PX 0.00417 0.00974 -0.00931 -0.00991 0.02712 227 2PY -0.00887 -0.02287 0.00024 0.02718 -0.02690 228 2PZ 0.00002 -0.00284 0.00144 -0.00511 0.00617 229 3S 0.05688 0.18581 0.09158 -0.08002 0.07745 230 3PX 0.02936 0.12804 0.19404 0.03539 -0.03086 231 3PY -0.01386 0.03774 0.09134 0.04427 -0.11318 232 3PZ 0.01210 -0.04817 -0.02981 0.01251 0.02144 233 4XX 0.00330 0.01382 0.09582 0.08637 0.04471 234 4YY -0.00224 0.01752 -0.11535 -0.13355 -0.06876 235 4ZZ -0.00822 -0.05408 -0.00080 0.05453 0.00650 236 4XY -0.01782 0.00438 -0.01179 -0.04346 -0.17336 237 4XZ 0.00025 -0.02563 -0.00205 0.01000 0.04420 238 4YZ -0.00134 0.05928 0.02893 0.03751 0.04881 239 29 H 1S -0.00110 -0.02522 -0.03422 0.01699 0.08002 240 2S -0.00932 -0.12379 -0.11708 0.00028 0.03429 241 30 H 1S 0.00132 0.00364 -0.00711 -0.01719 -0.02664 242 2S 0.00687 -0.00713 0.03106 0.03188 0.00898 243 31 H 1S -0.00332 -0.00785 -0.00775 -0.02271 -0.02446 244 2S -0.00225 0.01540 0.02646 0.01850 0.02089 245 32 H 1S 0.00123 -0.01840 0.01181 0.04068 0.07227 246 2S -0.01141 -0.04403 -0.10060 -0.03315 0.01771 247 33 H 1S 0.00517 0.05045 0.02066 -0.00615 -0.01435 248 2S 0.00294 -0.00382 -0.00055 0.01258 0.01106 249 34 H 1S 0.00309 -0.00323 0.03012 0.01021 -0.01664 250 2S -0.00190 0.01162 -0.00290 -0.00828 0.01205 231 232 233 234 235 V V V V V Eigenvalues -- 2.90256 2.91616 2.98404 3.06238 3.10898 1 1 C 1S -0.00438 -0.00259 0.00288 0.02982 -0.00364 2 2S 0.02390 0.00031 -0.00126 -0.16097 0.03873 3 2PX 0.00580 0.00813 -0.00847 -0.13157 0.01855 4 2PY 0.02093 0.00938 -0.00917 -0.13882 0.02080 5 2PZ -0.00622 -0.00305 0.00171 0.05031 -0.00855 6 3S 0.03418 0.06653 -0.04749 -0.47018 0.01541 7 3PX 0.06718 0.02490 -0.01975 -0.05769 -0.01285 8 3PY -0.13228 0.00598 -0.02135 -0.26297 0.02948 9 3PZ 0.02670 -0.00268 0.00901 0.07418 -0.00760 10 4XX -0.19773 -0.01618 -0.00258 0.11981 -0.02580 11 4YY 0.20851 0.01948 -0.00256 -0.10546 0.01859 12 4ZZ -0.04419 -0.01038 0.01207 0.10160 -0.01403 13 4XY -0.05170 0.01217 -0.02147 -0.27512 0.03976 14 4XZ 0.02573 -0.00175 0.00804 0.07295 -0.00857 15 4YZ -0.08160 -0.01000 0.00513 0.09780 -0.01778 16 2 C 1S 0.03374 0.00394 -0.00050 0.03555 -0.00822 17 2S -0.19356 -0.01644 -0.01401 -0.05240 0.01262 18 2PX -0.52694 -0.04530 -0.01440 -0.18886 0.03685 19 2PY 0.13382 0.01236 -0.00453 -0.03805 0.00615 20 2PZ 0.00929 0.00138 -0.00023 0.02963 -0.01011 21 3S -1.57815 -0.22195 0.02457 -0.94210 0.24152 22 3PX -1.30010 -0.12273 -0.01523 -0.38937 0.07401 23 3PY 0.52333 0.09835 -0.01051 -0.90822 0.11566 24 3PZ -0.01409 -0.02050 0.01884 0.26318 -0.01993 25 4XX -0.91594 -0.07955 -0.00973 0.02311 -0.00822 26 4YY 0.61232 0.05588 0.00571 -0.17632 0.03145 27 4ZZ 0.28993 0.02636 0.00343 0.22738 -0.04738 28 4XY 0.05109 -0.02534 0.04787 0.87354 -0.14624 29 4XZ 0.11646 0.01828 -0.01629 -0.21910 0.02721 30 4YZ -0.12036 -0.00455 -0.00181 0.04178 -0.00544 31 3 C 1S -0.03137 -0.00450 0.00177 -0.08157 0.02287 32 2S 0.20677 0.02170 0.04745 0.01124 -0.00328 33 2PX -0.52339 -0.03363 -0.01262 -0.10013 0.00539 34 2PY 0.09764 0.01036 0.00001 0.04027 -0.01587 35 2PZ 0.02244 -0.00138 0.00324 -0.00920 0.00630 36 3S 1.47699 0.17072 -0.14614 2.15116 -0.56219 37 3PX -1.48181 -0.19479 -0.08438 0.57373 -0.12493 38 3PY 0.09530 0.04338 -0.05127 1.00430 -0.24064 39 3PZ 0.08836 0.01148 -0.01838 -0.27667 0.03310 40 4XX 0.69912 0.05168 0.02106 0.55881 -0.10297 41 4YY -0.36231 -0.02230 -0.03640 -0.39551 0.07355 42 4ZZ -0.28420 -0.03456 0.00566 -0.39004 0.10906 43 4XY -0.51949 -0.05503 0.00469 0.68035 -0.14479 44 4XZ 0.06090 0.00316 -0.02394 -0.26521 0.02800 45 4YZ 0.08786 -0.00583 -0.00105 -0.04739 0.00933 46 4 C 1S -0.02063 -0.00200 -0.00239 0.05748 -0.01111 47 2S 0.03945 0.00528 -0.04598 -0.09336 0.00118 48 2PX -0.05902 -0.01317 0.01124 0.21394 -0.04151 49 2PY -0.03583 0.00445 0.00626 0.17826 -0.04363 50 2PZ 0.03077 0.00672 -0.00053 -0.03794 -0.00747 51 3S 0.58711 0.03578 0.23709 -1.51339 0.38542 52 3PX 0.00554 0.10188 -0.03980 0.72764 -0.27425 53 3PY -0.32172 -0.14577 -0.00913 0.61377 -0.04975 54 3PZ 0.18415 -0.00453 0.07775 -0.13464 0.06426 55 4XX 0.17792 0.01065 0.01009 0.01223 -0.00853 56 4YY -0.21702 -0.04489 -0.01484 -0.11871 0.03539 57 4ZZ -0.01933 0.03251 0.01855 0.30736 -0.07269 58 4XY 0.16723 0.00499 -0.00393 -0.43843 0.10175 59 4XZ -0.02891 -0.01373 -0.00878 0.22407 -0.08244 60 4YZ 0.10738 0.02152 -0.00032 0.17518 -0.07291 61 5 C 1S -0.00636 0.00296 0.01367 0.00007 0.02420 62 2S 0.01465 0.01827 0.03345 -0.11880 -0.14211 63 2PX 0.05053 0.03721 -0.03719 0.02379 -0.15186 64 2PY 0.02497 0.00937 -0.01385 0.00105 -0.08611 65 2PZ 0.01268 -0.00944 0.00683 0.05507 0.02274 66 3S -0.11895 0.17575 -0.64988 0.56464 -0.43630 67 3PX 0.14937 -0.09174 -0.16721 0.46736 -0.12855 68 3PY -0.14795 0.18422 -0.29389 0.12905 -0.37068 69 3PZ 0.13225 0.06484 0.13117 -0.10758 0.04182 70 4XX -0.00627 -0.13717 -0.05534 0.03418 -0.00184 71 4YY 0.12419 0.13011 0.04197 0.08689 -0.03274 72 4ZZ -0.16141 0.02312 0.03058 -0.08223 0.13664 73 4XY 0.06942 0.06929 -0.09146 0.02125 -0.30011 74 4XZ -0.00876 0.00189 0.03051 -0.13303 0.11584 75 4YZ -0.05075 -0.02702 0.00160 -0.10172 0.07528 76 6 C 1S 0.04181 -0.01870 0.01403 0.03256 0.02880 77 2S 0.07486 -0.19744 0.00107 0.15548 -0.09339 78 2PX -0.18307 -0.20753 -0.12466 -0.06617 -0.20273 79 2PY 0.11556 0.09556 0.06609 0.03533 0.00120 80 2PZ 0.00724 0.02253 0.01219 -0.00815 0.03739 81 3S -1.78278 0.42876 -0.68893 -1.39832 -0.99610 82 3PX -1.15904 0.25148 -0.98540 0.02360 -0.73745 83 3PY 0.48345 0.68004 -0.32099 0.49278 -0.64991 84 3PZ 0.10718 -0.16061 0.19903 0.05125 0.19496 85 4XX -0.41773 -0.39352 -0.11701 -0.13444 0.35038 86 4YY 0.17135 0.39658 0.00770 -0.04505 -0.47168 87 4ZZ 0.24146 -0.07224 0.09497 0.16770 0.18696 88 4XY 0.22623 0.07677 0.26053 0.08522 0.68968 89 4XZ 0.13800 0.05425 0.00594 -0.01661 -0.12930 90 4YZ -0.00582 -0.09559 -0.02685 -0.00819 0.00150 91 7 C 1S -0.05200 0.03549 -0.03134 -0.03199 -0.07807 92 2S -0.09160 0.23250 0.01901 0.01938 0.10268 93 2PX -0.18755 -0.23672 -0.13459 -0.03956 0.01814 94 2PY 0.13424 0.04696 0.00241 0.05730 0.09776 95 2PZ 0.00675 0.03516 0.02304 -0.00015 -0.02081 96 3S 2.75517 -1.87027 1.26005 1.36092 2.51062 97 3PX -0.43624 -1.27000 -0.10472 -0.05534 0.57608 98 3PY 0.72113 -0.55455 0.82517 0.32879 1.04771 99 3PZ -0.02865 0.31536 -0.10451 -0.07434 -0.25431 100 4XX 0.31380 -0.04335 0.20966 0.22064 0.76519 101 4YY -0.01523 -0.00529 -0.12471 -0.15026 -0.66382 102 4ZZ -0.29043 0.11686 -0.15930 -0.14226 -0.33600 103 4XY -0.24436 -0.54512 -0.14546 0.01818 0.28495 104 4XZ -0.07975 0.12742 -0.05557 -0.07823 -0.28296 105 4YZ -0.01413 0.12842 0.02051 -0.00047 -0.00038 106 8 C 1S 0.04051 -0.07672 0.01323 0.01334 0.02574 107 2S 0.10814 -0.03723 0.05314 0.04889 0.00001 108 2PX -0.12801 0.04977 -0.06345 0.07573 0.36312 109 2PY 0.07011 -0.17681 0.05635 0.00900 0.03775 110 2PZ 0.01211 0.01707 0.00273 -0.01325 -0.07144 111 3S -1.85666 3.32079 -1.55371 -0.33820 -0.71077 112 3PX 0.07022 -0.07874 -0.13897 0.61574 1.54791 113 3PY 0.65445 -1.50356 0.39810 0.16296 0.54263 114 3PZ -0.11468 0.24646 -0.03617 -0.13497 -0.36795 115 4XX -0.21173 0.55790 -0.03567 -0.00968 0.05416 116 4YY -0.00289 -0.24382 -0.07803 -0.01969 -0.07497 117 4ZZ 0.21624 -0.36529 0.06121 0.05007 0.06607 118 4XY 0.10130 -0.14210 0.08044 -0.17375 -0.68426 119 4XZ 0.07824 -0.17710 0.00973 0.04452 0.11635 120 4YZ 0.02636 0.00005 0.01112 0.04263 0.15734 121 9 C 1S -0.03651 0.02550 -0.01547 -0.00443 -0.00673 122 2S -0.14775 0.30455 -0.17336 -0.06024 -0.14364 123 2PX -0.10815 0.28230 -0.04734 0.05402 0.23354 124 2PY 0.08207 -0.33599 0.08866 -0.02324 -0.12072 125 2PZ 0.00736 0.00028 -0.00477 -0.00825 -0.02392 126 3S 1.63797 -2.75518 0.97153 0.00640 -0.26510 127 3PX -0.65334 1.03300 -0.98567 0.12304 0.36839 128 3PY -0.42169 0.72589 0.01919 -0.42422 -0.98654 129 3PZ 0.18334 -0.29909 0.17484 0.04519 0.08472 130 4XX 0.22872 -0.43609 0.21783 -0.08841 -0.36216 131 4YY -0.03084 0.17394 -0.17849 0.09745 0.30581 132 4ZZ -0.20420 0.14837 -0.05548 -0.01803 -0.01192 133 4XY -0.18953 0.16670 -0.00203 0.01972 0.07905 134 4XZ -0.06499 0.09955 -0.05784 0.01250 0.06096 135 4YZ 0.00197 -0.03305 0.02072 -0.02610 -0.07004 136 10 C 1S 0.02738 -0.03997 -0.01980 0.00782 0.01350 137 2S 0.22894 -0.46216 -1.20147 0.06587 -0.02146 138 2PX -0.09572 0.27140 0.71765 -0.02822 0.02375 139 2PY -0.15542 0.19688 0.86991 -0.08672 -0.14061 140 2PZ 0.04065 -0.07837 -0.25998 0.01734 0.01734 141 3S -0.59403 0.81305 -1.56899 -0.25795 -0.68544 142 3PX -0.04135 -0.22259 1.12310 -0.00841 0.05914 143 3PY -0.56357 1.21554 0.69660 -0.24273 -0.31506 144 3PZ 0.09185 -0.14273 -0.30684 0.03802 0.03640 145 4XX 0.01623 0.58779 -0.43557 0.04630 0.19632 146 4YY 0.01594 -0.63145 0.15712 -0.04220 -0.20236 147 4ZZ 0.04109 -0.02268 0.32762 0.00810 0.04883 148 4XY 0.01458 0.07044 -0.62378 0.08792 0.17401 149 4XZ 0.00338 -0.13904 0.26441 -0.02160 -0.05883 150 4YZ 0.00208 0.09178 0.15177 -0.00866 0.01088 151 11 C 1S -0.00565 0.02390 -0.02143 0.00124 0.00763 152 2S -0.07439 -0.04115 0.12451 0.00445 0.00456 153 2PX -0.00057 0.10521 -0.05404 -0.00244 0.00932 154 2PY 0.00403 -0.05365 0.00591 0.00444 0.00095 155 2PZ -0.00056 -0.01062 0.00873 -0.00004 -0.00186 156 3S 0.22878 -0.05936 -0.20327 0.00635 -0.02270 157 3PX -0.06502 0.05993 -0.02526 0.01197 0.04356 158 3PY 0.16920 -0.35241 -0.01290 -0.00299 -0.07742 159 3PZ -0.01365 0.04209 0.00686 -0.00263 0.00445 160 4XX -0.00957 -0.12278 0.04924 0.00199 -0.01083 161 4YY 0.03476 0.00621 -0.06783 -0.00831 -0.01515 162 4ZZ -0.01335 0.17574 -0.12875 0.00961 0.04982 163 4XY -0.07663 0.37838 -0.18471 0.01714 0.08885 164 4XZ 0.01131 0.00360 -0.00849 -0.00109 -0.00121 165 4YZ 0.00563 -0.03865 0.02278 -0.00032 -0.00456 166 12 H 1S -0.02230 0.01789 0.00869 0.00375 0.01131 167 2S 0.03869 -0.14167 0.06416 -0.02036 -0.07363 168 13 H 1S -0.01076 -0.05587 0.03005 -0.00050 -0.00642 169 2S -0.03208 0.06854 0.01161 -0.00295 0.00688 170 14 H 1S -0.01063 -0.05619 0.02992 0.00022 -0.00648 171 2S -0.03254 0.06940 0.01132 -0.00282 0.00637 172 15 O 1S 0.00827 0.00141 -0.02158 0.00304 -0.00244 173 2S 0.16017 -0.41163 -0.75624 0.01537 -0.05238 174 2PX 0.03269 -0.02796 0.15322 -0.00742 -0.02938 175 2PY -0.00760 -0.02667 0.19920 -0.02885 -0.05208 176 2PZ -0.00477 0.00926 -0.05731 0.00475 0.01334 177 3S -0.50979 0.99377 2.93830 -0.14859 0.06270 178 3PX -0.28226 0.67282 1.04175 -0.09111 0.02195 179 3PY -0.13893 0.12743 1.32864 -0.04008 0.00194 180 3PZ 0.07205 -0.14060 -0.38843 0.02426 -0.00469 181 4XX -0.04198 0.57856 0.07116 0.00455 0.07467 182 4YY -0.03482 -0.31220 0.68026 -0.03727 -0.12368 183 4ZZ 0.09538 -0.15345 -0.39469 0.02008 -0.01272 184 4XY -0.17744 0.30834 1.03761 -0.06786 -0.02946 185 4XZ 0.05888 -0.20594 -0.27258 0.01388 -0.01345 186 4YZ 0.05782 -0.03419 -0.39049 0.02400 0.02441 187 16 H 1S 0.01849 0.00880 0.01356 0.01443 0.04982 188 2S 0.13931 -0.23001 0.16928 0.05187 0.10251 189 17 H 1S 0.02595 0.11937 0.05563 0.02187 0.02993 190 2S -0.06624 0.25504 -0.04678 -0.04219 -0.22024 191 18 H 1S -0.01935 0.02463 0.01731 0.06137 0.29027 192 2S -0.04512 0.06895 0.39843 -0.08543 0.01802 193 19 C 1S -0.00034 0.02809 -0.00971 -0.00724 -0.04467 194 2S -0.01104 -0.12623 0.00183 0.07000 0.09424 195 2PX 0.00576 -0.04977 0.01879 -0.01219 0.02854 196 2PY 0.01834 0.15172 -0.03626 -0.04266 -0.19210 197 2PZ -0.00161 -0.01246 0.00115 0.01061 0.02320 198 3S -0.02871 -0.59387 0.32613 -0.00255 0.75748 199 3PX 0.14212 -0.03650 0.13011 0.01250 0.11359 200 3PY 0.07083 0.31314 -0.09222 0.01924 -0.48842 201 3PZ -0.03625 -0.04020 0.00142 -0.05905 0.06472 202 4XX 0.02604 0.17576 -0.03343 -0.04248 -0.24648 203 4YY -0.03265 -0.14590 0.03037 0.02556 0.30590 204 4ZZ -0.00707 0.09500 -0.03137 -0.04809 -0.22223 205 4XY 0.06287 0.17043 0.01042 0.04480 -0.00034 206 4XZ -0.01108 -0.03939 -0.00049 -0.00778 0.00484 207 4YZ -0.00085 0.01054 -0.01214 -0.01611 -0.09082 208 20 H 1S -0.04561 -0.06976 -0.01967 -0.02967 -0.02137 209 2S -0.07043 0.01510 -0.05409 0.00928 0.12446 210 21 H 1S -0.00659 0.02286 -0.01112 0.02859 0.01895 211 2S 0.02490 -0.01408 0.01085 -0.07452 0.01751 212 22 H 1S 0.00098 0.01979 -0.01053 0.02270 0.02681 213 2S 0.00863 -0.00276 -0.00343 0.01004 -0.01843 214 23 H 1S 0.05662 -0.02107 0.02065 0.02239 -0.01179 215 2S -0.05118 -0.08273 0.00962 0.03503 0.05088 216 24 H 1S -0.09035 0.02282 -0.01649 -0.07313 -0.08793 217 2S -0.00026 -0.00093 -0.08277 0.02517 -0.03974 218 25 H 1S -0.06571 -0.02987 -0.01031 -0.02971 0.02063 219 2S 0.03947 -0.04235 0.01760 0.06257 0.03964 220 26 H 1S 0.13700 0.03761 -0.00123 -0.00113 -0.00615 221 2S 0.04742 0.07198 -0.02602 -0.01209 -0.07504 222 27 H 1S 0.02438 -0.00673 0.02380 0.22609 -0.02689 223 2S 0.08529 0.03775 -0.00113 -0.01375 -0.01360 224 28 C 1S 0.01697 0.00305 -0.00179 -0.05134 0.00800 225 2S -0.06835 -0.01430 0.01038 0.14925 -0.01996 226 2PX -0.06082 -0.00987 0.00365 0.09509 -0.01307 227 2PY 0.09969 0.01311 -0.00549 -0.21580 0.03787 228 2PZ -0.02221 -0.00370 0.00191 0.05185 -0.00938 229 3S -0.36882 -0.05348 0.00113 0.90750 -0.14906 230 3PX 0.06923 0.00879 -0.00436 0.21220 -0.04099 231 3PY 0.31328 0.04508 -0.01301 -0.44119 0.05926 232 3PZ -0.08936 -0.00735 -0.00552 0.10333 -0.02090 233 4XX 0.01916 0.01135 -0.01388 -0.26662 0.04310 234 4YY -0.02079 -0.00781 0.01500 0.27925 -0.04709 235 4ZZ 0.04434 0.00901 -0.01130 -0.22085 0.03305 236 4XY 0.29112 0.02865 -0.00011 -0.16267 0.02549 237 4XZ -0.07657 -0.00930 0.00128 0.04683 -0.00696 238 4YZ -0.00711 0.00332 -0.00496 -0.15856 0.03038 239 29 H 1S -0.12499 -0.01140 -0.00195 -0.01293 0.00094 240 2S -0.06637 -0.01622 0.01194 0.04648 0.00991 241 30 H 1S 0.02416 0.00340 0.00167 0.02650 -0.00614 242 2S 0.00218 0.00328 -0.00470 -0.02560 0.00177 243 31 H 1S 0.02388 0.00084 0.00450 0.02728 -0.00366 244 2S -0.00194 -0.00007 0.00066 -0.02372 0.00480 245 32 H 1S -0.07826 -0.00326 -0.00219 -0.07090 0.01201 246 2S -0.08149 -0.01579 -0.00265 -0.00703 0.00744 247 33 H 1S 0.03388 0.00107 0.00040 -0.01356 0.00677 248 2S -0.01516 -0.00274 -0.00233 0.03023 -0.00630 249 34 H 1S 0.03398 0.00074 -0.00092 -0.01099 0.00402 250 2S -0.01502 -0.00238 0.00306 0.02290 -0.00181 236 237 238 239 240 V V V V V Eigenvalues -- 3.23856 3.98860 4.08620 4.10923 4.15343 1 1 C 1S -0.00028 -0.00051 -0.07575 -0.16965 -0.13411 2 2S 0.00183 0.00414 0.51595 1.06718 0.76108 3 2PX 0.00204 -0.00000 0.01697 0.02898 0.01388 4 2PY 0.00215 0.00003 0.01547 0.03150 0.01713 5 2PZ -0.00091 0.00022 -0.00535 -0.01066 -0.00607 6 3S 0.01446 -0.00363 0.11938 0.42796 0.59638 7 3PX 0.00212 0.00154 -0.09188 -0.13266 -0.02545 8 3PY 0.00031 -0.00583 -0.06726 -0.09939 -0.00383 9 3PZ 0.00014 0.00051 0.02453 0.04121 0.00605 10 4XX -0.00261 -0.00135 -0.29624 -0.63539 -0.48582 11 4YY 0.00115 -0.00312 -0.28306 -0.61065 -0.46973 12 4ZZ 0.00025 -0.00226 -0.30203 -0.67177 -0.52008 13 4XY 0.00268 -0.00015 0.02826 0.06232 0.03832 14 4XZ 0.00009 0.00003 -0.00829 -0.02131 -0.01460 15 4YZ -0.00059 0.00020 -0.00974 -0.02545 -0.01981 16 2 C 1S -0.00015 0.00062 -0.12617 -0.24821 -0.13982 17 2S -0.00240 0.00147 0.77735 1.53306 0.80838 18 2PX -0.00380 -0.00315 0.04518 0.01063 -0.09029 19 2PY -0.00164 0.00100 0.00455 0.01832 0.00906 20 2PZ 0.00025 -0.00048 -0.00733 -0.00353 0.00892 21 3S -0.04214 -0.04400 0.39005 0.69037 0.48928 22 3PX -0.01963 -0.03107 -0.05612 -0.02072 0.17438 23 3PY 0.03164 -0.00179 -0.07037 -0.23834 -0.05455 24 3PZ -0.00562 0.00245 0.02293 0.05097 -0.00362 25 4XX -0.00556 -0.00345 -0.44298 -0.94614 -0.60038 26 4YY 0.00592 0.00139 -0.43627 -0.86493 -0.46548 27 4ZZ -0.00145 0.00265 -0.48072 -0.94793 -0.52970 28 4XY -0.00811 0.00180 0.00534 0.01835 0.02419 29 4XZ 0.00154 -0.00074 -0.00976 -0.00827 0.00488 30 4YZ 0.00021 0.00034 -0.01487 -0.02963 -0.02517 31 3 C 1S 0.00261 0.00001 -0.12101 -0.14798 0.04583 32 2S 0.00663 -0.01196 0.88317 1.02697 -0.22666 33 2PX -0.00183 0.00077 -0.02782 -0.11528 -0.12941 34 2PY -0.00431 0.00024 0.01942 0.01892 -0.00095 35 2PZ 0.00085 -0.00093 -0.00732 -0.00241 0.01493 36 3S -0.06004 0.04652 -0.03251 0.23162 -0.16875 37 3PX -0.09717 -0.02766 -0.04538 0.21918 0.28835 38 3PY -0.00984 0.01850 -0.08809 0.14120 0.12321 39 3PZ 0.00563 0.00165 0.03309 -0.03266 -0.06161 40 4XX -0.00145 0.01141 -0.46986 -0.50380 0.23719 41 4YY -0.00069 0.00205 -0.47941 -0.58198 0.13424 42 4ZZ 0.00993 0.00021 -0.47255 -0.57023 0.17439 43 4XY -0.01875 0.00142 0.01408 -0.00231 -0.06223 44 4XZ -0.00102 -0.00247 -0.01491 -0.00542 0.02399 45 4YZ -0.00055 0.00025 0.00253 0.00461 0.01738 46 4 C 1S -0.00186 -0.00417 -0.13334 -0.09200 0.14370 47 2S -0.02670 0.02816 0.76359 0.54291 -0.80664 48 2PX -0.00854 0.00237 -0.00134 -0.04809 -0.03795 49 2PY 0.00270 0.00115 0.00039 -0.02029 -0.01396 50 2PZ -0.00114 0.00099 0.01878 0.00245 -0.01199 51 3S 0.13081 -0.01337 0.55169 0.21766 -0.62601 52 3PX 0.02245 0.00006 -0.12233 0.18245 0.22232 53 3PY -0.08686 -0.00988 -0.13243 0.02705 0.11850 54 3PZ 0.00944 -0.00168 -0.00001 0.00013 0.01934 55 4XX 0.01376 -0.01495 -0.46565 -0.32178 0.53532 56 4YY -0.00966 -0.02298 -0.49393 -0.34309 0.53791 57 4ZZ 0.00375 -0.00936 -0.47138 -0.34028 0.50371 58 4XY 0.00874 -0.00167 0.05261 0.04304 -0.01923 59 4XZ -0.02108 0.00451 0.01106 -0.00969 -0.03731 60 4YZ -0.00540 0.00136 -0.01313 -0.01062 0.01012 61 5 C 1S 0.00856 -0.01995 -0.13318 -0.01582 0.18277 62 2S 0.04003 0.12410 0.80902 0.03783 -0.99191 63 2PX -0.00104 0.01303 0.01737 -0.02155 0.00048 64 2PY -0.01741 -0.00214 0.01956 -0.01696 -0.01673 65 2PZ -0.00332 0.00054 -0.01979 -0.01405 0.00887 66 3S -0.03392 0.18750 0.29244 0.26265 -0.77697 67 3PX -0.07685 0.05898 -0.01488 0.16473 -0.04716 68 3PY 0.00920 0.02691 -0.01034 0.16906 0.00150 69 3PZ 0.07093 -0.01916 0.01547 0.04855 0.03915 70 4XX -0.07031 -0.06749 -0.46276 -0.04385 0.64114 71 4YY 0.02649 -0.08264 -0.51260 -0.05632 0.67346 72 4ZZ 0.04564 -0.07269 -0.47384 -0.03212 0.64758 73 4XY -0.03610 0.00671 0.06074 -0.01213 -0.05049 74 4XZ 0.02638 -0.00238 0.02163 0.02130 -0.02696 75 4YZ 0.01137 -0.00173 -0.01719 0.00605 0.02005 76 6 C 1S 0.00058 -0.00742 -0.19607 0.04779 0.18348 77 2S -0.12605 0.07717 1.25208 -0.31356 -0.97219 78 2PX -0.22455 -0.03082 0.04891 -0.09607 0.10358 79 2PY 0.05109 -0.00785 -0.00685 0.01243 -0.04197 80 2PZ 0.03180 0.00720 0.00188 0.01059 -0.02212 81 3S -0.47741 -0.21804 0.21769 0.01740 -0.88462 82 3PX -0.28986 -0.08642 -0.17113 0.40673 -0.31326 83 3PY 0.63655 0.42002 -0.01810 0.10108 0.04971 84 3PZ -0.06525 -0.04888 0.00475 -0.07759 0.06845 85 4XX -0.16619 -0.07470 -0.72085 0.13888 0.72808 86 4YY 0.07282 -0.03292 -0.67763 0.16460 0.58738 87 4ZZ 0.02933 -0.02473 -0.76057 0.18130 0.69396 88 4XY 0.24709 0.02848 -0.00339 0.04071 -0.08328 89 4XZ 0.00540 0.00428 -0.01393 -0.00033 0.01606 90 4YZ -0.04815 -0.00421 -0.01375 -0.00210 0.03543 91 7 C 1S 0.01212 0.01567 -0.19360 0.15960 -0.08522 92 2S 0.04613 -0.15432 1.29596 -0.98418 0.37105 93 2PX -0.24564 -0.03886 -0.01835 -0.05672 0.18795 94 2PY -0.01851 0.01869 0.04248 -0.00918 -0.02832 95 2PZ 0.04642 0.00338 -0.00206 0.01426 -0.02876 96 3S -0.51577 0.06260 0.48474 -0.64666 0.67170 97 3PX -1.48379 -0.48352 -0.09129 0.15033 -0.40809 98 3PY -0.40317 -0.35070 0.11605 -0.16493 0.08409 99 3PZ 0.33215 0.14300 0.00669 -0.01216 0.04693 100 4XX 0.17025 0.07128 -0.69802 0.59576 -0.31861 101 4YY -0.18704 0.07915 -0.72541 0.57537 -0.26906 102 4ZZ 0.01558 0.05882 -0.74217 0.60935 -0.31977 103 4XY -0.48713 -0.07489 0.00685 -0.04693 0.11916 104 4XZ 0.05032 0.00974 -0.01559 0.01218 -0.01460 105 4YZ 0.12943 0.01030 -0.00248 0.01494 -0.03325 106 8 C 1S -0.08098 0.03655 -0.19259 0.19195 -0.21593 107 2S 0.14181 -0.39274 1.23168 -1.21376 1.32903 108 2PX 0.16473 -0.08924 -0.06155 0.03622 0.01788 109 2PY -0.09380 0.05449 0.00322 -0.00448 0.01009 110 2PZ -0.01624 0.00784 0.01064 -0.00623 -0.00535 111 3S 2.65010 0.14373 0.45521 -0.37685 0.62720 112 3PX -0.23684 -0.38957 0.13078 -0.00676 -0.13359 113 3PY -1.08381 -0.25653 -0.16313 0.04423 0.02843 114 3PZ 0.21007 0.10946 0.00041 -0.00175 0.02411 115 4XX 0.68359 0.15260 -0.71701 0.74024 -0.86063 116 4YY -0.58135 0.16701 -0.72288 0.71351 -0.79837 117 4ZZ -0.36647 0.14438 -0.73938 0.74185 -0.83858 118 4XY 0.03522 0.06238 0.04938 -0.05142 0.02823 119 4XZ -0.23150 -0.01198 -0.01339 0.00837 0.00025 120 4YZ 0.02616 -0.01582 -0.01245 0.01408 -0.01326 121 9 C 1S 0.08187 0.19969 -0.07527 0.07623 -0.10905 122 2S -0.27739 -1.25751 0.56387 -0.53118 0.70078 123 2PX 0.18675 -0.02400 -0.07524 0.08288 -0.09198 124 2PY -0.02464 0.03020 0.03544 -0.04755 0.07311 125 2PZ -0.02994 -0.00035 0.00844 -0.00783 0.00529 126 3S -1.73738 -0.68960 -0.13263 -0.09662 0.39132 127 3PX 0.71158 -0.53017 -0.06954 0.14436 -0.15106 128 3PY 0.46549 0.30959 0.00532 0.00989 -0.06240 129 3PZ -0.20059 0.04876 0.01131 -0.02858 0.03564 130 4XX 0.08569 0.77269 -0.25639 0.23530 -0.33872 131 4YY -0.17581 0.65198 -0.30325 0.30761 -0.44784 132 4ZZ 0.41359 0.79757 -0.29221 0.29429 -0.42192 133 4XY 0.81390 0.05716 -0.02886 0.03164 -0.02260 134 4XZ -0.05817 -0.00338 -0.00298 0.00781 -0.01387 135 4YZ -0.04655 0.01555 0.00752 -0.00822 0.00812 136 10 C 1S -0.03756 0.23652 -0.00721 -0.01196 0.04660 137 2S 0.46964 -1.83056 -0.04227 0.14269 -0.32746 138 2PX -0.26709 -0.07220 -0.02996 0.03370 -0.05104 139 2PY -0.07468 -0.10549 0.03188 -0.02635 0.02753 140 2PZ 0.05887 0.02885 0.00068 -0.00225 0.00459 141 3S 1.28320 -1.60207 -0.27325 0.34101 -0.43714 142 3PX -0.39358 1.08573 0.52149 -0.47805 0.41946 143 3PY -0.04317 1.25115 0.29994 -0.23251 0.10370 144 3PZ 0.07802 -0.38415 -0.13900 0.12166 -0.08991 145 4XX -0.66280 1.06521 -0.00001 -0.06058 0.15910 146 4YY 0.67318 1.06773 0.04136 -0.12184 0.29640 147 4ZZ -0.27669 1.02748 0.00982 -0.07677 0.19798 148 4XY 0.33274 0.14700 -0.01312 0.00229 0.01862 149 4XZ 0.02414 -0.03184 0.00407 -0.00360 0.00495 150 4YZ -0.23045 -0.03490 -0.00304 0.00758 -0.02085 151 11 C 1S -0.02546 0.10407 0.00328 -0.02050 0.07370 152 2S 0.19885 -0.52808 0.04847 0.06709 -0.38389 153 2PX -0.13471 0.06126 0.00495 -0.00640 0.00497 154 2PY 0.04601 -0.02055 -0.00403 0.00422 -0.00100 155 2PZ 0.01719 -0.00779 -0.00031 0.00057 -0.00061 156 3S -0.02498 -0.66062 -0.28823 0.32219 -0.53184 157 3PX -0.04207 -0.03997 0.09320 -0.07201 0.04903 158 3PY 0.00082 -0.29705 -0.11495 0.08720 -0.06036 159 3PZ 0.00684 0.05204 0.00100 -0.00091 -0.00043 160 4XX 0.17432 0.26843 -0.00506 -0.05919 0.25731 161 4YY -0.16889 0.35288 -0.01271 -0.05712 0.26168 162 4ZZ -0.16056 0.42153 0.00396 -0.07414 0.28168 163 4XY -0.09917 0.10537 0.02228 -0.01840 0.01315 164 4XZ -0.05519 0.01601 -0.00159 -0.00026 0.00323 165 4YZ 0.01818 -0.00652 -0.00107 0.00025 0.00116 166 12 H 1S 0.03924 -0.01272 0.01269 -0.00656 -0.00860 167 2S 0.01947 -0.00054 -0.02577 -0.00018 0.06124 168 13 H 1S 0.05597 -0.05444 0.00787 0.00059 -0.01659 169 2S -0.02152 0.21634 0.02561 -0.04164 0.09505 170 14 H 1S 0.05576 -0.05457 0.00772 0.00067 -0.01645 171 2S -0.02070 0.21664 0.02552 -0.04111 0.09572 172 15 O 1S 0.01708 -0.38894 -0.09225 0.08455 -0.07382 173 2S 0.08483 -0.42144 -0.10743 0.10422 -0.09950 174 2PX -0.09528 -0.19254 -0.02191 0.02552 -0.03544 175 2PY -0.10566 -0.24129 -0.02479 0.03135 -0.04505 176 2PZ 0.03292 0.07077 0.00773 -0.00935 0.01290 177 3S -0.89937 4.89387 1.29684 -1.18522 1.00919 178 3PX -0.56534 0.57045 0.14828 -0.12039 0.06535 179 3PY -0.18789 0.71014 0.22553 -0.20663 0.17672 180 3PZ 0.12987 -0.20892 -0.06069 0.05271 -0.03796 181 4XX -0.40309 -1.29136 -0.29798 0.28160 -0.26803 182 4YY 0.26545 -1.28929 -0.28397 0.26254 -0.23133 183 4ZZ 0.07740 -1.33208 -0.30333 0.27829 -0.24400 184 4XY -0.36931 0.02037 0.02671 -0.01546 -0.00812 185 4XZ 0.16100 -0.01232 -0.00553 0.00179 0.00613 186 4YZ 0.03868 -0.01147 -0.00854 0.00573 -0.00034 187 16 H 1S -0.28502 -0.04982 0.05534 -0.04880 0.04655 188 2S 0.01361 0.25356 -0.01577 0.00247 -0.01740 189 17 H 1S 0.21906 -0.00862 0.10066 -0.08139 0.06778 190 2S 0.06445 0.13326 -0.05999 0.11873 -0.22436 191 18 H 1S 0.10220 -0.00649 0.10989 -0.08446 0.02847 192 2S -0.31103 -0.34211 -0.13846 0.12408 -0.12799 193 19 C 1S 0.00640 0.00053 -0.15093 0.03190 0.17727 194 2S -0.04358 0.02095 0.94822 -0.19270 -1.05649 195 2PX -0.01925 -0.00603 0.01299 -0.01572 0.00746 196 2PY 0.03210 0.00467 -0.04584 0.01280 0.02233 197 2PZ -0.00142 -0.00000 0.00265 -0.00171 -0.00373 198 3S -0.34155 -0.21667 0.53720 -0.16134 -0.68279 199 3PX 0.03544 0.02518 -0.00469 -0.02469 0.01924 200 3PY 0.13558 0.12876 0.07867 -0.00610 -0.10471 201 3PZ -0.01969 -0.02071 0.00927 0.01114 -0.00516 202 4XX 0.03441 0.00166 -0.60117 0.12101 0.68836 203 4YY 0.01940 -0.00767 -0.51512 0.11111 0.61427 204 4ZZ -0.00269 -0.00770 -0.58869 0.11980 0.69954 205 4XY 0.05862 0.00122 -0.02674 0.02400 -0.00206 206 4XZ -0.01562 -0.00195 0.00436 -0.00640 0.00469 207 4YZ -0.01465 -0.00029 -0.01018 -0.00106 0.01694 208 20 H 1S -0.02354 0.00699 0.06167 -0.01540 -0.05466 209 2S 0.01144 -0.06052 -0.14177 0.02494 0.21773 210 21 H 1S 0.02198 0.00984 0.05098 -0.00560 -0.06436 211 2S 0.00738 0.00524 -0.13281 0.04012 0.16792 212 22 H 1S 0.02148 0.00981 0.05088 -0.00928 -0.06285 213 2S 0.00202 0.00346 -0.16016 0.03654 0.19127 214 23 H 1S -0.01924 0.00196 0.07217 0.00037 -0.07343 215 2S -0.03853 -0.01546 -0.14518 -0.05744 0.17124 216 24 H 1S 0.00361 -0.00383 0.05654 0.01292 -0.05042 217 2S -0.00709 0.01103 -0.10698 -0.01915 0.18567 218 25 H 1S -0.01483 0.00103 0.06156 0.02081 -0.06581 219 2S -0.02552 0.00045 -0.16536 -0.11819 0.14345 220 26 H 1S 0.01288 0.00530 0.05866 0.04962 -0.04546 221 2S 0.01578 -0.00007 -0.08465 -0.05152 0.13933 222 27 H 1S 0.00392 0.00221 0.06463 0.08051 -0.00466 223 2S 0.01667 0.00379 -0.09978 -0.07281 0.05757 224 28 C 1S 0.00086 -0.00119 -0.09252 -0.18636 -0.11048 225 2S -0.00294 0.00772 0.57898 1.11390 0.63592 226 2PX -0.00215 0.00038 0.02092 0.03258 0.00425 227 2PY 0.00336 -0.00040 -0.02544 -0.05498 -0.02729 228 2PZ -0.00126 -0.00022 0.00389 0.01293 0.00841 229 3S -0.02346 0.00524 0.32662 0.81016 0.50040 230 3PX -0.00056 0.00432 -0.04533 -0.03333 -0.00809 231 3PY 0.00684 0.00083 0.04793 0.05143 0.04067 232 3PZ -0.00056 0.00055 -0.00516 -0.00990 -0.01308 233 4XX 0.00382 -0.00420 -0.35904 -0.71098 -0.41978 234 4YY -0.00075 -0.00457 -0.32285 -0.63030 -0.36613 235 4ZZ 0.00148 -0.00476 -0.35781 -0.71979 -0.43151 236 4XY 0.00263 -0.00089 -0.02863 -0.05844 -0.02351 237 4XZ -0.00125 -0.00001 0.00683 0.01411 0.00554 238 4YZ 0.00141 0.00008 -0.00867 -0.02624 -0.02087 239 29 H 1S -0.00194 -0.00033 0.04072 0.06658 0.03017 240 2S 0.00402 -0.00097 -0.07823 -0.18335 -0.14266 241 30 H 1S 0.00114 0.00042 0.03177 0.06172 0.03953 242 2S 0.00182 0.00025 -0.10240 -0.20846 -0.12403 243 31 H 1S 0.00065 0.00013 0.03042 0.06015 0.04013 244 2S 0.00049 -0.00071 -0.10596 -0.20493 -0.12018 245 32 H 1S 0.00151 0.00012 0.03669 0.06242 0.03230 246 2S -0.00652 -0.00310 -0.06102 -0.13658 -0.11783 247 33 H 1S -0.00045 0.00044 0.03663 0.07258 0.04288 248 2S -0.00108 0.00075 -0.08416 -0.18685 -0.14838 249 34 H 1S -0.00085 0.00024 0.03619 0.07411 0.04395 250 2S -0.00020 -0.00029 -0.08604 -0.18852 -0.14696 241 242 243 244 245 V V V V V Eigenvalues -- 4.22267 4.23107 4.24688 4.28590 4.31630 1 1 C 1S -0.10202 0.07391 -0.12172 0.32154 -0.20396 2 2S 0.54962 -0.39540 0.66330 -1.70370 1.16478 3 2PX -0.00081 0.00058 -0.01043 0.01667 -0.04917 4 2PY -0.00091 0.00197 -0.00734 0.05707 -0.04511 5 2PZ 0.00035 -0.00110 0.00243 -0.01712 0.01700 6 3S 0.63968 -0.47877 0.78586 -1.96009 1.31301 7 3PX 0.02527 -0.01659 0.05019 0.01299 0.08184 8 3PY 0.04066 -0.04007 0.03326 -0.13395 0.03050 9 3PZ -0.01600 0.01451 -0.01691 0.03407 -0.02859 10 4XX -0.37492 0.27245 -0.45381 1.19683 -0.80331 11 4YY -0.37104 0.26842 -0.45935 1.21241 -0.83873 12 4ZZ -0.38657 0.27925 -0.46121 1.20688 -0.77047 13 4XY 0.00515 -0.00272 -0.00884 0.03707 -0.07311 14 4XZ -0.00256 0.00120 0.00167 -0.00936 0.02411 15 4YZ -0.00657 0.00392 -0.00146 -0.00588 0.02651 16 2 C 1S -0.03689 0.02462 -0.00484 0.01506 0.13141 17 2S 0.12884 -0.07782 -0.10312 -0.13980 -0.95794 18 2PX -0.10963 0.06856 -0.15840 -0.02969 -0.16384 19 2PY -0.00304 0.00704 0.00839 0.14313 0.00547 20 2PZ 0.00944 -0.00803 0.00897 -0.03697 0.00395 21 3S 0.32399 -0.28179 0.22067 -0.02123 -0.35394 22 3PX 0.25050 -0.21113 0.27834 -0.03317 0.30677 23 3PY 0.13786 -0.11685 0.16255 -0.34652 0.15886 24 3PZ -0.04866 0.04885 -0.04841 0.10478 -0.03522 25 4XX -0.19578 0.12071 -0.09539 -0.02748 0.50408 26 4YY -0.07743 0.05157 0.07407 0.16227 0.62831 27 4ZZ -0.12889 0.08609 0.00259 0.06119 0.53632 28 4XY 0.03456 -0.02506 0.04936 -0.21718 0.11158 29 4XZ 0.00137 0.00036 0.00090 0.07011 -0.02834 30 4YZ -0.02167 0.01477 -0.03001 -0.01242 -0.04085 31 3 C 1S 0.13212 -0.08733 0.20713 0.08174 0.24773 32 2S -0.71216 0.45759 -1.16474 -0.48217 -1.43430 33 2PX -0.07288 0.04937 -0.06197 0.00849 0.06155 34 2PY 0.00969 -0.00720 0.02736 0.06319 0.06596 35 2PZ 0.01253 -0.00809 0.00986 -0.01368 -0.00950 36 3S -0.68906 0.52822 -0.99394 -0.43370 -1.33559 37 3PX 0.14333 -0.13360 0.10032 -0.11551 0.00350 38 3PY -0.09936 0.10596 -0.12010 -0.14362 -0.20982 39 3PZ -0.00458 -0.01755 -0.01382 0.03464 0.02374 40 4XX 0.53149 -0.33719 0.85525 0.31719 1.04212 41 4YY 0.45461 -0.30006 0.74283 0.33385 0.94250 42 4ZZ 0.49625 -0.32702 0.78137 0.31164 0.93943 43 4XY -0.05195 0.03386 -0.03598 -0.05489 0.10478 44 4XZ 0.01592 -0.01540 0.00312 0.01424 -0.05178 45 4YZ 0.01966 -0.01522 0.01568 -0.00329 -0.00534 46 4 C 1S 0.14495 -0.10154 0.11797 -0.02617 -0.15939 47 2S -0.73679 0.48943 -0.55395 0.14447 0.96941 48 2PX 0.01378 -0.00969 0.03522 -0.00584 0.07418 49 2PY 0.01403 -0.01257 0.03236 0.01007 0.04166 50 2PZ -0.00322 0.00211 -0.00616 -0.00632 -0.00476 51 3S -0.66146 0.50213 -0.55084 0.31106 0.71980 52 3PX -0.10032 0.11018 -0.12766 -0.06738 -0.29751 53 3PY -0.03292 0.06258 -0.03279 -0.11187 0.00738 54 3PZ -0.01701 0.04814 -0.00799 0.01773 -0.19754 55 4XX 0.51590 -0.35465 0.39037 -0.09929 -0.67419 56 4YY 0.51816 -0.36675 0.38697 -0.11426 -0.70896 57 4ZZ 0.50899 -0.33835 0.42231 -0.09855 -0.56840 58 4XY -0.03568 0.02195 -0.05988 -0.01412 -0.11458 59 4XZ -0.01732 0.02293 0.00786 -0.00336 0.08715 60 4YZ 0.01653 -0.00455 0.03989 0.01031 0.04462 61 5 C 1S 0.09066 -0.08024 0.03428 0.00536 -0.23962 62 2S -0.48085 0.47981 -0.16426 -0.03248 1.11344 63 2PX 0.03911 -0.03365 0.02945 0.00829 -0.00816 64 2PY 0.01992 -0.02600 0.03455 -0.00078 -0.02530 65 2PZ 0.00680 0.00122 0.00553 -0.00293 0.01380 66 3S -0.55165 0.39322 -0.25546 -0.10954 1.52013 67 3PX -0.24585 0.22710 -0.23402 -0.09821 -0.09565 68 3PY -0.12713 -0.01000 -0.22997 0.00322 -0.00259 69 3PZ -0.05749 0.08589 -0.02592 0.02690 -0.08071 70 4XX 0.34372 -0.32449 0.12647 0.01651 -0.86161 71 4YY 0.35252 -0.34169 0.13357 0.01318 -0.88303 72 4ZZ 0.31025 -0.29514 0.09741 0.03249 -0.81959 73 4XY 0.02495 -0.05302 0.01293 -0.00240 -0.01031 74 4XZ -0.03769 0.02839 -0.02771 0.01150 0.04997 75 4YZ -0.00622 0.01206 -0.00452 0.00636 0.01468 76 6 C 1S -0.06933 0.12272 -0.05406 0.00525 -0.00394 77 2S 0.39855 -0.62952 0.14708 -0.06044 0.02878 78 2PX 0.08668 -0.12057 -0.10470 0.01158 -0.02030 79 2PY 0.00608 0.01539 0.13735 -0.00124 -0.07220 80 2PZ -0.01133 0.01199 -0.00083 -0.00181 0.01603 81 3S 0.33233 -0.97616 0.47457 0.10792 0.02318 82 3PX -0.31391 -0.28642 -0.08870 -0.00170 0.09888 83 3PY -0.12018 0.43091 -0.28843 -0.10418 0.12857 84 3PZ 0.06037 -0.00261 0.05324 0.00761 -0.01274 85 4XX -0.26123 0.37250 -0.31575 0.04980 0.08385 86 4YY -0.23146 0.40614 -0.04459 0.03394 -0.09497 87 4ZZ -0.26319 0.47153 -0.18207 0.01953 -0.01423 88 4XY -0.06206 0.11799 0.03366 -0.01000 0.09354 89 4XZ 0.01569 -0.00208 0.02752 -0.00259 -0.04812 90 4YZ 0.00313 -0.00702 -0.03080 0.00025 -0.00819 91 7 C 1S -0.12387 0.18239 0.19244 -0.01608 -0.02722 92 2S 0.77652 -1.27301 -1.10772 0.10903 0.16803 93 2PX -0.03210 0.06680 -0.05175 0.01221 -0.01266 94 2PY -0.01279 0.03014 0.06780 -0.00572 -0.03355 95 2PZ 0.00479 -0.01580 -0.00635 -0.00085 0.00577 96 3S 0.47948 0.08972 -0.94260 -0.06269 0.18694 97 3PX -0.07810 -0.47711 0.00727 0.01840 0.16266 98 3PY -0.03312 0.01260 -0.05039 -0.01224 0.10088 99 3PZ 0.03083 0.07456 0.02130 -0.00038 -0.04125 100 4XX -0.55587 0.88307 0.81274 -0.08686 -0.09233 101 4YY -0.45969 0.71542 0.73401 -0.06109 -0.13741 102 4ZZ -0.47860 0.72082 0.73688 -0.06359 -0.09950 103 4XY -0.05302 -0.00097 -0.07982 0.00817 0.02157 104 4XZ 0.02490 -0.03304 -0.00350 0.00345 -0.00767 105 4YZ 0.00713 -0.00049 0.01424 -0.00144 0.00130 106 8 C 1S 0.06551 -0.04780 0.02544 -0.00738 0.01626 107 2S -0.40732 0.43363 -0.11847 0.02633 -0.06674 108 2PX -0.12143 0.14613 0.13018 -0.01594 0.00633 109 2PY -0.00235 0.00402 -0.00547 0.00280 -0.01365 110 2PZ 0.02222 -0.02693 -0.02268 0.00237 0.00368 111 3S -0.74308 -0.93144 -0.17829 0.11216 -0.31943 112 3PX -0.34296 -0.63823 -0.18622 -0.00821 0.06380 113 3PY -0.00096 0.34531 -0.00397 -0.03451 0.16211 114 3PZ 0.05948 0.06488 0.03002 0.00688 -0.04492 115 4XX 0.22729 -0.24509 0.15693 -0.03126 0.06160 116 4YY 0.27797 -0.22280 0.06317 -0.02128 0.05664 117 4ZZ 0.25891 -0.20842 0.08877 -0.02550 0.05665 118 4XY 0.09401 -0.10898 -0.10749 0.01498 0.00190 119 4XZ -0.00800 0.02568 0.00368 -0.00125 -0.00169 120 4YZ -0.02009 0.02298 0.02641 -0.00353 -0.00031 121 9 C 1S 0.13568 -0.20884 -0.15471 0.02182 -0.01123 122 2S -0.81286 1.17499 0.90250 -0.11799 0.03729 123 2PX 0.02557 0.08438 0.06955 -0.01260 0.00838 124 2PY -0.08315 -0.02029 0.00291 0.00078 -0.00316 125 2PZ 0.00825 -0.01254 -0.01274 0.00222 -0.00181 126 3S -0.60471 1.18967 0.78053 -0.12957 0.16488 127 3PX -0.67867 -1.43032 -0.21012 0.07013 -0.09287 128 3PY 0.49623 0.16366 -0.08673 0.03584 -0.06821 129 3PZ 0.04758 0.23356 0.05190 -0.01829 0.03221 130 4XX 0.52546 -0.81920 -0.66303 0.09173 -0.03809 131 4YY 0.59435 -0.73788 -0.60910 0.08124 -0.03230 132 4ZZ 0.53386 -0.77252 -0.58541 0.08106 -0.03972 133 4XY -0.07997 0.01609 0.08155 -0.01053 0.00337 134 4XZ 0.01424 0.00715 0.00337 -0.00056 -0.00199 135 4YZ 0.00457 -0.00904 -0.01049 0.00191 -0.00189 136 10 C 1S -0.11531 -0.11543 -0.01134 0.00528 -0.01405 137 2S 0.48317 0.30279 -0.00657 -0.01630 0.08437 138 2PX 0.10352 0.05728 -0.02219 0.00090 0.00250 139 2PY -0.03351 0.08573 0.06597 -0.00816 0.01132 140 2PZ -0.01323 -0.02346 -0.00565 0.00110 -0.00194 141 3S -0.14852 -1.38456 -0.36912 0.09714 -0.00737 142 3PX 0.41158 1.63123 0.47772 -0.10726 0.07012 143 3PY 0.98738 1.34473 0.11453 -0.03498 -0.02484 144 3PZ -0.22393 -0.49601 -0.10382 0.02458 -0.01121 145 4XX -0.21338 -0.29600 -0.11003 0.02610 -0.07103 146 4YY -0.56844 -0.26900 0.09650 0.00191 -0.05964 147 4ZZ -0.37144 -0.30729 -0.01774 0.01414 -0.05116 148 4XY -0.08227 -0.06766 0.00923 -0.00058 -0.00486 149 4XZ -0.01951 0.00848 0.01749 -0.00242 0.00517 150 4YZ 0.04978 0.00571 -0.02177 0.00224 0.00235 151 11 C 1S -0.35173 -0.20748 0.10646 -0.00772 0.02015 152 2S 1.99223 1.24062 -0.57126 0.03854 -0.11662 153 2PX 0.03041 0.00288 -0.02305 0.00312 -0.00593 154 2PY -0.03301 -0.03113 0.00565 -0.00015 0.00047 155 2PZ -0.00052 0.00426 0.00315 -0.00054 0.00088 156 3S 1.69600 0.52223 -0.74686 0.08041 -0.14202 157 3PX -0.00477 0.14386 0.07415 -0.01418 0.01870 158 3PY -0.10693 -0.27958 -0.07853 0.01549 0.00256 159 3PZ 0.01766 0.01656 -0.00055 0.00019 -0.00255 160 4XX -1.31787 -0.74873 0.42437 -0.03358 0.08667 161 4YY -1.33960 -0.84508 0.38030 -0.02505 0.07594 162 4ZZ -1.34059 -0.78936 0.40320 -0.02909 0.07604 163 4XY 0.04156 0.06099 0.00339 -0.00113 -0.00428 164 4XZ -0.01160 -0.01828 -0.00500 0.00113 -0.00175 165 4YZ -0.00801 -0.00175 0.00344 -0.00048 0.00075 166 12 H 1S 0.08835 0.08444 -0.01139 -0.00086 -0.00216 167 2S -0.38061 -0.28266 0.08659 -0.00334 0.02307 168 13 H 1S 0.07223 0.04722 -0.01642 0.00066 -0.00293 169 2S -0.34846 -0.16604 0.12360 -0.01032 0.01880 170 14 H 1S 0.07206 0.04733 -0.01656 0.00063 -0.00274 171 2S -0.34887 -0.16616 0.12285 -0.01028 0.01722 172 15 O 1S -0.13113 -0.31788 -0.06648 0.01661 0.00460 173 2S -0.15518 -0.43207 -0.10376 0.02474 -0.00076 174 2PX 0.02349 -0.04883 -0.03002 0.00339 0.00115 175 2PY 0.00346 -0.07319 -0.02532 0.00521 0.00993 176 2PZ -0.00465 0.01953 0.00946 -0.00136 -0.00188 177 3S 1.97893 4.75561 0.99970 -0.24895 -0.00951 178 3PX 0.36413 0.72419 0.14815 -0.03176 0.02284 179 3PY 0.32036 0.89055 0.22169 -0.05288 0.01290 180 3PZ -0.11368 -0.26376 -0.06056 0.01359 -0.00528 181 4XX -0.33459 -0.99327 -0.24022 0.05575 0.01857 182 4YY -0.41739 -0.93893 -0.16945 0.04564 0.02466 183 4ZZ -0.43519 -1.05662 -0.22598 0.05608 0.01681 184 4XY 0.10452 0.17477 0.03351 -0.00793 0.01346 185 4XZ -0.03845 -0.04247 -0.00242 0.00141 -0.00234 186 4YZ -0.02346 -0.05398 -0.01657 0.00333 -0.00381 187 16 H 1S 0.01905 0.17342 0.05479 -0.01210 0.00793 188 2S 0.20083 0.19680 -0.06094 -0.00800 0.02765 189 17 H 1S -0.00937 0.02175 -0.00662 0.00031 -0.00711 190 2S 0.11543 -0.10633 0.09828 0.00068 -0.06936 191 18 H 1S 0.03976 -0.05120 -0.05497 0.00285 0.01674 192 2S -0.18051 0.01533 0.17016 0.00261 0.06162 193 19 C 1S -0.04421 0.05863 -0.30943 0.00246 0.20028 194 2S 0.22487 -0.28196 1.71397 -0.01314 -1.02709 195 2PX 0.01378 -0.00756 -0.00116 -0.00120 -0.01186 196 2PY -0.00967 0.01625 0.03325 0.00109 -0.04154 197 2PZ 0.00131 -0.00349 -0.00122 -0.00140 0.00577 198 3S 0.26236 -0.42772 1.71782 0.02525 -1.26880 199 3PX 0.02006 0.06707 0.01121 0.01183 0.06451 200 3PY 0.05289 0.06226 0.02871 -0.01660 0.02654 201 3PZ -0.01739 -0.01460 -0.02096 0.00718 -0.00272 202 4XX -0.15595 0.21511 -1.14648 0.01113 0.72392 203 4YY -0.14882 0.16582 -1.18638 0.00306 0.77438 204 4ZZ -0.16489 0.22145 -1.18033 0.01113 0.74396 205 4XY -0.01749 0.00669 0.00278 -0.00056 -0.00446 206 4XZ 0.00362 -0.00135 -0.00524 -0.00005 0.00281 207 4YZ -0.00263 0.01168 -0.00148 0.00096 -0.00307 208 20 H 1S 0.01589 -0.01497 0.06319 -0.00106 -0.03505 209 2S -0.10319 0.01279 -0.37856 -0.00040 0.21066 210 21 H 1S 0.00866 -0.01476 0.07085 -0.00408 -0.03294 211 2S -0.08115 0.10435 -0.37928 0.01299 0.30706 212 22 H 1S 0.01140 -0.01732 0.06851 -0.00269 -0.02606 213 2S -0.06679 0.09342 -0.34425 0.00447 0.26457 214 23 H 1S -0.03131 0.02693 -0.01748 -0.01385 0.00828 215 2S 0.11090 -0.08120 0.08024 -0.00610 -0.26544 216 24 H 1S -0.02145 0.00685 -0.01659 0.00732 0.03709 217 2S 0.10495 -0.12204 -0.04153 0.01659 -0.26911 218 25 H 1S -0.03341 0.01271 -0.04021 -0.01127 0.03929 219 2S 0.16409 -0.08869 0.17927 -0.03012 -0.14902 220 26 H 1S -0.04561 0.03187 -0.03836 0.00541 0.04752 221 2S 0.19058 -0.15344 0.19403 0.04958 -0.31144 222 27 H 1S -0.03995 0.03115 -0.06033 -0.04560 -0.05868 223 2S 0.08266 -0.03931 0.16023 0.00803 0.20263 224 28 C 1S -0.04816 0.02230 -0.08310 -0.38793 -0.09294 225 2S 0.28906 -0.13904 0.49840 2.08816 0.60389 226 2PX -0.01136 0.00832 -0.01819 -0.01035 -0.03619 227 2PY -0.00131 0.00185 0.01182 0.07530 0.03825 228 2PZ -0.00048 0.00082 -0.00391 -0.01964 -0.00876 229 3S 0.15451 -0.04064 0.33287 2.32595 0.42114 230 3PX -0.02259 0.02217 -0.02105 -0.04157 0.02305 231 3PY 0.05984 -0.05068 0.05609 -0.09384 -0.02680 232 3PZ -0.00901 0.00302 -0.00923 0.02748 -0.00098 233 4XX -0.19174 0.09250 -0.32762 -1.43302 -0.37951 234 4YY -0.17205 0.07812 -0.32227 -1.51114 -0.42511 235 4ZZ -0.19334 0.09122 -0.32823 -1.45790 -0.36631 236 4XY 0.00697 -0.00596 0.01827 0.03874 0.03847 237 4XZ -0.00236 0.00215 -0.00517 -0.01300 -0.00809 238 4YZ -0.00702 0.00507 -0.00192 0.01469 0.02030 239 29 H 1S 0.01304 -0.00902 0.01679 0.07589 0.01372 240 2S -0.09296 0.06059 -0.12488 -0.40291 -0.04725 241 30 H 1S 0.02132 -0.01317 0.02779 0.05927 0.02125 242 2S -0.04686 0.01975 -0.07813 -0.46046 -0.05784 243 31 H 1S 0.02128 -0.01201 0.02831 0.05897 0.02458 244 2S -0.05536 0.02949 -0.08785 -0.46069 -0.06104 245 32 H 1S 0.01756 -0.01247 0.01952 -0.05364 0.03309 246 2S -0.10578 0.07117 -0.14809 0.27865 -0.26391 247 33 H 1S 0.02074 -0.01375 0.02256 -0.04833 0.02986 248 2S -0.11043 0.08095 -0.12405 0.39831 -0.19359 249 34 H 1S 0.01963 -0.01319 0.02082 -0.04843 0.02536 250 2S -0.11047 0.08270 -0.12244 0.39778 -0.19752 246 247 248 249 250 V V V V V Eigenvalues -- 4.35237 4.48795 4.51388 4.57143 4.61992 1 1 C 1S 0.04065 0.09664 0.02928 0.09934 -0.00784 2 2S -0.23656 -0.66781 -0.20131 -0.64487 0.04899 3 2PX 0.01264 0.05923 0.01757 0.06027 -0.00555 4 2PY 0.01244 0.05570 0.01658 0.04511 -0.00292 5 2PZ -0.00345 -0.01805 -0.00696 -0.01897 0.00082 6 3S -0.23514 -0.47219 -0.17476 -0.63258 0.03852 7 3PX -0.01664 -0.06163 -0.01969 -0.08098 0.00753 8 3PY 0.01257 0.08858 0.00188 -0.03338 -0.00307 9 3PZ -0.00499 -0.03669 -0.00018 0.01908 0.00025 10 4XX 0.16133 0.44294 0.13785 0.46487 -0.03571 11 4YY 0.17466 0.49537 0.14734 0.47263 -0.03651 12 4ZZ 0.15428 0.36893 0.11027 0.36594 -0.02890 13 4XY 0.01974 0.09740 0.02855 0.08120 -0.00582 14 4XZ -0.00586 -0.03430 -0.01129 -0.03398 0.00218 15 4YZ -0.00876 -0.05669 -0.01718 -0.04481 0.00256 16 2 C 1S -0.03888 -0.23642 -0.07246 -0.23648 0.01910 17 2S 0.22937 1.32574 0.43389 1.39155 -0.09884 18 2PX 0.01216 -0.11259 -0.04060 -0.16773 0.01513 19 2PY 0.00070 -0.00226 0.00278 0.02914 -0.00232 20 2PZ -0.00196 -0.00086 -0.00012 0.00950 -0.00194 21 3S 0.29416 1.86717 0.42248 1.76438 -0.23566 22 3PX 0.06693 0.60738 0.07641 0.16826 -0.04538 23 3PY 0.01001 0.10204 -0.00409 0.22172 -0.06129 24 3PZ -0.01377 -0.05683 0.01217 -0.05806 0.02615 25 4XX -0.15831 -1.09631 -0.35599 -1.22803 0.09834 26 4YY -0.15573 -0.98791 -0.32292 -1.07851 0.08180 27 4ZZ -0.15190 -0.88649 -0.27053 -0.85658 0.06688 28 4XY -0.02914 -0.00317 0.01671 0.13985 -0.01337 29 4XZ 0.00779 0.02026 0.00480 0.00659 -0.00031 30 4YZ 0.00410 0.03603 0.01662 0.06221 -0.00357 31 3 C 1S -0.01826 0.11118 0.03464 0.22661 -0.02971 32 2S 0.15320 -0.45099 -0.18753 -1.32165 0.15432 33 2PX -0.03076 -0.17071 -0.04475 -0.15445 0.01557 34 2PY -0.00599 0.03992 0.01426 0.12449 -0.01630 35 2PZ 0.00333 0.01642 0.00507 -0.01134 0.00356 36 3S -0.03974 -1.14819 -0.21727 -1.93583 0.34475 37 3PX 0.09437 0.59541 0.06356 -0.09029 0.00483 38 3PY -0.07599 -0.17886 0.05279 -0.41600 0.13513 39 3PZ 0.02943 -0.00754 -0.05262 0.08116 -0.04831 40 4XX -0.10174 0.53403 0.21495 1.28693 -0.14268 41 4YY -0.08816 0.38138 0.13454 0.89549 -0.10979 42 4ZZ -0.07654 0.35195 0.11392 0.82827 -0.11068 43 4XY -0.04469 -0.11260 -0.00870 0.09210 -0.00856 44 4XZ 0.01668 -0.00331 -0.01697 -0.06502 0.00037 45 4YZ 0.01263 0.01920 -0.00789 -0.04290 0.00015 46 4 C 1S 0.09128 0.24871 -0.00064 -0.28478 0.01939 47 2S -0.42872 -1.15156 -0.09422 1.47378 -0.19464 48 2PX 0.00336 0.03654 -0.00577 0.04739 -0.01951 49 2PY -0.00894 -0.00735 -0.00189 0.05657 -0.01220 50 2PZ 0.00637 0.05652 0.01518 -0.05844 0.01601 51 3S -0.60695 -2.15462 0.03997 2.56084 -0.17403 52 3PX -0.17568 -0.38522 0.14973 -0.11205 0.17914 53 3PY -0.04455 0.03773 0.09835 0.00104 0.07100 54 3PZ -0.02483 -0.29913 -0.02295 0.06433 -0.01095 55 4XX 0.33858 0.91970 0.02640 -1.16116 0.11272 56 4YY 0.34505 0.84174 -0.01611 -1.13124 0.08691 57 4ZZ 0.31383 0.99164 0.07048 -1.09678 0.12471 58 4XY 0.01377 -0.00986 -0.00538 -0.13879 0.02328 59 4XZ -0.02073 0.10785 0.05448 -0.02548 0.03004 60 4YZ -0.01588 0.03181 0.02852 0.04933 0.00608 61 5 C 1S 0.03439 -0.31676 -0.12779 0.14610 -0.08515 62 2S -0.28602 1.45722 0.85175 -0.78035 0.60703 63 2PX 0.03479 0.00831 -0.04104 0.02124 -0.04270 64 2PY 0.00889 -0.02429 -0.02847 0.02554 -0.02533 65 2PZ 0.00520 0.07110 0.02365 -0.05060 0.02138 66 3S -0.10530 2.61128 0.68299 -1.36430 0.51188 67 3PX -0.05815 -0.20502 0.03458 -0.06859 0.08065 68 3PY -0.01678 0.00108 -0.08036 -0.12367 0.01935 69 3PZ -0.14516 -0.33110 0.12000 0.22100 0.05949 70 4XX 0.20656 -1.16978 -0.62533 0.59063 -0.45336 71 4YY 0.17684 -1.11296 -0.56250 0.52535 -0.38533 72 4ZZ 0.12762 -1.21900 -0.51036 0.62892 -0.34653 73 4XY 0.05735 -0.01710 -0.10512 0.03687 -0.08152 74 4XZ -0.04054 -0.08947 0.02009 0.09420 0.01436 75 4YZ -0.02626 -0.01938 0.03639 0.02312 0.02696 76 6 C 1S -0.16736 -0.08286 0.26088 0.00711 0.21367 77 2S 1.06080 0.29704 -1.48626 0.04408 -1.22910 78 2PX 0.03875 -0.05897 0.06146 0.02179 0.11350 79 2PY -0.03472 -0.01093 -0.03398 0.00269 -0.06346 80 2PZ 0.01271 0.02830 -0.02031 -0.01357 -0.02145 81 3S 0.56232 0.77842 -1.99561 -0.06794 -1.66596 82 3PX -0.31246 0.43532 -0.38750 -0.27797 -0.16691 83 3PY 0.24001 -0.00827 -0.00155 -0.09082 -0.04378 84 3PZ -0.01136 -0.07475 0.10379 0.06574 0.06773 85 4XX -0.71444 -0.23310 1.17575 -0.01471 1.04585 86 4YY -0.75392 -0.34622 1.17106 0.02471 1.01100 87 4ZZ -0.63950 -0.26686 0.96667 -0.00214 0.77091 88 4XY 0.01545 0.14407 -0.05323 -0.05785 -0.11314 89 4XZ 0.01277 -0.03436 -0.03396 0.00915 -0.03879 90 4YZ 0.01174 -0.02730 -0.02526 0.01548 -0.02277 91 7 C 1S -0.11738 0.07963 -0.10613 -0.03971 -0.20843 92 2S 0.66749 -0.33054 0.53915 0.16483 1.20168 93 2PX -0.15017 -0.06910 0.15632 0.01342 0.05180 94 2PY -0.03908 0.02061 -0.09260 -0.00980 -0.15846 95 2PZ 0.03002 -0.00332 -0.01346 0.00716 0.01654 96 3S 1.20238 -0.90156 1.22480 0.39379 1.83393 97 3PX 0.08341 0.52420 -0.37292 -0.22878 0.00981 98 3PY 0.06009 -0.00858 0.30618 0.02417 0.18413 99 3PZ -0.00473 -0.04875 0.00471 0.01056 -0.04507 100 4XX -0.46522 0.37896 -0.58968 -0.18108 -1.17326 101 4YY -0.47582 0.24915 -0.40674 -0.12604 -0.88188 102 4ZZ -0.44515 0.29585 -0.36814 -0.15080 -0.74935 103 4XY -0.17275 0.03136 0.07259 -0.03419 -0.02547 104 4XZ 0.02999 -0.02863 0.03874 0.01431 0.09833 105 4YZ 0.03993 0.00068 -0.00788 0.00279 0.02947 106 8 C 1S 0.24644 -0.03252 -0.00897 0.03155 0.20016 107 2S -1.37613 0.23276 0.01149 -0.20127 -1.15099 108 2PX 0.06252 0.03689 -0.13222 0.01503 0.06909 109 2PY -0.12768 0.01981 0.01999 -0.02679 -0.15158 110 2PZ 0.00869 -0.00606 0.02103 0.00013 0.01037 111 3S -2.38430 0.25208 -0.34119 -0.16910 -1.50613 112 3PX -0.26985 0.17835 -0.03260 -0.08437 0.12432 113 3PY 0.49499 0.09358 -0.06766 -0.02731 0.18352 114 3PZ -0.03323 -0.06960 0.01984 0.03091 -0.04601 115 4XX 1.20666 -0.18324 -0.11219 0.19987 1.17371 116 4YY 0.94439 -0.16076 0.01299 0.13627 0.81090 117 4ZZ 0.91426 -0.12513 -0.02506 0.11528 0.71886 118 4XY -0.00522 -0.04312 0.08178 0.01281 0.04067 119 4XZ -0.06172 0.02177 0.00474 -0.02201 -0.10636 120 4YZ -0.00484 0.01888 -0.02297 -0.00922 -0.02836 121 9 C 1S -0.18058 -0.00547 0.13630 -0.04007 -0.18613 122 2S 0.88134 0.07325 -0.89518 0.23312 1.09311 123 2PX 0.20519 -0.02927 -0.02074 0.02846 0.14381 124 2PY -0.10001 0.03772 -0.09577 0.00546 0.02600 125 2PZ -0.02186 -0.00065 0.01790 -0.00611 -0.03017 126 3S 1.54179 0.01486 -0.96776 0.33370 1.67763 127 3PX -1.17191 0.32266 -0.60356 -0.01627 0.16623 128 3PY -0.09390 -0.12362 0.22172 0.00429 -0.29020 129 3PZ 0.22787 -0.03073 0.07488 -0.00135 0.01330 130 4XX -0.82382 -0.01418 0.59166 -0.18105 -0.89016 131 4YY -0.62792 -0.07312 0.77094 -0.20284 -0.97114 132 4ZZ -0.64648 -0.02660 0.51163 -0.14450 -0.66000 133 4XY 0.14412 0.00069 -0.11736 0.03966 0.21907 134 4XZ 0.01447 -0.00445 0.00056 0.00254 0.01591 135 4YZ -0.02913 0.00870 -0.02489 0.00283 0.01549 136 10 C 1S -0.17692 0.08038 -0.27922 0.03868 0.21168 137 2S 0.80552 -0.37016 1.39519 -0.20920 -1.05676 138 2PX 0.01096 -0.02085 0.09259 -0.01450 -0.09524 139 2PY 0.13303 -0.03092 0.08278 -0.00494 -0.03771 140 2PZ -0.02172 0.00961 -0.02946 0.00268 0.02236 141 3S -0.57893 -0.00624 0.60351 -0.17789 -0.81643 142 3PX 1.56270 -0.47883 1.14374 -0.08930 -0.57609 143 3PY 0.72005 -0.39836 0.99730 -0.08620 -0.82937 144 3PZ -0.39064 0.14087 -0.35534 0.03148 0.22955 145 4XX -0.79981 0.33921 -1.17784 0.16135 0.87123 146 4YY -0.53424 0.31041 -1.26750 0.20767 1.06506 147 4ZZ -0.56932 0.25894 -0.92531 0.13096 0.69663 148 4XY -0.01873 0.01039 -0.06544 0.01281 0.06505 149 4XZ 0.05195 -0.01929 0.06644 -0.00881 -0.04956 150 4YZ -0.00158 -0.01209 0.07515 -0.01612 -0.07913 151 11 C 1S 0.16185 -0.03874 0.14376 -0.02068 -0.08542 152 2S -0.87421 0.21802 -0.80646 0.11142 0.49334 153 2PX -0.06695 0.02343 -0.07646 0.00935 0.05137 154 2PY -0.00127 0.00197 -0.00093 -0.00103 0.00125 155 2PZ 0.01205 -0.00492 0.01392 -0.00129 -0.00924 156 3S -1.54021 0.42348 -1.41286 0.19456 0.84114 157 3PX 0.24765 -0.06482 0.21852 -0.03330 -0.11817 158 3PY -0.22472 0.09347 -0.25025 0.02925 0.18618 159 3PZ -0.00909 0.00083 -0.00175 -0.00019 -0.00788 160 4XX 0.73725 -0.20244 0.71704 -0.09744 -0.45087 161 4YY 0.56754 -0.13704 0.52956 -0.07838 -0.32450 162 4ZZ 0.60011 -0.13906 0.51152 -0.07177 -0.29568 163 4XY 0.00239 -0.00214 -0.00755 0.00244 0.00386 164 4XZ -0.02963 0.01356 -0.04273 0.00525 0.03268 165 4YZ 0.00467 0.00064 -0.00308 0.00072 0.00520 166 12 H 1S 0.00301 -0.00100 -0.00703 0.00226 0.00937 167 2S 0.12413 -0.02493 0.11067 -0.01637 -0.05985 168 13 H 1S -0.01132 -0.00026 0.00401 -0.00210 -0.00747 169 2S 0.19323 -0.05029 0.17064 -0.02330 -0.10543 170 14 H 1S -0.01142 -0.00040 0.00408 -0.00191 -0.00721 171 2S 0.19203 -0.05386 0.17118 -0.02166 -0.10488 172 15 O 1S -0.21360 0.08158 -0.14590 0.00230 0.07141 173 2S -0.35505 0.14437 -0.29499 0.01120 0.16382 174 2PX -0.00800 -0.01319 0.06189 -0.01194 -0.05567 175 2PY -0.01930 0.00566 0.05567 -0.01789 -0.06396 176 2PZ 0.00441 0.00192 -0.01983 0.00456 0.01928 177 3S 3.39266 -1.28965 2.58736 -0.10307 -1.41199 178 3PX 0.50636 -0.18541 0.55024 -0.06063 -0.43002 179 3PY 0.75600 -0.28590 0.64249 -0.03966 -0.36896 180 3PZ -0.20487 0.07634 -0.19508 0.01713 0.13361 181 4XX -0.65541 0.22724 -0.31893 -0.01824 0.08894 182 4YY -0.54404 0.20949 -0.30958 -0.01001 0.12150 183 4ZZ -0.74024 0.29522 -0.55209 0.01503 0.29203 184 4XY 0.16186 -0.06106 0.21840 -0.03066 -0.17433 185 4XZ -0.04516 0.02562 -0.08650 0.01180 0.07215 186 4YZ -0.06612 0.02682 -0.08552 0.01070 0.06475 187 16 H 1S 0.11173 -0.01765 0.02134 0.00353 0.01363 188 2S 0.16750 -0.08135 0.30259 -0.04678 -0.25325 189 17 H 1S -0.06280 0.00555 0.00507 -0.00821 -0.05798 190 2S 0.15163 -0.11654 0.09024 0.05989 0.25421 191 18 H 1S 0.04647 0.00521 0.03405 -0.00911 0.06035 192 2S -0.24882 0.19726 -0.04350 -0.05631 -0.27705 193 19 C 1S 0.15172 0.09502 -0.12013 -0.01728 -0.10233 194 2S -0.85319 -0.40645 0.71345 0.03158 0.58525 195 2PX 0.01453 -0.01465 -0.02013 0.01049 -0.02181 196 2PY -0.06431 -0.05001 0.07524 0.01541 0.06872 197 2PZ 0.00742 0.01743 -0.00682 -0.01079 -0.00564 198 3S -1.07322 -0.79471 1.01114 0.19079 0.94958 199 3PX 0.03065 0.02586 0.13650 -0.00036 0.10079 200 3PY 0.15782 0.08288 -0.09408 -0.06992 -0.08664 201 3PZ -0.01571 -0.04155 -0.02928 0.04447 -0.02283 202 4XX 0.56571 0.31652 -0.45051 -0.04331 -0.38392 203 4YY 0.68333 0.39963 -0.64930 -0.05726 -0.55805 204 4ZZ 0.55815 0.32916 -0.42259 -0.05619 -0.35230 205 4XY -0.02701 -0.00628 0.01586 -0.00202 0.02273 206 4XZ 0.00476 0.00789 0.00345 -0.00672 0.00335 207 4YZ -0.02195 -0.01948 0.04066 0.00823 0.03450 208 20 H 1S -0.02202 -0.00978 0.01637 0.00222 0.01202 209 2S 0.09931 0.11494 -0.23856 -0.01104 -0.23577 210 21 H 1S -0.01442 0.01184 -0.00530 -0.01496 -0.00811 211 2S 0.16054 0.10983 -0.10499 0.04417 -0.10752 212 22 H 1S -0.00713 0.01924 -0.01174 -0.01515 -0.01385 213 2S 0.14099 0.15495 -0.06804 -0.04030 -0.06920 214 23 H 1S -0.00259 -0.00126 0.00590 -0.00624 0.00390 215 2S 0.04731 -0.35134 -0.13764 0.13539 -0.08225 216 24 H 1S -0.02038 0.00266 0.01727 0.00223 0.00853 217 2S 0.10067 -0.34368 -0.20622 0.10907 -0.08797 218 25 H 1S 0.01760 0.01605 -0.02992 -0.02634 -0.01542 219 2S 0.10700 0.32597 -0.00693 -0.31608 -0.00567 220 26 H 1S -0.01752 -0.00538 0.00435 0.02504 -0.00278 221 2S 0.11228 0.21537 -0.06037 -0.52816 0.02089 222 27 H 1S -0.00441 -0.05541 -0.00334 -0.04090 0.01092 223 2S -0.06046 0.05713 0.07146 0.12990 0.01465 224 28 C 1S -0.00103 0.07239 0.03563 0.14243 -0.01014 225 2S -0.01331 -0.48377 -0.22091 -0.82398 0.05429 226 2PX 0.00311 0.01787 0.01031 0.04766 -0.00334 227 2PY -0.00542 -0.05337 -0.01984 -0.06967 0.00470 228 2PZ -0.00089 0.00443 0.00517 0.02233 -0.00095 229 3S -0.00358 -0.59295 -0.26041 -1.24473 0.12065 230 3PX -0.02673 -0.14892 -0.02997 -0.16755 0.02753 231 3PY 0.02709 0.04266 -0.02043 0.03663 -0.02810 232 3PZ 0.00492 0.02742 -0.00009 -0.03072 0.00332 233 4XX -0.00077 0.28418 0.14166 0.55934 -0.03788 234 4YY 0.01378 0.43280 0.19076 0.71582 -0.04911 235 4ZZ -0.00262 0.25522 0.12648 0.50828 -0.03628 236 4XY -0.00246 -0.03870 -0.02079 -0.07600 0.00327 237 4XZ -0.00073 0.00356 0.00444 0.01706 -0.00035 238 4YZ -0.00567 -0.05287 -0.01788 -0.06250 0.00477 239 29 H 1S 0.00502 -0.01656 -0.01468 -0.02451 -0.00380 240 2S -0.02934 0.12218 0.09932 0.35121 -0.00786 241 30 H 1S 0.00257 0.01513 0.00139 0.00545 -0.00166 242 2S -0.01037 0.04083 0.02545 0.09885 -0.00579 243 31 H 1S 0.00056 0.01029 0.00302 0.01203 -0.00128 244 2S -0.01965 0.00804 0.02995 0.12943 -0.00461 245 32 H 1S -0.00670 -0.02133 -0.00621 -0.01630 0.00065 246 2S 0.06060 0.16477 0.03685 0.10815 -0.01032 247 33 H 1S -0.00529 -0.00461 0.00004 -0.00100 0.00087 248 2S 0.04012 0.06228 0.01535 0.05615 -0.00515 249 34 H 1S -0.00578 -0.01018 -0.00118 -0.00078 0.00057 250 2S 0.03599 0.05216 0.01873 0.06290 -0.00358 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05082 2 2S -0.05316 0.30006 3 2PX -0.00037 0.00185 0.40040 4 2PY 0.00113 -0.00286 -0.00874 0.39519 5 2PZ -0.00026 0.00060 0.00238 0.00201 0.39893 6 3S -0.18601 0.29116 0.04464 0.04234 -0.01560 7 3PX -0.00150 0.00136 0.20039 0.00482 -0.00260 8 3PY -0.00096 -0.00199 -0.00685 0.19074 -0.00129 9 3PZ 0.00041 0.00039 0.00050 -0.00238 0.18450 10 4XX -0.01789 -0.00169 -0.00339 0.00224 -0.00384 11 4YY -0.01762 -0.00188 0.01496 -0.00985 0.00274 12 4ZZ -0.01838 -0.00039 -0.01580 0.00309 0.00269 13 4XY 0.00121 -0.00269 0.00204 0.01586 -0.01062 14 4XZ -0.00039 0.00088 -0.00411 -0.01065 -0.02022 15 4YZ -0.00038 0.00078 -0.01046 0.00338 0.00324 16 2 C 1S 0.01251 -0.02298 -0.04588 -0.04997 0.01753 17 2S -0.02356 0.04062 0.09784 0.10375 -0.03664 18 2PX 0.04285 -0.08481 -0.13188 -0.14978 0.05511 19 2PY 0.04887 -0.09423 -0.15677 -0.15282 0.06495 20 2PZ -0.01699 0.03287 0.05710 0.06421 0.01429 21 3S 0.00347 0.00392 0.05346 0.09280 -0.02965 22 3PX 0.00923 -0.02397 -0.06566 -0.03607 0.01529 23 3PY -0.00039 -0.00870 -0.00358 -0.02395 0.00826 24 3PZ -0.00081 0.00463 0.00731 0.01068 0.00027 25 4XX -0.00121 0.00124 -0.00987 0.00360 -0.00149 26 4YY -0.00229 0.00346 0.00658 -0.00812 -0.00156 27 4ZZ 0.00092 -0.00214 -0.00275 -0.00261 0.00553 28 4XY -0.00567 0.01064 0.00565 0.00710 -0.00549 29 4XZ 0.00179 -0.00329 -0.00173 -0.00515 -0.00742 30 4YZ 0.00165 -0.00296 -0.00442 -0.00112 -0.00544 31 3 C 1S -0.00471 0.00990 0.01749 0.00470 -0.00284 32 2S 0.00907 -0.02079 -0.03841 -0.00774 0.00568 33 2PX -0.01283 0.02921 0.04193 0.02793 -0.01407 34 2PY -0.00624 0.01388 0.01521 -0.01574 -0.00630 35 2PZ 0.00279 -0.00637 -0.01089 -0.00740 -0.03105 36 3S 0.00922 -0.02077 -0.05207 -0.01096 0.00598 37 3PX 0.00164 -0.00438 -0.02643 0.01353 -0.00520 38 3PY -0.00067 0.00146 -0.01980 -0.02843 -0.00078 39 3PZ 0.00019 -0.00044 0.00386 -0.00289 -0.03330 40 4XX -0.00124 0.00247 0.00661 0.00377 -0.00179 41 4YY 0.00058 -0.00108 -0.00232 -0.00174 0.00038 42 4ZZ -0.00049 0.00073 0.00063 0.00082 0.00013 43 4XY -0.00218 0.00411 0.00810 0.00508 -0.00238 44 4XZ 0.00065 -0.00126 -0.00284 -0.00182 -0.00004 45 4YZ -0.00017 0.00025 0.00017 0.00016 -0.00062 46 4 C 1S 0.00208 -0.00517 -0.00943 -0.00412 0.00221 47 2S -0.00498 0.01020 0.01851 0.00983 -0.00429 48 2PX 0.00952 -0.01909 -0.03495 -0.02135 0.00848 49 2PY 0.00696 -0.01565 -0.02381 -0.01044 0.00534 50 2PZ -0.00295 0.00637 0.01021 0.00577 -0.00146 51 3S -0.01085 0.02652 0.07713 0.02419 -0.01556 52 3PX 0.00570 -0.01320 -0.03145 -0.01430 0.00315 53 3PY 0.00699 -0.01540 -0.03621 -0.01290 0.00261 54 3PZ -0.00174 0.00455 0.01035 0.00179 -0.00465 55 4XX 0.00025 -0.00059 -0.00130 -0.00113 0.00062 56 4YY 0.00001 -0.00022 0.00012 0.00081 0.00017 57 4ZZ 0.00009 -0.00039 -0.00060 -0.00038 -0.00034 58 4XY -0.00009 0.00031 0.00055 0.00030 0.00044 59 4XZ 0.00001 -0.00007 0.00011 0.00054 0.00146 60 4YZ 0.00000 -0.00001 -0.00019 -0.00020 0.00078 61 5 C 1S -0.00023 0.00049 0.00075 0.00041 -0.00239 62 2S 0.00076 -0.00127 -0.00185 -0.00147 0.00401 63 2PX -0.00178 0.00262 0.00491 0.00347 -0.00653 64 2PY -0.00015 0.00061 -0.00011 0.00082 -0.00115 65 2PZ -0.00109 0.00243 0.00491 0.00302 -0.00528 66 3S 0.00042 -0.00231 -0.00730 0.00173 0.02133 67 3PX 0.00038 -0.00064 -0.00260 -0.00182 -0.00162 68 3PY -0.00059 0.00087 0.00221 0.00395 0.00204 69 3PZ -0.00131 0.00284 0.00836 0.00257 -0.00712 70 4XX -0.00025 0.00050 0.00078 0.00047 -0.00060 71 4YY 0.00003 -0.00005 -0.00009 0.00002 -0.00012 72 4ZZ 0.00030 -0.00054 -0.00105 -0.00069 0.00038 73 4XY -0.00021 0.00042 0.00057 0.00036 -0.00054 74 4XZ -0.00007 0.00014 0.00036 0.00017 0.00004 75 4YZ -0.00008 0.00022 0.00028 0.00007 -0.00010 76 6 C 1S 0.00039 -0.00085 -0.00149 -0.00079 0.00097 77 2S -0.00095 0.00181 0.00276 0.00211 -0.00178 78 2PX 0.00161 -0.00263 -0.00424 -0.00310 0.00344 79 2PY 0.00081 -0.00170 -0.00237 -0.00193 0.00197 80 2PZ -0.00016 0.00042 0.00180 0.00012 -0.00231 81 3S -0.00219 0.00475 0.01056 0.00374 -0.00993 82 3PX 0.00060 -0.00205 -0.00540 0.00095 0.00430 83 3PY 0.00134 -0.00251 -0.00664 -0.00355 0.00534 84 3PZ -0.00017 0.00035 0.00107 0.00006 -0.00227 85 4XX 0.00006 -0.00012 -0.00026 -0.00007 0.00019 86 4YY -0.00005 0.00007 0.00015 0.00010 -0.00004 87 4ZZ 0.00001 -0.00005 -0.00017 -0.00000 -0.00006 88 4XY -0.00001 0.00001 0.00010 -0.00000 -0.00002 89 4XZ 0.00014 -0.00028 -0.00053 -0.00035 0.00030 90 4YZ 0.00005 -0.00009 -0.00019 -0.00010 0.00010 91 7 C 1S -0.00012 0.00007 0.00023 0.00015 -0.00030 92 2S 0.00016 -0.00010 -0.00030 -0.00004 0.00077 93 2PX -0.00024 -0.00002 0.00011 0.00004 -0.00060 94 2PY 0.00034 -0.00079 -0.00135 -0.00079 0.00087 95 2PZ 0.00121 -0.00222 -0.00437 -0.00307 0.00247 96 3S 0.00163 -0.00196 -0.00424 -0.00446 0.00252 97 3PX 0.00027 -0.00057 -0.00082 0.00008 -0.00098 98 3PY 0.00060 -0.00090 -0.00104 -0.00210 0.00029 99 3PZ 0.00085 -0.00164 -0.00307 -0.00223 0.00272 100 4XX -0.00004 0.00008 0.00011 0.00007 -0.00007 101 4YY 0.00004 -0.00007 -0.00011 -0.00008 0.00015 102 4ZZ -0.00001 -0.00000 0.00001 0.00002 -0.00003 103 4XY -0.00002 0.00002 -0.00001 0.00005 -0.00009 104 4XZ 0.00000 -0.00002 -0.00011 -0.00000 0.00010 105 4YZ 0.00003 -0.00004 -0.00006 -0.00007 0.00002 106 8 C 1S 0.00009 -0.00011 -0.00027 -0.00015 0.00022 107 2S -0.00013 0.00016 0.00036 0.00019 -0.00045 108 2PX 0.00035 -0.00044 -0.00089 -0.00057 0.00088 109 2PY 0.00014 -0.00014 -0.00047 -0.00033 0.00052 110 2PZ 0.00006 -0.00018 -0.00076 -0.00026 0.00058 111 3S -0.00112 0.00149 0.00244 0.00210 -0.00075 112 3PX 0.00060 -0.00100 -0.00242 -0.00142 0.00091 113 3PY 0.00049 -0.00064 -0.00127 -0.00068 0.00022 114 3PZ -0.00004 -0.00001 -0.00045 -0.00005 0.00052 115 4XX -0.00001 0.00001 0.00001 0.00004 0.00003 116 4YY -0.00001 0.00002 0.00004 0.00001 -0.00003 117 4ZZ 0.00004 -0.00006 -0.00014 -0.00008 0.00006 118 4XY -0.00003 0.00006 0.00014 0.00007 -0.00007 119 4XZ -0.00006 0.00013 0.00026 0.00016 -0.00016 120 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 121 9 C 1S -0.00004 0.00004 0.00010 0.00006 -0.00009 122 2S 0.00006 -0.00010 -0.00023 -0.00009 0.00022 123 2PX -0.00025 0.00045 0.00076 0.00048 -0.00057 124 2PY -0.00004 0.00010 0.00022 0.00017 -0.00012 125 2PZ -0.00063 0.00124 0.00246 0.00165 -0.00155 126 3S 0.00037 -0.00035 -0.00033 -0.00039 0.00014 127 3PX -0.00031 0.00042 0.00049 0.00056 -0.00029 128 3PY -0.00033 0.00052 0.00123 0.00075 -0.00015 129 3PZ -0.00057 0.00117 0.00245 0.00154 -0.00164 130 4XX -0.00001 0.00002 0.00006 0.00003 -0.00007 131 4YY 0.00001 -0.00001 -0.00003 -0.00002 0.00003 132 4ZZ -0.00001 0.00000 -0.00001 0.00001 0.00001 133 4XY -0.00001 0.00001 0.00001 0.00002 -0.00002 134 4XZ -0.00001 0.00001 0.00004 0.00002 -0.00003 135 4YZ 0.00000 -0.00001 -0.00003 -0.00001 0.00003 136 10 C 1S -0.00001 0.00000 0.00001 0.00001 -0.00002 137 2S 0.00003 -0.00003 -0.00009 -0.00006 0.00005 138 2PX -0.00005 0.00007 0.00022 0.00012 -0.00015 139 2PY -0.00003 0.00004 0.00013 0.00006 -0.00007 140 2PZ -0.00021 0.00043 0.00098 0.00057 -0.00071 141 3S -0.00015 0.00019 0.00035 0.00029 0.00025 142 3PX 0.00008 -0.00008 -0.00010 -0.00009 -0.00020 143 3PY -0.00016 0.00023 0.00057 0.00026 -0.00009 144 3PZ -0.00010 0.00020 0.00046 0.00027 -0.00040 145 4XX -0.00001 -0.00000 0.00001 0.00001 -0.00001 146 4YY -0.00001 0.00003 0.00004 0.00003 -0.00002 147 4ZZ 0.00002 -0.00003 -0.00006 -0.00004 0.00003 148 4XY -0.00001 0.00002 0.00004 0.00002 -0.00003 149 4XZ -0.00000 0.00001 0.00002 0.00001 -0.00002 150 4YZ -0.00004 0.00007 0.00015 0.00010 -0.00010 151 11 C 1S 0.00000 0.00001 -0.00001 -0.00000 0.00000 152 2S 0.00000 -0.00003 -0.00003 0.00000 0.00001 153 2PX 0.00002 -0.00000 -0.00008 -0.00006 0.00006 154 2PY 0.00002 -0.00004 -0.00008 -0.00004 0.00006 155 2PZ 0.00007 -0.00014 -0.00029 -0.00018 0.00019 156 3S -0.00005 0.00002 0.00015 0.00005 0.00003 157 3PX 0.00005 -0.00006 -0.00019 -0.00009 0.00006 158 3PY 0.00002 -0.00001 0.00000 -0.00003 -0.00002 159 3PZ 0.00005 -0.00010 -0.00019 -0.00013 0.00015 160 4XX 0.00000 -0.00001 -0.00002 -0.00001 0.00002 161 4YY -0.00000 0.00000 0.00000 0.00000 -0.00001 162 4ZZ -0.00000 0.00000 0.00000 0.00001 -0.00001 163 4XY 0.00000 -0.00000 -0.00001 -0.00000 0.00001 164 4XZ 0.00001 -0.00003 -0.00006 -0.00003 0.00004 165 4YZ -0.00000 0.00001 0.00001 0.00001 -0.00001 166 12 H 1S -0.00001 0.00001 0.00003 0.00001 -0.00003 167 2S -0.00002 0.00005 0.00009 0.00003 -0.00007 168 13 H 1S -0.00005 0.00010 0.00021 0.00013 -0.00014 169 2S -0.00002 0.00006 0.00012 0.00006 -0.00008 170 14 H 1S 0.00006 -0.00011 -0.00026 -0.00015 0.00018 171 2S 0.00002 -0.00003 -0.00013 -0.00006 0.00010 172 15 O 1S 0.00001 0.00000 -0.00003 -0.00002 0.00002 173 2S -0.00002 0.00001 0.00005 0.00003 -0.00004 174 2PX 0.00011 -0.00004 -0.00033 -0.00022 0.00024 175 2PY 0.00002 -0.00011 -0.00014 -0.00008 0.00006 176 2PZ 0.00033 -0.00066 -0.00127 -0.00083 0.00089 177 3S -0.00001 0.00002 0.00020 0.00007 -0.00018 178 3PX 0.00006 -0.00002 -0.00016 -0.00019 0.00014 179 3PY 0.00004 -0.00011 -0.00013 -0.00009 0.00003 180 3PZ 0.00029 -0.00057 -0.00114 -0.00071 0.00082 181 4XX -0.00000 0.00000 -0.00001 -0.00001 0.00001 182 4YY -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 183 4ZZ -0.00001 0.00000 0.00000 0.00000 -0.00001 184 4XY 0.00000 -0.00000 0.00000 -0.00001 -0.00000 185 4XZ 0.00000 -0.00001 -0.00001 -0.00001 0.00001 186 4YZ 0.00000 -0.00001 -0.00002 -0.00001 0.00001 187 16 H 1S -0.00005 0.00008 0.00012 0.00008 -0.00016 188 2S -0.00006 0.00012 0.00024 0.00008 -0.00046 189 17 H 1S -0.00003 0.00010 0.00013 0.00004 -0.00007 190 2S -0.00012 0.00025 0.00045 -0.00002 -0.00001 191 18 H 1S 0.00016 -0.00015 -0.00038 -0.00023 0.00047 192 2S 0.00019 -0.00036 -0.00032 -0.00097 0.00042 193 19 C 1S 0.00005 -0.00012 -0.00027 0.00008 -0.00004 194 2S -0.00010 0.00023 0.00042 -0.00006 0.00018 195 2PX 0.00018 -0.00058 -0.00081 0.00028 0.00002 196 2PY 0.00005 0.00006 -0.00021 0.00018 -0.00018 197 2PZ 0.00033 -0.00079 -0.00116 -0.00021 0.00034 198 3S -0.00060 0.00091 0.00307 0.00022 -0.00044 199 3PX 0.00019 -0.00043 -0.00016 -0.00044 -0.00066 200 3PY 0.00000 0.00019 -0.00020 -0.00082 0.00044 201 3PZ 0.00041 -0.00084 -0.00120 0.00008 0.00027 202 4XX 0.00003 -0.00006 -0.00012 -0.00004 0.00007 203 4YY -0.00005 0.00006 0.00008 0.00015 -0.00007 204 4ZZ -0.00000 0.00000 -0.00002 -0.00001 -0.00000 205 4XY -0.00003 0.00001 -0.00003 0.00010 -0.00006 206 4XZ 0.00001 -0.00001 -0.00002 -0.00007 0.00002 207 4YZ 0.00003 -0.00006 -0.00017 -0.00003 0.00010 208 20 H 1S -0.00006 0.00005 0.00005 0.00049 -0.00031 209 2S -0.00016 0.00022 0.00016 0.00136 -0.00072 210 21 H 1S -0.00001 0.00020 0.00019 -0.00053 0.00004 211 2S 0.00039 -0.00056 -0.00110 0.00028 -0.00067 212 22 H 1S 0.00014 -0.00024 -0.00049 -0.00026 0.00037 213 2S 0.00008 -0.00015 -0.00063 0.00005 0.00023 214 23 H 1S 0.00075 -0.00081 -0.00216 -0.00140 0.00143 215 2S 0.00156 -0.00239 -0.00785 -0.00529 -0.00256 216 24 H 1S 0.00022 -0.00089 -0.00055 -0.00031 0.00089 217 2S 0.00082 -0.00206 -0.00254 0.00048 -0.00040 218 25 H 1S 0.00153 -0.00263 -0.00611 -0.00700 -0.00257 219 2S 0.00320 -0.00596 -0.01652 -0.01361 -0.00565 220 26 H 1S 0.00019 -0.00131 0.00082 0.00527 -0.00187 221 2S 0.00094 -0.00302 -0.00106 0.00361 0.00012 222 27 H 1S 0.00853 -0.01806 -0.03192 -0.00793 0.00492 223 2S 0.00729 -0.01535 -0.03415 -0.03374 0.01205 224 28 C 1S -0.00461 0.00804 0.00301 0.01522 -0.00440 225 2S 0.00792 -0.01760 -0.00404 -0.03169 0.00899 226 2PX -0.00181 0.00519 -0.01126 -0.00414 0.00031 227 2PY -0.01565 0.03298 0.02369 0.04716 -0.02122 228 2PZ 0.00444 -0.00948 -0.00735 -0.01893 -0.01796 229 3S 0.02299 -0.03867 -0.03293 -0.09399 0.02825 230 3PX 0.00018 -0.00051 -0.01493 -0.02134 0.00557 231 3PY -0.01181 0.02104 0.03265 0.03663 -0.01861 232 3PZ 0.00322 -0.00581 -0.00961 -0.01486 -0.01919 233 4XX 0.00020 -0.00061 -0.00265 -0.00262 0.00099 234 4YY -0.00139 0.00247 0.00321 0.00677 -0.00303 235 4ZZ -0.00009 -0.00035 0.00074 -0.00041 0.00090 236 4XY -0.00144 0.00288 0.00237 0.00573 -0.00177 237 4XZ 0.00036 -0.00075 -0.00030 -0.00124 0.00095 238 4YZ 0.00057 -0.00121 -0.00123 -0.00356 -0.00072 239 29 H 1S -0.00878 0.01839 0.01331 0.02904 -0.00909 240 2S -0.01251 0.02687 0.01908 0.06217 -0.01942 241 30 H 1S 0.00354 -0.00789 0.00018 -0.01059 0.01403 242 2S 0.00088 -0.00347 -0.01004 -0.00823 0.00067 243 31 H 1S 0.00372 -0.00829 -0.00170 -0.01664 -0.00636 244 2S 0.00111 -0.00386 -0.01010 -0.00752 0.00561 245 32 H 1S -0.05336 0.10395 0.12489 -0.22926 0.05137 246 2S -0.00697 0.02442 0.09602 -0.19788 0.04538 247 33 H 1S -0.05231 0.10040 -0.13628 0.07471 0.21307 248 2S -0.00662 0.02312 -0.11573 0.06529 0.18920 249 34 H 1S -0.05232 0.10041 -0.17168 -0.03654 -0.19685 250 2S -0.00664 0.02313 -0.14697 -0.03359 -0.17483 6 7 8 9 10 6 3S 0.32092 7 3PX 0.02982 0.10268 8 3PY 0.02480 0.00266 0.09483 9 3PZ -0.00949 -0.00199 -0.00263 0.08734 10 4XX -0.00053 -0.00141 0.00088 -0.00163 0.00053 11 4YY -0.00146 0.00669 -0.00498 0.00157 -0.00023 12 4ZZ -0.00022 -0.00777 0.00162 0.00094 0.00026 13 4XY -0.00076 0.00134 0.00738 -0.00472 0.00029 14 4XZ 0.00024 -0.00199 -0.00471 -0.00865 0.00016 15 4YZ 0.00048 -0.00490 0.00187 0.00173 0.00016 16 2 C 1S -0.00331 -0.01282 -0.01124 0.00412 -0.00177 17 2S 0.01428 0.03493 0.02681 -0.01024 0.00248 18 2PX -0.11317 -0.06337 -0.08071 0.03082 0.00843 19 2PY -0.15928 -0.09719 -0.07882 0.03955 -0.00506 20 2PZ 0.05207 0.03558 0.03729 0.02337 0.00196 21 3S -0.01742 0.01525 0.02563 -0.00865 0.00172 22 3PX -0.03047 -0.03110 -0.01654 0.00813 0.00189 23 3PY -0.01181 -0.00328 -0.01128 0.00752 -0.00077 24 3PZ 0.00545 0.00546 0.00798 0.01279 0.00108 25 4XX 0.00170 -0.00436 0.00223 -0.00069 0.00032 26 4YY 0.00325 0.00293 -0.00365 -0.00099 -0.00040 27 4ZZ -0.00089 -0.00083 -0.00037 0.00234 -0.00016 28 4XY 0.01518 0.00386 0.00383 -0.00252 0.00001 29 4XZ -0.00450 -0.00099 -0.00222 -0.00225 0.00011 30 4YZ -0.00288 -0.00203 -0.00044 -0.00302 0.00014 31 3 C 1S 0.01654 0.00966 0.00252 -0.00173 -0.00195 32 2S -0.02514 -0.01944 -0.00148 0.00224 0.00392 33 2PX 0.07036 0.02568 0.03669 -0.01187 -0.00856 34 2PY 0.05078 0.01567 -0.00904 0.00268 -0.00035 35 2PZ -0.02106 -0.00554 0.00002 0.00659 0.00276 36 3S -0.02762 -0.02530 -0.00306 0.00366 0.00386 37 3PX 0.00007 -0.01379 0.01350 -0.00279 -0.00258 38 3PY 0.00248 -0.00976 -0.01517 0.00547 -0.00039 39 3PZ -0.00225 0.00384 0.00232 -0.00012 0.00189 40 4XX 0.00301 0.00319 0.00076 -0.00071 0.00012 41 4YY -0.00219 -0.00146 0.00015 -0.00001 -0.00026 42 4ZZ 0.00123 0.00048 0.00050 0.00013 -0.00017 43 4XY 0.00864 0.00504 0.00311 -0.00168 -0.00013 44 4XZ -0.00237 -0.00176 -0.00111 -0.00086 -0.00007 45 4YZ 0.00040 0.00015 -0.00029 -0.00015 0.00005 46 4 C 1S -0.00940 -0.00480 -0.00300 0.00134 0.00060 47 2S 0.02252 0.01031 0.00837 -0.00349 -0.00150 48 2PX -0.07054 -0.02832 -0.02813 0.00911 0.00284 49 2PY -0.03674 -0.01332 -0.00518 0.00222 0.00180 50 2PZ 0.01782 0.00626 0.00403 -0.00539 -0.00106 51 3S 0.05545 0.04355 0.01628 -0.00972 -0.00111 52 3PX -0.04320 -0.02220 -0.01487 0.00531 0.00130 53 3PY -0.03102 -0.01958 -0.00626 0.00213 0.00115 54 3PZ 0.01079 0.00585 0.00108 -0.00467 -0.00041 55 4XX -0.00015 -0.00051 -0.00082 0.00030 0.00011 56 4YY -0.00019 0.00009 0.00110 -0.00021 -0.00009 57 4ZZ -0.00205 -0.00064 -0.00083 0.00027 0.00011 58 4XY 0.00162 0.00047 0.00044 -0.00026 -0.00007 59 4XZ -0.00019 -0.00003 0.00013 -0.00021 -0.00007 60 4YZ -0.00087 -0.00034 -0.00087 0.00023 0.00003 61 5 C 1S 0.00223 0.00119 0.00141 -0.00003 0.00000 62 2S -0.00604 -0.00240 -0.00361 0.00047 0.00016 63 2PX 0.01949 0.00707 0.00935 -0.00005 -0.00031 64 2PY 0.00130 0.00153 0.00054 -0.00111 -0.00007 65 2PZ 0.01056 0.00458 0.00579 -0.00007 -0.00012 66 3S -0.00479 -0.00492 -0.00350 0.00312 -0.00031 67 3PX 0.00626 0.00074 0.00192 0.00035 0.00009 68 3PY 0.00120 0.00151 0.00193 -0.00060 -0.00022 69 3PZ 0.00729 0.00532 0.00394 -0.00126 -0.00005 70 4XX 0.00170 0.00066 0.00067 -0.00028 -0.00007 71 4YY 0.00034 0.00001 0.00026 0.00004 -0.00001 72 4ZZ -0.00200 -0.00082 -0.00083 0.00027 0.00007 73 4XY 0.00133 0.00046 0.00041 -0.00018 -0.00006 74 4XZ 0.00033 0.00012 0.00016 -0.00010 -0.00004 75 4YZ 0.00002 0.00004 -0.00025 -0.00003 -0.00001 76 6 C 1S -0.00359 -0.00123 -0.00142 0.00044 0.00010 77 2S 0.00725 0.00260 0.00300 -0.00082 -0.00026 78 2PX -0.01314 -0.00540 -0.00503 0.00081 0.00038 79 2PY -0.00690 -0.00305 -0.00280 0.00073 0.00021 80 2PZ 0.00407 0.00089 0.00139 -0.00060 0.00007 81 3S 0.01368 0.00733 0.00508 -0.00239 -0.00029 82 3PX -0.00666 -0.00416 -0.00141 0.00071 0.00014 83 3PY -0.00555 -0.00427 -0.00303 0.00141 0.00006 84 3PZ 0.00162 0.00011 0.00051 -0.00054 -0.00001 85 4XX -0.00058 -0.00023 -0.00023 -0.00001 0.00001 86 4YY 0.00026 0.00008 0.00013 -0.00000 -0.00001 87 4ZZ -0.00015 -0.00009 -0.00001 0.00002 0.00000 88 4XY 0.00029 0.00013 0.00010 -0.00000 0.00000 89 4XZ -0.00090 -0.00045 -0.00039 0.00007 0.00003 90 4YZ -0.00038 -0.00014 -0.00018 0.00003 0.00001 91 7 C 1S 0.00134 0.00045 0.00051 -0.00003 -0.00002 92 2S -0.00253 -0.00078 -0.00091 0.00004 0.00002 93 2PX 0.00338 0.00099 0.00116 0.00020 -0.00002 94 2PY -0.00097 -0.00100 -0.00031 0.00017 0.00006 95 2PZ -0.00672 -0.00425 -0.00319 0.00044 0.00029 96 3S -0.00843 -0.00354 -0.00429 0.00089 0.00016 97 3PX -0.00075 -0.00052 -0.00010 -0.00015 0.00011 98 3PY -0.00216 -0.00094 -0.00130 0.00023 0.00013 99 3PZ -0.00447 -0.00289 -0.00222 0.00042 0.00020 100 4XX 0.00055 0.00019 0.00020 -0.00003 -0.00002 101 4YY -0.00041 -0.00015 -0.00017 0.00004 0.00001 102 4ZZ 0.00010 0.00003 0.00003 -0.00000 -0.00000 103 4XY 0.00030 0.00009 0.00012 0.00000 -0.00001 104 4XZ -0.00021 -0.00007 -0.00007 0.00003 -0.00000 105 4YZ -0.00011 -0.00007 -0.00006 0.00000 0.00001 106 8 C 1S -0.00109 -0.00039 -0.00038 0.00006 0.00002 107 2S 0.00190 0.00066 0.00068 -0.00009 -0.00003 108 2PX -0.00298 -0.00126 -0.00126 -0.00012 0.00008 109 2PY -0.00217 -0.00081 -0.00085 0.00021 0.00001 110 2PZ -0.00034 -0.00037 -0.00003 0.00016 -0.00001 111 3S 0.00717 0.00269 0.00294 -0.00030 -0.00021 112 3PX -0.00306 -0.00170 -0.00143 0.00026 0.00009 113 3PY -0.00317 -0.00128 -0.00120 0.00015 0.00009 114 3PZ -0.00016 -0.00024 0.00000 0.00012 -0.00002 115 4XX -0.00002 0.00001 0.00002 0.00000 -0.00000 116 4YY -0.00000 0.00002 -0.00001 0.00000 -0.00000 117 4ZZ -0.00020 -0.00012 -0.00009 0.00002 0.00001 118 4XY 0.00017 0.00011 0.00007 -0.00001 -0.00001 119 4XZ 0.00034 0.00023 0.00017 -0.00003 -0.00002 120 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 121 9 C 1S 0.00029 0.00014 0.00011 0.00000 -0.00001 122 2S -0.00050 -0.00027 -0.00018 -0.00001 0.00002 123 2PX 0.00104 0.00067 0.00060 0.00014 -0.00007 124 2PY 0.00049 0.00021 0.00030 -0.00011 -0.00001 125 2PZ 0.00308 0.00214 0.00169 -0.00036 -0.00016 126 3S -0.00258 -0.00078 -0.00090 0.00006 0.00007 127 3PX 0.00173 0.00069 0.00078 0.00002 -0.00008 128 3PY 0.00123 0.00076 0.00062 -0.00020 -0.00004 129 3PZ 0.00290 0.00208 0.00160 -0.00035 -0.00014 130 4XX 0.00015 0.00007 0.00006 -0.00001 -0.00000 131 4YY -0.00009 -0.00004 -0.00004 0.00001 0.00000 132 4ZZ 0.00001 0.00000 0.00001 0.00000 -0.00000 133 4XY 0.00007 0.00002 0.00004 0.00001 -0.00000 134 4XZ 0.00002 0.00002 0.00001 -0.00001 -0.00000 135 4YZ -0.00004 -0.00002 -0.00002 0.00000 0.00000 136 10 C 1S 0.00015 0.00003 0.00007 -0.00003 -0.00000 137 2S -0.00043 -0.00011 -0.00017 0.00007 0.00001 138 2PX 0.00070 0.00022 0.00023 -0.00012 -0.00001 139 2PY 0.00013 0.00007 0.00003 -0.00002 -0.00001 140 2PZ 0.00147 0.00086 0.00063 -0.00012 -0.00003 141 3S -0.00020 0.00006 -0.00006 0.00002 -0.00001 142 3PX -0.00048 -0.00014 -0.00017 0.00003 0.00002 143 3PY 0.00066 0.00035 0.00024 -0.00010 -0.00001 144 3PZ 0.00081 0.00043 0.00033 -0.00007 -0.00002 145 4XX 0.00012 0.00003 0.00005 -0.00003 -0.00000 146 4YY -0.00003 0.00002 0.00000 0.00001 -0.00000 147 4ZZ -0.00005 -0.00004 -0.00003 0.00001 0.00000 148 4XY 0.00005 0.00003 0.00003 0.00000 -0.00000 149 4XZ -0.00002 0.00001 0.00000 -0.00000 -0.00000 150 4YZ 0.00018 0.00013 0.00011 -0.00003 -0.00001 151 11 C 1S -0.00012 -0.00002 -0.00003 0.00003 -0.00000 152 2S 0.00018 0.00001 0.00007 -0.00005 0.00000 153 2PX -0.00063 -0.00016 -0.00022 0.00013 0.00000 154 2PY -0.00017 -0.00008 -0.00007 0.00000 0.00000 155 2PZ -0.00035 -0.00025 -0.00017 0.00002 0.00001 156 3S 0.00103 0.00027 0.00037 -0.00018 -0.00001 157 3PX -0.00071 -0.00023 -0.00026 0.00012 0.00001 158 3PY -0.00002 -0.00001 -0.00001 -0.00001 0.00000 159 3PZ -0.00019 -0.00016 -0.00011 0.00001 0.00001 160 4XX -0.00003 -0.00002 -0.00002 0.00000 0.00000 161 4YY 0.00001 0.00001 0.00001 0.00000 -0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 163 4XY -0.00003 -0.00001 -0.00001 0.00000 0.00000 164 4XZ -0.00008 -0.00005 -0.00004 0.00001 0.00000 165 4YZ 0.00001 0.00001 0.00001 -0.00000 -0.00000 166 12 H 1S 0.00013 0.00004 0.00005 -0.00001 -0.00000 167 2S -0.00000 0.00004 0.00000 0.00002 -0.00000 168 13 H 1S 0.00022 0.00017 0.00011 -0.00001 -0.00001 169 2S 0.00004 0.00008 0.00001 0.00002 -0.00000 170 14 H 1S -0.00049 -0.00025 -0.00020 0.00005 0.00001 171 2S -0.00043 -0.00016 -0.00015 0.00005 0.00000 172 15 O 1S -0.00028 -0.00004 -0.00011 0.00005 0.00001 173 2S 0.00049 0.00010 0.00017 -0.00008 -0.00000 174 2PX -0.00184 -0.00051 -0.00077 0.00035 0.00003 175 2PY 0.00053 0.00007 0.00022 -0.00004 0.00001 176 2PZ -0.00084 -0.00097 -0.00076 0.00016 0.00009 177 3S 0.00083 0.00020 0.00029 -0.00017 -0.00001 178 3PX -0.00123 -0.00033 -0.00056 0.00023 0.00003 179 3PY 0.00040 0.00003 0.00016 -0.00005 0.00001 180 3PZ -0.00092 -0.00089 -0.00068 0.00016 0.00008 181 4XX -0.00007 -0.00002 -0.00004 0.00001 0.00000 182 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 183 4ZZ -0.00001 0.00000 0.00000 0.00000 -0.00000 184 4XY -0.00002 -0.00000 -0.00001 0.00001 0.00000 185 4XZ 0.00002 -0.00000 -0.00000 -0.00000 0.00000 186 4YZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 187 16 H 1S 0.00042 0.00014 0.00024 0.00005 -0.00001 188 2S 0.00083 0.00034 0.00039 0.00001 -0.00002 189 17 H 1S -0.00022 -0.00002 -0.00011 0.00004 -0.00001 190 2S -0.00000 0.00015 -0.00012 0.00005 -0.00003 191 18 H 1S -0.00221 -0.00066 -0.00089 0.00013 0.00003 192 2S -0.00220 -0.00064 -0.00116 0.00024 0.00009 193 19 C 1S -0.00000 -0.00007 0.00024 -0.00012 -0.00000 194 2S 0.00007 0.00004 -0.00028 0.00018 -0.00001 195 2PX 0.00032 -0.00013 0.00096 -0.00030 0.00007 196 2PY 0.00062 0.00045 0.00026 -0.00018 0.00002 197 2PZ -0.00019 -0.00066 0.00051 0.00022 0.00009 198 3S 0.00080 0.00107 -0.00031 0.00008 -0.00007 199 3PX -0.00062 -0.00009 0.00011 -0.00003 0.00011 200 3PY 0.00142 0.00032 -0.00029 0.00010 -0.00006 201 3PZ -0.00135 -0.00076 0.00017 0.00004 0.00017 202 4XX -0.00021 -0.00008 -0.00006 0.00001 0.00001 203 4YY 0.00028 0.00010 0.00016 -0.00004 -0.00001 204 4ZZ -0.00003 -0.00002 -0.00005 0.00002 0.00000 205 4XY 0.00027 0.00009 0.00016 -0.00004 -0.00001 206 4XZ -0.00017 -0.00006 -0.00011 0.00001 0.00000 207 4YZ -0.00020 -0.00008 -0.00003 0.00004 -0.00000 208 20 H 1S 0.00121 0.00052 0.00083 -0.00029 -0.00000 209 2S 0.00209 0.00087 0.00161 -0.00059 -0.00004 210 21 H 1S -0.00137 -0.00028 -0.00109 0.00016 -0.00003 211 2S -0.00331 -0.00110 -0.00065 -0.00010 0.00022 212 22 H 1S -0.00047 -0.00031 -0.00017 0.00031 0.00003 213 2S -0.00058 -0.00027 0.00003 0.00026 0.00000 214 23 H 1S -0.00632 -0.00209 -0.00310 0.00054 0.00022 215 2S -0.00949 -0.00482 -0.00508 0.00130 0.00059 216 24 H 1S 0.00087 -0.00048 0.00139 0.00102 0.00005 217 2S -0.00204 -0.00159 0.00276 0.00078 0.00000 218 25 H 1S -0.01696 -0.00643 -0.00928 0.00433 0.00089 219 2S -0.02221 -0.01118 -0.01281 0.00442 0.00146 220 26 H 1S 0.00063 0.00210 0.00845 -0.00172 -0.00008 221 2S -0.00535 -0.00030 0.00677 -0.00053 -0.00025 222 27 H 1S -0.04319 -0.02176 0.00238 0.00140 0.00010 223 2S -0.04721 -0.02523 -0.01228 0.00586 -0.00137 224 28 C 1S 0.02279 0.00388 0.01045 -0.00313 0.00078 225 2S -0.03499 -0.00581 -0.01755 0.00521 -0.00174 226 2PX 0.00220 -0.01294 -0.01116 0.00196 -0.00194 227 2PY 0.09824 0.03622 0.03308 -0.01856 0.00528 228 2PZ -0.02625 -0.01097 -0.01406 -0.01955 -0.00113 229 3S -0.07798 -0.02616 -0.04826 0.01522 -0.00319 230 3PX -0.00807 -0.01232 -0.01524 0.00399 -0.00106 231 3PY 0.05616 0.02841 0.02052 -0.01222 0.00304 232 3PZ -0.01465 -0.00818 -0.00866 -0.01318 -0.00047 233 4XX -0.00030 -0.00091 -0.00119 0.00061 0.00020 234 4YY 0.00268 0.00111 0.00258 -0.00160 -0.00010 235 4ZZ 0.00014 0.00086 0.00032 0.00043 0.00011 236 4XY 0.00673 0.00234 0.00358 -0.00091 0.00005 237 4XZ -0.00181 -0.00031 -0.00049 0.00175 0.00002 238 4YZ -0.00143 -0.00048 -0.00157 -0.00109 0.00003 239 29 H 1S 0.04662 0.01479 0.01547 -0.00568 0.00089 240 2S 0.06170 0.01871 0.03361 -0.01115 0.00091 241 30 H 1S -0.01002 0.00407 -0.00016 0.01430 0.00078 242 2S -0.00328 -0.00055 0.00096 0.00993 0.00158 243 31 H 1S -0.00992 0.00133 -0.00683 -0.01252 0.00061 244 2S -0.00289 -0.00279 -0.00325 -0.00854 0.00083 245 32 H 1S 0.08587 0.05582 -0.11170 0.02553 -0.00363 246 2S 0.00280 0.04022 -0.09611 0.02260 -0.00361 247 33 H 1S 0.08525 -0.06817 0.03502 0.09628 -0.00058 248 2S 0.00926 -0.05830 0.02955 0.08237 -0.00030 249 34 H 1S 0.08535 -0.08412 -0.01528 -0.08852 0.00333 250 2S 0.00916 -0.07160 -0.01369 -0.07528 0.00362 11 12 13 14 15 11 4YY 0.00129 12 4ZZ -0.00054 0.00091 13 4XY -0.00035 -0.00011 0.00107 14 4XZ 0.00008 -0.00019 0.00016 0.00169 15 4YZ -0.00050 0.00039 0.00003 0.00003 0.00047 16 2 C 1S -0.00241 0.00194 -0.00497 0.00177 0.00197 17 2S 0.00371 -0.00441 0.00943 -0.00333 -0.00369 18 2PX -0.00677 0.00400 -0.00414 0.00161 0.00484 19 2PY 0.00671 0.00368 -0.00706 0.00529 0.00205 20 2PZ 0.00209 -0.00601 0.00526 0.00688 0.00541 21 3S 0.00201 -0.00239 0.00783 -0.00276 -0.00238 22 3PX -0.00266 0.00227 -0.00156 0.00106 0.00224 23 3PY 0.00216 -0.00068 -0.00055 0.00200 0.00053 24 3PZ 0.00174 -0.00316 0.00256 0.00612 0.00360 25 4XX -0.00063 0.00039 0.00016 0.00012 0.00037 26 4YY 0.00061 -0.00030 -0.00042 0.00025 -0.00030 27 4ZZ -0.00012 0.00020 -0.00043 -0.00014 0.00014 28 4XY -0.00018 -0.00015 0.00036 0.00020 0.00005 29 4XZ 0.00019 -0.00023 0.00015 0.00097 0.00013 30 4YZ -0.00026 0.00016 0.00006 0.00024 0.00007 31 3 C 1S 0.00140 -0.00053 -0.00050 0.00028 -0.00062 32 2S -0.00293 0.00113 0.00106 -0.00065 0.00121 33 2PX 0.00513 -0.00118 -0.00266 0.00258 -0.00118 34 2PY 0.00166 -0.00081 0.00135 0.00322 0.00117 35 2PZ 0.00198 -0.00450 0.00388 0.01144 0.00518 36 3S -0.00330 0.00143 0.00072 0.00024 0.00191 37 3PX 0.00095 0.00090 -0.00050 0.00148 0.00056 38 3PY 0.00138 -0.00013 -0.00014 0.00326 0.00125 39 3PZ 0.00155 -0.00359 0.00319 0.00874 0.00346 40 4XX 0.00006 -0.00021 0.00034 -0.00018 -0.00017 41 4YY 0.00016 0.00003 -0.00025 0.00013 -0.00000 42 4ZZ 0.00008 -0.00001 -0.00005 0.00007 0.00002 43 4XY -0.00001 -0.00017 0.00014 -0.00016 -0.00017 44 4XZ -0.00014 0.00028 -0.00023 -0.00037 -0.00022 45 4YZ -0.00002 -0.00002 0.00007 0.00006 0.00003 46 4 C 1S -0.00042 0.00007 0.00007 -0.00012 0.00013 47 2S 0.00088 -0.00037 -0.00006 0.00014 -0.00042 48 2PX -0.00191 0.00065 0.00013 -0.00025 0.00079 49 2PY -0.00097 0.00037 -0.00021 -0.00058 0.00012 50 2PZ 0.00002 0.00049 -0.00045 -0.00127 -0.00096 51 3S 0.00148 -0.00249 0.00103 -0.00023 -0.00139 52 3PX -0.00071 0.00050 0.00004 0.00076 0.00082 53 3PY -0.00085 0.00083 -0.00028 0.00057 0.00079 54 3PZ 0.00007 -0.00001 -0.00009 -0.00049 -0.00057 55 4XX -0.00010 0.00008 0.00001 -0.00006 0.00003 56 4YY 0.00005 0.00000 -0.00007 -0.00007 -0.00006 57 4ZZ -0.00002 -0.00004 0.00007 0.00012 0.00007 58 4XY -0.00002 0.00007 -0.00007 -0.00016 -0.00008 59 4XZ -0.00010 0.00017 -0.00016 -0.00049 -0.00021 60 4YZ -0.00008 0.00008 -0.00003 -0.00018 -0.00004 61 5 C 1S 0.00021 -0.00027 0.00018 0.00065 0.00026 62 2S -0.00046 0.00049 -0.00031 -0.00117 -0.00041 63 2PX 0.00088 -0.00099 0.00061 0.00198 0.00074 64 2PY 0.00022 -0.00014 0.00005 0.00053 0.00018 65 2PZ 0.00076 -0.00063 0.00045 0.00155 0.00058 66 3S -0.00142 0.00209 -0.00146 -0.00476 -0.00156 67 3PX 0.00013 -0.00020 0.00019 0.00073 0.00040 68 3PY 0.00001 0.00012 -0.00013 -0.00055 -0.00025 69 3PZ 0.00068 -0.00079 0.00050 0.00138 0.00034 70 4XX 0.00007 -0.00005 0.00002 0.00011 0.00002 71 4YY 0.00002 -0.00002 0.00001 0.00004 0.00002 72 4ZZ -0.00005 0.00003 -0.00001 -0.00002 0.00002 73 4XY 0.00005 -0.00004 0.00003 0.00011 0.00003 74 4XZ 0.00000 0.00001 -0.00002 -0.00005 -0.00004 75 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 76 6 C 1S -0.00013 0.00007 -0.00006 -0.00021 -0.00005 77 2S 0.00025 -0.00017 0.00009 0.00036 0.00007 78 2PX -0.00047 0.00051 -0.00026 -0.00088 -0.00025 79 2PY -0.00031 0.00022 -0.00008 -0.00051 -0.00015 80 2PZ 0.00016 -0.00018 0.00024 0.00046 0.00015 81 3S 0.00083 -0.00102 0.00068 0.00196 0.00050 82 3PX -0.00048 0.00057 -0.00021 -0.00101 -0.00023 83 3PY -0.00038 0.00058 -0.00040 -0.00090 -0.00022 84 3PZ 0.00015 -0.00015 0.00018 0.00043 0.00011 85 4XX -0.00002 0.00003 -0.00002 -0.00005 -0.00002 86 4YY 0.00000 -0.00000 0.00000 -0.00001 -0.00001 87 4ZZ 0.00000 -0.00000 0.00001 0.00002 0.00001 88 4XY 0.00000 -0.00001 0.00001 0.00001 0.00000 89 4XZ -0.00004 0.00004 -0.00002 -0.00007 -0.00002 90 4YZ -0.00002 0.00001 -0.00001 -0.00002 -0.00000 91 7 C 1S 0.00003 -0.00007 0.00004 0.00008 0.00003 92 2S -0.00008 0.00013 -0.00009 -0.00023 -0.00008 93 2PX 0.00007 -0.00018 0.00013 0.00024 0.00010 94 2PY -0.00007 0.00007 -0.00003 -0.00014 -0.00003 95 2PZ -0.00036 0.00036 -0.00012 -0.00053 -0.00011 96 3S -0.00020 0.00030 -0.00030 -0.00035 -0.00009 97 3PX -0.00005 -0.00008 0.00014 0.00021 0.00011 98 3PY -0.00005 -0.00000 -0.00002 0.00002 0.00002 99 3PZ -0.00031 0.00032 -0.00016 -0.00059 -0.00016 100 4XX 0.00002 -0.00001 0.00000 0.00002 0.00001 101 4YY -0.00002 0.00002 -0.00001 -0.00004 -0.00001 102 4ZZ 0.00000 -0.00000 0.00000 0.00001 0.00000 103 4XY 0.00001 -0.00001 0.00001 0.00003 0.00001 104 4XZ -0.00001 0.00001 -0.00001 -0.00002 -0.00000 105 4YZ -0.00001 0.00000 0.00000 -0.00000 -0.00000 106 8 C 1S -0.00003 0.00004 -0.00003 -0.00006 -0.00002 107 2S 0.00006 -0.00007 0.00005 0.00013 0.00004 108 2PX -0.00013 0.00017 -0.00009 -0.00026 -0.00009 109 2PY -0.00005 0.00008 -0.00006 -0.00013 -0.00004 110 2PZ -0.00002 0.00003 -0.00004 -0.00005 0.00000 111 3S 0.00020 -0.00015 0.00007 0.00016 0.00002 112 3PX -0.00012 0.00014 -0.00008 -0.00012 -0.00000 113 3PY -0.00009 0.00006 -0.00002 -0.00005 0.00001 114 3PZ -0.00002 0.00003 -0.00004 -0.00006 -0.00001 115 4XX -0.00000 0.00000 -0.00000 -0.00001 -0.00000 116 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 117 4ZZ -0.00001 0.00001 -0.00000 -0.00001 -0.00000 118 4XY 0.00001 -0.00001 0.00000 0.00001 0.00000 119 4XZ 0.00002 -0.00002 0.00001 0.00003 0.00001 120 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 121 9 C 1S 0.00001 -0.00002 0.00001 0.00002 0.00001 122 2S -0.00003 0.00004 -0.00002 -0.00006 -0.00002 123 2PX 0.00009 -0.00010 0.00003 0.00016 0.00005 124 2PY 0.00002 -0.00001 0.00000 0.00003 0.00001 125 2PZ 0.00021 -0.00020 0.00007 0.00033 0.00007 126 3S -0.00007 0.00004 -0.00002 -0.00007 -0.00002 127 3PX 0.00007 -0.00005 0.00001 0.00010 0.00003 128 3PY 0.00004 -0.00003 0.00001 -0.00002 -0.00003 129 3PZ 0.00020 -0.00021 0.00008 0.00034 0.00007 130 4XX 0.00001 -0.00001 0.00001 0.00001 0.00000 131 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 132 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 133 4XY 0.00000 -0.00000 0.00000 0.00001 0.00000 134 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 135 4YZ -0.00000 0.00000 -0.00000 -0.00001 -0.00000 136 10 C 1S 0.00000 -0.00000 0.00000 0.00001 0.00000 137 2S -0.00001 0.00001 -0.00001 -0.00001 -0.00000 138 2PX 0.00002 -0.00002 0.00001 0.00003 0.00000 139 2PY 0.00001 -0.00001 0.00000 0.00001 -0.00000 140 2PZ 0.00008 -0.00007 0.00004 0.00014 0.00003 141 3S -0.00001 0.00003 -0.00002 -0.00009 -0.00004 142 3PX -0.00000 -0.00001 0.00002 0.00004 0.00002 143 3PY 0.00002 -0.00002 0.00001 -0.00001 -0.00001 144 3PZ 0.00004 -0.00004 0.00003 0.00008 0.00002 145 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 146 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 147 4ZZ -0.00000 0.00000 -0.00000 -0.00001 -0.00000 148 4XY 0.00000 -0.00000 0.00000 0.00001 0.00000 149 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 150 4YZ 0.00001 -0.00001 0.00001 0.00002 0.00000 151 11 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 152 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 153 2PX -0.00001 0.00001 -0.00001 -0.00001 -0.00000 154 2PY -0.00001 0.00001 -0.00000 -0.00001 -0.00000 155 2PZ -0.00002 0.00002 -0.00001 -0.00004 -0.00001 156 3S 0.00001 -0.00001 0.00001 -0.00001 -0.00001 157 3PX -0.00001 0.00001 -0.00001 -0.00001 0.00000 158 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 159 3PZ -0.00002 0.00002 -0.00001 -0.00003 -0.00001 160 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 161 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 163 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 164 4XZ -0.00000 0.00000 -0.00000 -0.00001 -0.00000 165 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 -0.00001 0.00000 0.00001 0.00000 167 2S 0.00001 -0.00001 0.00000 0.00001 0.00000 168 13 H 1S 0.00002 -0.00002 0.00001 0.00003 0.00001 169 2S 0.00001 -0.00001 0.00000 0.00001 0.00000 170 14 H 1S -0.00002 0.00002 -0.00001 -0.00004 -0.00001 171 2S -0.00001 0.00001 -0.00001 -0.00002 -0.00000 172 15 O 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 173 2S 0.00001 -0.00000 0.00001 0.00001 0.00000 174 2PX -0.00004 0.00005 -0.00004 -0.00006 -0.00000 175 2PY -0.00000 -0.00001 0.00001 0.00000 0.00001 176 2PZ -0.00011 0.00012 -0.00003 -0.00019 -0.00004 177 3S 0.00002 -0.00002 0.00002 0.00003 0.00000 178 3PX -0.00003 0.00003 -0.00002 -0.00004 -0.00000 179 3PY -0.00000 -0.00001 0.00001 0.00001 0.00001 180 3PZ -0.00010 0.00011 -0.00004 -0.00017 -0.00004 181 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 182 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 183 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 184 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 185 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 186 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 187 16 H 1S 0.00002 -0.00003 0.00001 0.00006 0.00002 188 2S 0.00004 -0.00007 0.00004 0.00013 0.00005 189 17 H 1S 0.00001 -0.00000 -0.00000 0.00001 -0.00000 190 2S 0.00003 -0.00000 -0.00002 -0.00000 -0.00002 191 18 H 1S -0.00007 0.00008 -0.00005 -0.00014 -0.00004 192 2S -0.00008 0.00004 -0.00003 -0.00010 -0.00003 193 19 C 1S 0.00001 -0.00001 0.00001 0.00003 0.00001 194 2S -0.00003 0.00002 -0.00001 -0.00007 -0.00003 195 2PX -0.00005 -0.00001 0.00004 -0.00000 0.00003 196 2PY 0.00005 -0.00002 -0.00001 0.00011 0.00006 197 2PZ -0.00007 0.00006 -0.00000 -0.00009 0.00000 198 3S 0.00010 -0.00010 0.00004 -0.00003 -0.00009 199 3PX 0.00001 -0.00009 0.00008 0.00018 0.00008 200 3PY 0.00006 0.00003 -0.00006 0.00005 0.00002 201 3PZ -0.00016 0.00006 0.00002 -0.00014 0.00000 202 4XX -0.00001 0.00001 -0.00001 -0.00001 -0.00000 203 4YY 0.00000 -0.00001 0.00001 0.00001 0.00000 204 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 205 4XY 0.00001 -0.00001 0.00000 0.00002 0.00001 206 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 207 4YZ -0.00001 0.00001 -0.00001 -0.00002 -0.00000 208 20 H 1S 0.00003 -0.00005 0.00003 0.00009 0.00004 209 2S 0.00004 -0.00007 0.00005 0.00013 0.00005 210 21 H 1S 0.00002 0.00000 -0.00003 0.00001 -0.00002 211 2S -0.00016 -0.00001 0.00008 0.00005 0.00007 212 22 H 1S -0.00003 0.00005 -0.00003 -0.00006 -0.00000 213 2S -0.00000 0.00004 -0.00004 -0.00002 0.00001 214 23 H 1S -0.00013 0.00021 -0.00009 -0.00016 0.00002 215 2S -0.00002 -0.00015 0.00032 0.00131 0.00076 216 24 H 1S -0.00003 0.00002 -0.00003 -0.00020 -0.00004 217 2S 0.00014 -0.00012 0.00004 0.00021 0.00010 218 25 H 1S -0.00003 -0.00055 0.00067 0.00176 0.00103 219 2S -0.00022 -0.00053 0.00086 0.00275 0.00159 220 26 H 1S 0.00022 -0.00029 0.00001 0.00013 -0.00006 221 2S 0.00036 -0.00024 -0.00018 -0.00005 -0.00020 222 27 H 1S -0.00027 0.00041 -0.00123 0.00035 0.00035 223 2S 0.00151 0.00039 -0.00262 0.00095 -0.00008 224 28 C 1S -0.00191 -0.00006 0.00069 -0.00025 0.00056 225 2S 0.00353 -0.00042 -0.00134 0.00045 -0.00122 226 2PX 0.00111 0.00073 0.00057 0.00017 -0.00004 227 2PY -0.00930 0.00031 0.00156 -0.00052 0.00364 228 2PZ 0.00324 -0.00111 -0.00005 0.00118 0.00053 229 3S 0.00550 0.00015 -0.00463 0.00155 -0.00137 230 3PX 0.00089 0.00055 -0.00064 0.00047 0.00006 231 3PY -0.00431 -0.00063 0.00201 -0.00048 0.00134 232 3PZ 0.00157 -0.00062 0.00006 0.00184 0.00050 233 4XX -0.00023 0.00010 -0.00010 0.00006 0.00014 234 4YY 0.00006 -0.00004 0.00037 -0.00020 -0.00018 235 4ZZ -0.00005 -0.00007 -0.00006 0.00007 0.00009 236 4XY -0.00037 0.00000 0.00016 0.00000 0.00011 237 4XZ 0.00014 -0.00008 0.00003 0.00025 0.00001 238 4YZ -0.00011 0.00013 -0.00024 -0.00014 -0.00012 239 29 H 1S -0.00303 0.00028 0.00119 -0.00039 0.00099 240 2S -0.00370 0.00021 0.00252 -0.00064 0.00111 241 30 H 1S -0.00015 -0.00016 -0.00073 0.00062 -0.00029 242 2S -0.00088 -0.00032 0.00020 0.00251 0.00093 243 31 H 1S 0.00020 -0.00032 -0.00098 -0.00032 0.00029 244 2S -0.00130 0.00087 -0.00127 -0.00232 0.00016 245 32 H 1S 0.01073 -0.00598 -0.01088 0.00263 -0.00457 246 2S 0.00992 -0.00499 -0.00906 0.00222 -0.00416 247 33 H 1S -0.00633 0.00799 -0.00465 -0.01201 0.00577 248 2S -0.00585 0.00727 -0.00393 -0.01238 0.00411 249 34 H 1S -0.00719 0.00495 0.00227 0.01390 0.00344 250 2S -0.00582 0.00332 0.00316 0.01350 0.00353 16 17 18 19 20 16 2 C 1S 2.05250 17 2S -0.06518 0.33430 18 2PX -0.00674 0.00723 0.42242 19 2PY 0.00123 -0.00281 -0.00523 0.39288 20 2PZ 0.00004 0.00064 -0.00541 -0.01513 0.34052 21 3S -0.15414 0.24254 0.00722 0.01587 -0.00908 22 3PX 0.01081 -0.03005 0.09962 0.01313 0.00383 23 3PY -0.00249 0.00531 -0.00022 0.06058 0.03995 24 3PZ -0.00037 0.00156 0.00998 0.04120 0.20536 25 4XX -0.01678 -0.00301 0.00904 -0.00451 0.00220 26 4YY -0.01586 -0.00564 -0.01234 0.00557 -0.00185 27 4ZZ -0.01159 -0.01475 -0.00144 -0.00031 -0.00051 28 4XY 0.00010 -0.00050 -0.00611 -0.01152 0.00709 29 4XZ 0.00055 -0.00113 0.00175 0.00722 0.01121 30 4YZ 0.00145 -0.00306 0.00408 -0.00158 -0.00283 31 3 C 1S 0.02069 -0.04087 -0.08608 0.01519 0.00379 32 2S -0.04047 0.07016 0.16790 -0.03243 -0.00837 33 2PX 0.08392 -0.16751 -0.29040 0.06646 0.03525 34 2PY -0.02155 0.04265 0.08399 0.03579 0.07067 35 2PZ -0.00157 0.00344 0.03027 0.07126 0.29736 36 3S -0.01278 0.04596 0.15785 -0.02491 0.00817 37 3PX 0.01704 -0.04606 -0.08441 0.06056 0.01247 38 3PY -0.00445 0.01395 0.03050 0.06650 0.05157 39 3PZ -0.00077 0.00131 0.02124 0.03933 0.21676 40 4XX -0.00552 0.00996 0.00213 -0.00584 -0.00040 41 4YY 0.00327 -0.00760 -0.01042 0.00610 -0.00014 42 4ZZ 0.00235 -0.00509 -0.00744 0.00136 0.00198 43 4XY 0.00197 -0.00381 -0.00642 -0.01154 -0.00011 44 4XZ 0.00035 -0.00067 -0.00085 -0.00021 -0.01485 45 4YZ -0.00049 0.00121 0.00168 -0.00015 0.00167 46 4 C 1S -0.00353 0.00719 0.01222 0.00401 -0.00334 47 2S 0.00801 -0.01625 -0.03123 -0.00581 0.00513 48 2PX -0.01636 0.03765 0.05497 0.00860 -0.00710 49 2PY -0.00339 0.00862 0.02195 -0.00216 -0.01238 50 2PZ 0.00297 -0.00647 -0.01606 -0.00895 -0.02984 51 3S 0.00581 -0.01339 -0.03693 -0.07381 0.02683 52 3PX -0.00727 0.01871 0.02498 0.02711 0.00855 53 3PY -0.00157 0.00233 0.02956 0.01903 0.00136 54 3PZ 0.00051 -0.00070 -0.00760 -0.00847 -0.01370 55 4XX -0.00164 0.00315 0.00756 -0.00033 -0.00178 56 4YY 0.00133 -0.00263 -0.00530 0.00007 -0.00171 57 4ZZ -0.00058 0.00125 0.00143 0.00062 0.00317 58 4XY 0.00005 -0.00035 0.00050 -0.00154 -0.00400 59 4XZ 0.00019 -0.00031 -0.00210 -0.00307 -0.01166 60 4YZ -0.00070 0.00147 0.00172 -0.00117 -0.00407 61 5 C 1S 0.00120 -0.00233 -0.00261 0.00459 0.01551 62 2S -0.00278 0.00616 0.00757 -0.00850 -0.02745 63 2PX 0.00335 -0.00725 -0.00711 0.01311 0.04653 64 2PY 0.00267 -0.00536 -0.00815 0.00647 0.01148 65 2PZ 0.00369 -0.00993 -0.01055 0.00788 0.03579 66 3S -0.00397 0.00727 0.00943 -0.02564 -0.11051 67 3PX -0.00047 0.00079 0.01022 0.00616 0.01447 68 3PY 0.00167 -0.00291 -0.01148 -0.00261 -0.01065 69 3PZ 0.00222 -0.00575 -0.01065 0.00218 0.03305 70 4XX 0.00057 -0.00110 -0.00163 0.00068 0.00255 71 4YY 0.00015 -0.00024 -0.00016 0.00044 0.00088 72 4ZZ -0.00038 0.00093 0.00185 0.00021 -0.00048 73 4XY 0.00036 -0.00072 -0.00127 0.00093 0.00249 74 4XZ 0.00017 -0.00023 -0.00077 -0.00048 -0.00112 75 4YZ -0.00003 0.00002 -0.00026 0.00011 0.00030 76 6 C 1S -0.00061 0.00158 0.00214 -0.00122 -0.00482 77 2S 0.00167 -0.00357 -0.00574 0.00282 0.00807 78 2PX -0.00247 0.00467 0.00751 -0.00693 -0.02034 79 2PY -0.00203 0.00395 0.00590 -0.00435 -0.01137 80 2PZ 0.00006 -0.00018 -0.00105 0.00140 0.01189 81 3S 0.00296 -0.00667 -0.01339 0.00884 0.04774 82 3PX -0.00160 0.00334 0.00335 -0.00438 -0.02264 83 3PY -0.00148 0.00345 0.00867 -0.00079 -0.02448 84 3PZ 0.00041 -0.00052 -0.00297 0.00281 0.01033 85 4XX -0.00008 0.00020 0.00010 -0.00023 -0.00121 86 4YY 0.00003 -0.00001 -0.00014 -0.00012 -0.00010 87 4ZZ 0.00005 -0.00007 -0.00006 0.00027 0.00047 88 4XY -0.00003 0.00009 0.00011 -0.00006 0.00022 89 4XZ -0.00027 0.00060 0.00097 -0.00033 -0.00153 90 4YZ -0.00010 0.00021 0.00032 -0.00008 -0.00055 91 7 C 1S 0.00006 -0.00011 -0.00007 0.00057 0.00208 92 2S -0.00013 0.00021 -0.00024 -0.00154 -0.00533 93 2PX -0.00014 0.00066 0.00111 0.00180 0.00584 94 2PY -0.00059 0.00110 0.00213 -0.00063 -0.00335 95 2PZ -0.00223 0.00483 0.00788 -0.00268 -0.01182 96 3S -0.00065 0.00187 0.00615 0.00017 -0.01153 97 3PX -0.00056 0.00117 0.00170 0.00120 0.00570 98 3PY -0.00073 0.00128 0.00391 -0.00039 -0.00011 99 3PZ -0.00173 0.00376 0.00629 -0.00355 -0.01318 100 4XX 0.00011 -0.00021 -0.00023 0.00026 0.00049 101 4YY -0.00009 0.00018 0.00025 -0.00028 -0.00084 102 4ZZ -0.00001 0.00001 0.00001 0.00005 0.00016 103 4XY 0.00005 -0.00007 -0.00006 0.00029 0.00063 104 4XZ -0.00000 0.00001 0.00004 -0.00001 -0.00047 105 4YZ -0.00007 0.00013 0.00022 -0.00006 -0.00008 106 8 C 1S -0.00009 0.00019 0.00030 -0.00033 -0.00135 107 2S 0.00017 -0.00031 -0.00032 0.00092 0.00294 108 2PX -0.00041 0.00062 0.00106 -0.00174 -0.00586 109 2PY -0.00025 0.00046 0.00078 -0.00072 -0.00312 110 2PZ -0.00017 0.00035 0.00114 0.00028 -0.00153 111 3S 0.00102 -0.00216 -0.00420 0.00084 0.00397 112 3PX -0.00051 0.00102 0.00320 0.00051 -0.00378 113 3PY -0.00045 0.00099 0.00190 -0.00014 -0.00118 114 3PZ -0.00009 0.00018 0.00040 0.00010 -0.00173 115 4XX 0.00001 -0.00004 -0.00009 -0.00005 -0.00018 116 4YY 0.00001 -0.00002 -0.00003 0.00001 0.00008 117 4ZZ -0.00005 0.00012 0.00021 -0.00002 -0.00026 118 4XY 0.00004 -0.00008 -0.00017 0.00003 0.00034 119 4XZ 0.00012 -0.00028 -0.00044 0.00015 0.00072 120 4YZ 0.00000 -0.00001 -0.00001 -0.00001 -0.00002 121 9 C 1S 0.00004 -0.00005 -0.00013 0.00016 0.00055 122 2S -0.00008 0.00010 0.00021 -0.00037 -0.00135 123 2PX 0.00034 -0.00063 -0.00103 0.00101 0.00341 124 2PY 0.00012 -0.00037 -0.00045 0.00013 0.00060 125 2PZ 0.00116 -0.00264 -0.00428 0.00158 0.00713 126 3S -0.00025 0.00063 0.00065 -0.00087 -0.00130 127 3PX 0.00039 -0.00083 -0.00119 0.00097 0.00189 128 3PY 0.00021 -0.00062 -0.00173 -0.00082 0.00009 129 3PZ 0.00114 -0.00254 -0.00413 0.00154 0.00748 130 4XX 0.00002 -0.00004 -0.00007 0.00007 0.00035 131 4YY -0.00001 0.00003 0.00004 -0.00002 -0.00013 132 4ZZ -0.00000 0.00000 0.00000 0.00001 -0.00001 133 4XY 0.00001 -0.00002 -0.00002 0.00006 0.00015 134 4XZ 0.00001 -0.00002 -0.00007 0.00000 0.00010 135 4YZ -0.00001 0.00002 0.00004 -0.00002 -0.00012 136 10 C 1S 0.00001 -0.00003 -0.00003 0.00005 0.00016 137 2S -0.00002 0.00009 0.00012 -0.00003 -0.00029 138 2PX 0.00008 -0.00024 -0.00035 0.00010 0.00069 139 2PY 0.00002 -0.00010 -0.00021 -0.00003 0.00014 140 2PZ 0.00039 -0.00087 -0.00153 0.00054 0.00314 141 3S -0.00004 0.00000 -0.00051 -0.00085 -0.00182 142 3PX -0.00005 0.00015 0.00029 0.00024 0.00097 143 3PY 0.00001 -0.00017 -0.00055 -0.00048 0.00009 144 3PZ 0.00021 -0.00046 -0.00080 0.00039 0.00175 145 4XX 0.00001 -0.00003 -0.00003 0.00003 0.00009 146 4YY 0.00002 -0.00004 -0.00008 0.00002 0.00005 147 4ZZ -0.00002 0.00005 0.00010 -0.00003 -0.00015 148 4XY 0.00002 -0.00004 -0.00007 0.00005 0.00017 149 4XZ 0.00001 -0.00002 -0.00004 0.00001 0.00006 150 4YZ 0.00007 -0.00016 -0.00026 0.00010 0.00048 151 11 C 1S -0.00000 0.00002 0.00002 0.00001 -0.00000 152 2S -0.00001 -0.00002 0.00000 0.00001 -0.00000 153 2PX -0.00004 0.00015 0.00018 -0.00008 -0.00039 154 2PY -0.00003 0.00006 0.00010 -0.00007 -0.00031 155 2PZ -0.00013 0.00028 0.00047 -0.00017 -0.00083 156 3S 0.00006 -0.00024 -0.00031 -0.00009 -0.00007 157 3PX -0.00007 0.00020 0.00031 -0.00000 -0.00031 158 3PY 0.00001 0.00000 -0.00000 0.00003 0.00011 159 3PZ -0.00010 0.00021 0.00035 -0.00019 -0.00069 160 4XX -0.00001 0.00002 0.00003 -0.00001 -0.00008 161 4YY 0.00000 -0.00001 -0.00001 0.00002 0.00004 162 4ZZ 0.00000 -0.00001 -0.00001 0.00001 0.00003 163 4XY -0.00000 0.00001 0.00001 -0.00001 -0.00003 164 4XZ -0.00002 0.00005 0.00009 -0.00003 -0.00017 165 4YZ 0.00001 -0.00001 -0.00002 0.00001 0.00004 166 12 H 1S 0.00001 -0.00002 -0.00003 0.00005 0.00018 167 2S 0.00002 -0.00002 -0.00008 0.00005 0.00032 168 13 H 1S 0.00009 -0.00020 -0.00034 0.00011 0.00060 169 2S 0.00004 -0.00007 -0.00015 0.00001 0.00027 170 14 H 1S -0.00011 0.00025 0.00041 -0.00017 -0.00086 171 2S -0.00005 0.00013 0.00019 -0.00008 -0.00051 172 15 O 1S -0.00001 0.00006 0.00005 -0.00002 -0.00011 173 2S 0.00001 -0.00009 -0.00007 0.00005 0.00027 174 2PX -0.00012 0.00050 0.00065 -0.00028 -0.00139 175 2PY -0.00006 0.00010 0.00022 0.00005 0.00008 176 2PZ -0.00060 0.00129 0.00221 -0.00096 -0.00410 177 3S 0.00004 -0.00015 -0.00022 0.00010 0.00088 178 3PX -0.00016 0.00042 0.00061 -0.00033 -0.00086 179 3PY -0.00004 0.00008 0.00021 0.00010 0.00016 180 3PZ -0.00050 0.00111 0.00191 -0.00082 -0.00376 181 4XX -0.00002 0.00003 0.00004 -0.00003 -0.00006 182 4YY -0.00001 0.00001 0.00003 0.00000 0.00004 183 4ZZ -0.00001 -0.00000 0.00001 0.00001 0.00005 184 4XY -0.00001 0.00001 0.00002 -0.00001 0.00002 185 4XZ -0.00001 0.00001 0.00002 -0.00001 -0.00003 186 4YZ -0.00001 0.00002 0.00003 -0.00002 -0.00007 187 16 H 1S 0.00007 -0.00011 -0.00010 0.00040 0.00119 188 2S 0.00014 -0.00021 -0.00015 0.00081 0.00278 189 17 H 1S 0.00003 -0.00005 -0.00013 0.00002 0.00010 190 2S 0.00009 -0.00016 -0.00052 0.00005 -0.00025 191 18 H 1S -0.00017 0.00044 0.00046 -0.00094 -0.00321 192 2S -0.00070 0.00115 0.00253 -0.00153 -0.00204 193 19 C 1S 0.00018 -0.00032 -0.00047 0.00033 0.00054 194 2S -0.00039 0.00070 0.00123 -0.00090 -0.00160 195 2PX 0.00038 -0.00051 -0.00068 -0.00025 0.00033 196 2PY 0.00056 -0.00087 -0.00123 0.00136 0.00239 197 2PZ -0.00002 0.00015 0.00059 -0.00061 -0.00176 198 3S -0.00079 0.00150 -0.00054 -0.00150 0.00067 199 3PX -0.00008 0.00020 0.00094 0.00019 0.00464 200 3PY 0.00013 -0.00000 0.00033 0.00256 -0.00019 201 3PZ -0.00046 0.00085 0.00259 -0.00275 -0.00217 202 4XX -0.00001 0.00003 0.00006 -0.00004 -0.00029 203 4YY 0.00006 -0.00014 -0.00022 0.00000 0.00030 204 4ZZ -0.00004 0.00007 0.00016 -0.00001 0.00000 205 4XY 0.00012 -0.00021 -0.00035 0.00033 0.00049 206 4XZ -0.00005 0.00011 0.00013 -0.00001 -0.00011 207 4YZ 0.00002 -0.00003 0.00003 0.00001 -0.00046 208 20 H 1S 0.00054 -0.00089 -0.00148 0.00078 0.00220 209 2S 0.00113 -0.00210 -0.00352 0.00085 0.00327 210 21 H 1S -0.00040 0.00068 0.00080 0.00052 -0.00017 211 2S -0.00056 0.00084 0.00333 -0.00301 0.00246 212 22 H 1S -0.00013 0.00027 0.00088 -0.00028 -0.00158 213 2S 0.00031 -0.00074 -0.00087 0.00048 -0.00093 214 23 H 1S -0.00065 0.00049 0.00224 -0.00067 -0.00493 215 2S -0.00161 0.00288 0.01352 0.01227 0.02749 216 24 H 1S -0.00089 0.00128 0.00360 -0.00267 -0.00458 217 2S 0.00124 -0.00230 -0.00473 0.00330 0.00499 218 25 H 1S -0.00549 0.01234 0.02223 0.01137 0.04083 219 2S -0.00780 0.01636 0.04011 0.02273 0.05786 220 26 H 1S 0.00664 -0.01330 -0.02132 -0.00339 0.00615 221 2S 0.00651 -0.01177 -0.03398 0.00838 -0.00101 222 27 H 1S 0.01337 -0.03016 -0.03478 0.02263 -0.00348 223 2S 0.01820 -0.03701 -0.06632 0.07232 -0.01238 224 28 C 1S 0.01265 -0.02349 0.02498 -0.06072 0.01452 225 2S -0.02312 0.04020 -0.05086 0.11642 -0.02769 226 2PX -0.02999 0.06317 -0.04362 0.12780 -0.02833 227 2PY 0.06176 -0.12758 0.11517 -0.24522 0.06722 228 2PZ -0.01420 0.02906 -0.02431 0.06602 0.02222 229 3S -0.00353 0.01474 -0.05504 0.19591 -0.04906 230 3PX -0.00939 0.02591 -0.01287 0.07979 -0.01738 231 3PY 0.01369 -0.03392 0.06143 -0.13779 0.03937 232 3PZ -0.00296 0.00711 -0.01273 0.03967 0.02282 233 4XX 0.00068 -0.00214 0.00868 -0.00236 0.00079 234 4YY -0.00505 0.00859 -0.00814 0.00064 -0.00399 235 4ZZ 0.00215 -0.00477 0.00278 -0.00553 0.00492 236 4XY 0.00389 -0.00732 -0.00444 -0.00912 0.00352 237 4XZ -0.00088 0.00170 0.00123 0.00364 0.00499 238 4YZ 0.00208 -0.00385 0.00317 -0.00416 -0.00813 239 29 H 1S 0.00820 -0.01919 -0.00404 -0.03356 0.00892 240 2S 0.01152 -0.02553 -0.02350 -0.06945 0.02244 241 30 H 1S 0.00753 -0.01946 0.02086 -0.02041 0.01270 242 2S 0.01097 -0.02259 0.04411 -0.02629 0.05528 243 31 H 1S 0.00765 -0.01990 0.01950 -0.02471 -0.00349 244 2S 0.01118 -0.02335 0.03672 -0.05208 -0.03906 245 32 H 1S 0.00858 -0.01976 0.00530 0.03220 -0.00922 246 2S 0.01103 -0.02460 0.00313 0.07323 -0.02071 247 33 H 1S 0.00747 -0.01986 0.02560 0.01260 -0.01582 248 2S 0.01083 -0.02297 0.04651 0.01134 -0.06215 249 34 H 1S 0.00739 -0.01965 0.02743 0.01767 0.00308 250 2S 0.01069 -0.02261 0.05588 0.03879 0.04022 21 22 23 24 25 21 3S 0.19617 22 3PX -0.02006 0.03025 23 3PY 0.00509 0.00189 0.01886 24 3PZ -0.00238 0.00692 0.03171 0.13338 25 4XX -0.00142 0.00343 -0.00032 0.00101 0.00103 26 4YY -0.00455 -0.00318 0.00051 -0.00083 -0.00057 27 4ZZ -0.00964 0.00086 -0.00039 -0.00049 0.00016 28 4XY -0.00034 -0.00182 0.00002 0.00263 0.00007 29 4XZ -0.00103 0.00092 0.00243 0.00872 0.00004 30 4YZ -0.00161 0.00147 -0.00077 -0.00195 0.00023 31 3 C 1S -0.00881 -0.01233 0.00281 0.00129 -0.00561 32 2S 0.03659 0.04106 -0.00064 -0.00566 0.01009 33 2PX -0.12781 -0.04702 0.02075 0.01753 -0.00190 34 2PY 0.05188 0.02152 0.04516 0.04418 0.00432 35 2PZ -0.00742 0.01391 0.04029 0.19806 0.00130 36 3S 0.01747 0.03826 0.00023 0.00695 0.00901 37 3PX -0.03150 -0.00989 0.01137 0.01225 0.00034 38 3PY 0.01897 0.00935 0.02544 0.04095 0.00067 39 3PZ -0.00514 0.01027 0.03193 0.14335 0.00154 40 4XX 0.00874 -0.00098 -0.00057 -0.00090 -0.00011 41 4YY -0.00770 -0.00147 -0.00015 0.00042 -0.00017 42 4ZZ -0.00313 -0.00154 0.00027 0.00131 -0.00035 43 4XY -0.00270 -0.00140 -0.00086 -0.00217 0.00013 44 4XZ -0.00039 -0.00040 -0.00231 -0.00938 -0.00013 45 4YZ 0.00185 0.00013 0.00038 0.00093 -0.00006 46 4 C 1S 0.00372 0.00105 -0.00070 -0.00072 -0.00088 47 2S -0.00746 0.00115 -0.00156 0.00098 0.00167 48 2PX 0.05365 0.00173 -0.02675 0.00715 -0.00579 49 2PY -0.02506 0.00525 -0.01461 -0.00860 -0.00169 50 2PZ -0.00012 -0.00433 -0.00279 -0.03267 0.00142 51 3S -0.00630 -0.00293 -0.00379 0.00306 0.00188 52 3PX 0.02531 0.00271 -0.00909 0.01439 -0.00244 53 3PY -0.01138 0.00949 -0.00350 0.00404 0.00037 54 3PZ 0.00122 -0.00306 -0.00171 -0.01580 0.00031 55 4XX 0.00275 0.00143 0.00050 -0.00106 0.00024 56 4YY -0.00418 -0.00079 -0.00047 -0.00121 -0.00001 57 4ZZ 0.00228 -0.00006 -0.00019 0.00250 -0.00021 58 4XY -0.00035 -0.00004 0.00014 -0.00306 0.00030 59 4XZ -0.00072 -0.00078 -0.00236 -0.00831 -0.00015 60 4YZ 0.00272 -0.00040 -0.00089 -0.00222 -0.00018 61 5 C 1S -0.00679 -0.00156 0.00454 0.01049 0.00041 62 2S 0.00990 -0.00019 -0.00804 -0.01901 -0.00071 63 2PX -0.02035 0.00404 0.01734 0.03234 0.00144 64 2PY -0.01873 -0.01148 0.00893 0.01265 0.00018 65 2PZ -0.01097 0.00105 0.01713 0.02636 0.00085 66 3S 0.01132 -0.00259 -0.01926 -0.07378 -0.00110 67 3PX -0.00561 0.00479 0.00767 0.01103 0.00093 68 3PY -0.00887 -0.00713 0.00055 -0.00544 -0.00017 69 3PZ -0.00664 0.00014 0.00945 0.02253 0.00046 70 4XX -0.00140 -0.00014 0.00115 0.00139 0.00016 71 4YY -0.00007 0.00052 0.00029 0.00052 0.00004 72 4ZZ 0.00121 0.00008 -0.00071 0.00020 -0.00012 73 4XY -0.00059 -0.00026 0.00090 0.00160 0.00009 74 4XZ 0.00041 0.00044 -0.00059 -0.00125 0.00002 75 4YZ 0.00101 -0.00043 0.00027 0.00038 -0.00003 76 6 C 1S 0.00023 -0.00034 -0.00400 -0.00262 -0.00024 77 2S -0.00494 -0.00084 0.00515 0.00498 0.00053 78 2PX 0.01889 0.00441 -0.00771 -0.01592 -0.00070 79 2PY 0.01128 0.00384 -0.00714 -0.00878 -0.00051 80 2PZ 0.00781 0.00620 0.00843 0.00478 0.00045 81 3S -0.00760 -0.00164 0.01241 0.03043 0.00071 82 3PX 0.00877 0.00182 -0.00567 -0.01587 -0.00047 83 3PY 0.00608 0.00221 -0.00404 -0.01530 -0.00017 84 3PZ 0.00711 0.00388 0.00491 0.00459 0.00018 85 4XX 0.00034 -0.00019 -0.00033 -0.00080 -0.00004 86 4YY 0.00010 0.00019 -0.00016 -0.00022 0.00001 87 4ZZ -0.00013 -0.00002 0.00008 0.00044 -0.00001 88 4XY -0.00046 0.00003 0.00009 0.00017 -0.00000 89 4XZ 0.00122 0.00043 -0.00066 -0.00117 -0.00004 90 4YZ 0.00005 -0.00018 -0.00027 -0.00032 -0.00003 91 7 C 1S -0.00144 0.00043 0.00042 0.00167 0.00004 92 2S 0.00279 -0.00098 -0.00148 -0.00420 -0.00010 93 2PX -0.00368 0.00142 0.00099 0.00432 0.00012 94 2PY 0.00523 0.00378 -0.00033 -0.00301 -0.00005 95 2PZ 0.01791 0.00723 -0.00126 -0.01098 -0.00014 96 3S 0.00474 -0.00111 -0.00313 -0.00656 -0.00023 97 3PX 0.00191 0.00132 0.00024 0.00348 -0.00009 98 3PY 0.00365 0.00251 -0.00054 -0.00028 -0.00007 99 3PZ 0.01210 0.00524 -0.00187 -0.01122 -0.00008 100 4XX -0.00065 -0.00006 0.00038 0.00041 0.00003 101 4YY 0.00041 -0.00000 -0.00040 -0.00061 -0.00003 102 4ZZ -0.00004 0.00005 0.00009 0.00012 0.00000 103 4XY -0.00045 -0.00001 0.00019 0.00049 0.00002 104 4XZ -0.00024 -0.00026 -0.00034 -0.00016 -0.00002 105 4YZ 0.00043 0.00020 0.00003 -0.00012 -0.00000 106 8 C 1S 0.00089 -0.00025 -0.00072 -0.00091 -0.00004 107 2S -0.00163 0.00049 0.00137 0.00205 0.00008 108 2PX 0.00388 -0.00021 -0.00049 -0.00408 -0.00017 109 2PY 0.00298 0.00016 -0.00230 -0.00223 -0.00004 110 2PZ 0.00050 0.00072 -0.00127 -0.00037 -0.00001 111 3S -0.00602 0.00007 0.00344 0.00265 0.00039 112 3PX 0.00225 0.00021 -0.00067 -0.00181 -0.00010 113 3PY 0.00321 0.00029 -0.00189 -0.00083 -0.00015 114 3PZ 0.00029 0.00023 -0.00095 -0.00071 -0.00001 115 4XX -0.00007 -0.00007 -0.00004 -0.00008 -0.00001 116 4YY -0.00004 -0.00007 -0.00006 0.00005 0.00000 117 4ZZ 0.00037 0.00012 -0.00005 -0.00022 -0.00001 118 4XY -0.00027 -0.00010 0.00001 0.00025 0.00001 119 4XZ -0.00090 -0.00038 0.00007 0.00066 0.00001 120 4YZ -0.00005 -0.00002 0.00003 -0.00001 -0.00000 121 9 C 1S -0.00051 -0.00002 -0.00016 0.00038 0.00002 122 2S 0.00096 0.00010 0.00021 -0.00096 -0.00003 123 2PX -0.00213 -0.00056 -0.00089 0.00279 0.00009 124 2PY -0.00056 -0.00013 0.00080 0.00083 -0.00001 125 2PZ -0.00801 -0.00336 0.00042 0.00671 0.00007 126 3S 0.00256 -0.00011 -0.00135 -0.00130 -0.00016 127 3PX -0.00276 -0.00067 0.00055 0.00188 0.00012 128 3PY -0.00071 -0.00034 0.00037 -0.00000 0.00000 129 3PZ -0.00759 -0.00312 0.00043 0.00672 0.00007 130 4XX -0.00015 0.00001 0.00013 0.00024 0.00000 131 4YY 0.00009 -0.00001 -0.00012 -0.00009 -0.00000 132 4ZZ -0.00002 -0.00000 -0.00001 -0.00001 0.00000 133 4XY -0.00009 0.00001 0.00002 0.00012 0.00000 134 4XZ -0.00006 -0.00005 0.00004 0.00005 0.00000 135 4YZ 0.00006 0.00002 -0.00005 -0.00007 -0.00000 136 10 C 1S -0.00000 0.00013 0.00014 0.00012 0.00001 137 2S 0.00001 -0.00028 -0.00047 -0.00023 -0.00001 138 2PX -0.00059 0.00005 0.00080 0.00063 0.00001 139 2PY -0.00003 0.00010 -0.00027 0.00002 0.00000 140 2PZ -0.00278 -0.00132 0.00146 0.00218 0.00005 141 3S 0.00051 -0.00035 -0.00069 -0.00149 -0.00002 142 3PX 0.00030 -0.00008 -0.00018 0.00063 -0.00002 143 3PY 0.00008 0.00017 0.00019 -0.00013 0.00001 144 3PZ -0.00150 -0.00067 0.00094 0.00122 0.00003 145 4XX -0.00005 0.00009 0.00012 0.00009 0.00000 146 4YY -0.00010 -0.00012 -0.00008 0.00006 0.00000 147 4ZZ 0.00015 0.00007 0.00003 -0.00014 -0.00000 148 4XY -0.00013 -0.00005 -0.00002 0.00015 0.00000 149 4XZ -0.00004 -0.00003 -0.00007 0.00007 -0.00000 150 4YZ -0.00046 -0.00016 -0.00001 0.00045 0.00000 151 11 C 1S 0.00005 -0.00006 -0.00019 -0.00003 0.00000 152 2S 0.00003 0.00020 0.00027 0.00003 -0.00000 153 2PX 0.00043 -0.00025 -0.00077 -0.00042 0.00000 154 2PY 0.00023 0.00005 -0.00008 -0.00023 -0.00001 155 2PZ 0.00094 0.00049 -0.00017 -0.00067 -0.00001 156 3S -0.00047 0.00056 0.00103 0.00006 0.00001 157 3PX 0.00050 -0.00020 -0.00067 -0.00032 -0.00001 158 3PY 0.00002 0.00005 -0.00001 0.00006 0.00000 159 3PZ 0.00069 0.00037 -0.00001 -0.00061 -0.00001 160 4XX 0.00004 0.00001 -0.00002 -0.00005 -0.00000 161 4YY -0.00002 0.00000 -0.00000 0.00003 0.00000 162 4ZZ -0.00003 -0.00002 0.00001 0.00002 0.00000 163 4XY 0.00003 -0.00001 -0.00002 -0.00003 -0.00000 164 4XZ 0.00016 0.00007 -0.00006 -0.00013 -0.00000 165 4YZ -0.00003 -0.00001 -0.00000 0.00003 0.00000 166 12 H 1S -0.00005 0.00008 0.00007 0.00012 0.00000 167 2S -0.00004 -0.00007 -0.00016 0.00018 0.00001 168 13 H 1S -0.00063 -0.00036 0.00015 0.00045 0.00001 169 2S -0.00027 -0.00031 0.00013 0.00009 0.00001 170 14 H 1S 0.00082 0.00027 -0.00040 -0.00068 -0.00001 171 2S 0.00042 0.00002 -0.00053 -0.00033 -0.00001 172 15 O 1S -0.00025 -0.00035 -0.00030 -0.00007 -0.00001 173 2S 0.00008 0.00038 0.00063 0.00020 0.00001 174 2PX 0.00072 -0.00136 -0.00118 -0.00131 -0.00001 175 2PY 0.00005 0.00062 0.00067 -0.00017 0.00000 176 2PZ 0.00371 0.00148 0.00147 -0.00421 -0.00003 177 3S 0.00033 0.00081 0.00086 0.00059 0.00001 178 3PX 0.00081 -0.00073 -0.00084 -0.00089 -0.00002 179 3PY 0.00014 0.00058 0.00053 -0.00003 0.00000 180 3PZ 0.00320 0.00126 0.00082 -0.00364 -0.00003 181 4XX 0.00003 -0.00006 -0.00003 -0.00005 -0.00000 182 4YY 0.00001 0.00003 0.00002 0.00001 -0.00000 183 4ZZ -0.00000 0.00001 -0.00004 0.00006 -0.00000 184 4XY 0.00002 -0.00002 -0.00000 -0.00001 -0.00000 185 4XZ 0.00004 0.00003 0.00008 -0.00006 0.00000 186 4YZ 0.00005 0.00001 0.00007 -0.00008 0.00000 187 16 H 1S -0.00020 0.00022 0.00014 0.00094 0.00004 188 2S -0.00091 0.00023 0.00036 0.00204 0.00006 189 17 H 1S 0.00033 -0.00012 -0.00063 -0.00001 0.00003 190 2S -0.00015 -0.00055 -0.00053 -0.00020 0.00003 191 18 H 1S 0.00067 -0.00148 -0.00158 -0.00222 -0.00010 192 2S 0.00185 0.00010 -0.00188 -0.00139 -0.00015 193 19 C 1S -0.00100 0.00018 0.00015 0.00053 0.00000 194 2S 0.00306 0.00064 -0.00110 -0.00144 0.00002 195 2PX -0.00726 -0.00124 0.00097 0.00027 -0.00012 196 2PY -0.00501 -0.00256 0.00356 0.00230 0.00007 197 2PZ -0.00183 0.00102 0.00136 -0.00313 -0.00005 198 3S 0.00629 0.00130 -0.00188 -0.00121 -0.00005 199 3PX -0.00251 0.00007 0.00067 0.00311 -0.00007 200 3PY -0.00162 -0.00133 0.00302 0.00063 0.00011 201 3PZ -0.00037 0.00130 -0.00068 -0.00286 -0.00005 202 4XX -0.00002 -0.00006 -0.00006 -0.00015 -0.00001 203 4YY -0.00045 -0.00010 0.00009 0.00021 0.00001 204 4ZZ 0.00036 0.00009 0.00005 -0.00002 0.00000 205 4XY -0.00097 -0.00028 0.00029 0.00046 0.00001 206 4XZ 0.00062 0.00017 -0.00017 -0.00006 -0.00000 207 4YZ -0.00038 -0.00017 -0.00025 -0.00024 -0.00001 208 20 H 1S -0.00595 -0.00196 0.00184 0.00202 0.00002 209 2S -0.00873 -0.00268 0.00227 0.00287 0.00008 210 21 H 1S 0.00596 0.00090 -0.00133 0.00049 0.00004 211 2S 0.00560 0.00244 -0.00209 0.00141 0.00001 212 22 H 1S 0.00031 0.00007 0.00042 -0.00181 -0.00001 213 2S -0.00234 -0.00126 0.00030 -0.00043 -0.00008 214 23 H 1S 0.00246 -0.00416 0.00133 0.00003 -0.00049 215 2S 0.00401 -0.00132 0.00691 0.02363 -0.00031 216 24 H 1S 0.00530 0.00779 -0.00263 -0.00527 0.00003 217 2S -0.00236 0.00600 -0.00160 0.00170 0.00001 218 25 H 1S 0.02612 0.00429 0.00010 0.03720 -0.00140 219 2S 0.02573 0.00633 0.00607 0.04943 -0.00121 220 26 H 1S -0.03444 0.00153 -0.00352 0.00239 0.00018 221 2S -0.03221 -0.00363 -0.00414 -0.00063 -0.00123 222 27 H 1S -0.04404 -0.00284 -0.01358 0.00312 0.00050 223 2S -0.04460 -0.01062 -0.00699 0.00332 -0.00279 224 28 C 1S -0.00103 0.00515 -0.00101 -0.00008 0.00133 225 2S 0.01219 -0.01212 0.01682 -0.00374 -0.00347 226 2PX 0.05405 -0.02704 0.01453 -0.00135 -0.00971 227 2PY -0.11339 0.02789 -0.03143 0.00792 0.00418 228 2PZ 0.02824 -0.00273 0.00968 0.00403 -0.00116 229 3S -0.00475 -0.01016 0.02161 -0.00532 -0.00541 230 3PX 0.02271 -0.01071 0.00841 0.00013 -0.00502 231 3PY -0.03222 0.01081 -0.01525 0.00588 0.00200 232 3PZ 0.00780 -0.00021 0.00709 0.01133 -0.00040 233 4XX -0.00202 0.00221 -0.00019 0.00058 0.00025 234 4YY 0.00704 -0.00316 -0.00053 -0.00259 -0.00042 235 4ZZ -0.00410 0.00150 -0.00032 0.00227 0.00040 236 4XY -0.00650 -0.00105 -0.00116 0.00112 -0.00011 237 4XZ 0.00129 0.00046 0.00149 0.00467 0.00014 238 4YZ -0.00298 0.00116 -0.00169 -0.00568 0.00022 239 29 H 1S -0.02849 -0.00847 -0.00495 0.00159 -0.00364 240 2S -0.02884 -0.01067 -0.00890 0.00416 -0.00203 241 30 H 1S -0.02610 0.01118 0.00182 0.01483 0.00357 242 2S -0.02312 0.01712 0.00585 0.04082 0.00437 243 31 H 1S -0.02334 0.01141 -0.00518 -0.01555 0.00244 244 2S -0.01987 0.01375 -0.01424 -0.03998 0.00286 245 32 H 1S -0.03870 -0.00901 0.01281 -0.00260 -0.00521 246 2S -0.03312 -0.00557 0.01489 -0.00393 -0.00503 247 33 H 1S -0.01578 0.01651 -0.00766 -0.01743 0.00375 248 2S -0.01229 0.01912 -0.01394 -0.04488 0.00287 249 34 H 1S -0.01667 0.01937 0.00056 0.01615 0.00549 250 2S -0.01447 0.02575 0.00825 0.04262 0.00500 26 27 28 29 30 26 4YY 0.00135 27 4ZZ 0.00032 0.00085 28 4XY -0.00006 0.00005 0.00143 29 4XZ 0.00004 -0.00003 -0.00012 0.00106 30 4YZ -0.00015 0.00000 -0.00010 -0.00014 0.00044 31 3 C 1S 0.00331 0.00227 0.00236 0.00023 -0.00059 32 2S -0.00791 -0.00491 -0.00419 -0.00052 0.00145 33 2PX 0.01060 0.00686 0.00522 0.00105 -0.00207 34 2PY -0.00707 -0.00176 0.01222 0.00061 -0.00026 35 2PZ -0.00061 -0.00108 0.00049 0.01645 -0.00323 36 3S -0.00741 -0.00368 -0.00413 0.00061 0.00145 37 3PX 0.00252 0.00173 0.00002 0.00134 -0.00046 38 3PY -0.00181 -0.00061 0.00319 0.00290 -0.00072 39 3PZ -0.00108 -0.00069 0.00226 0.01164 -0.00246 40 4XX -0.00026 -0.00035 0.00043 -0.00021 -0.00006 41 4YY 0.00065 0.00027 -0.00053 0.00024 -0.00006 42 4ZZ 0.00031 0.00031 0.00021 0.00006 -0.00005 43 4XY -0.00006 0.00020 0.00089 -0.00038 0.00004 44 4XZ 0.00015 0.00004 -0.00041 -0.00046 0.00013 45 4YZ -0.00010 -0.00003 0.00021 0.00005 0.00002 46 4 C 1S 0.00026 -0.00038 -0.00190 0.00047 -0.00002 47 2S -0.00037 0.00067 0.00352 -0.00089 -0.00004 48 2PX 0.00142 -0.00049 -0.00663 0.00258 0.00006 49 2PY 0.00040 -0.00042 -0.00514 0.00168 0.00032 50 2PZ 0.00010 -0.00003 0.00230 0.00018 0.00005 51 3S -0.00084 0.00066 0.00658 -0.00162 0.00001 52 3PX 0.00063 -0.00042 -0.00418 0.00243 -0.00010 53 3PY -0.00086 -0.00034 -0.00343 0.00165 0.00057 54 3PZ 0.00047 -0.00018 0.00130 -0.00011 0.00012 55 4XX -0.00034 -0.00015 0.00011 -0.00014 0.00006 56 4YY 0.00022 0.00008 -0.00027 -0.00006 -0.00000 57 4ZZ 0.00002 -0.00001 -0.00012 0.00023 -0.00003 58 4XY -0.00011 -0.00003 0.00009 -0.00024 0.00006 59 4XZ 0.00013 0.00004 -0.00020 -0.00048 0.00011 60 4YZ -0.00001 0.00000 -0.00003 -0.00024 0.00005 61 5 C 1S 0.00006 0.00010 0.00029 0.00053 -0.00018 62 2S -0.00001 -0.00011 -0.00061 -0.00084 0.00035 63 2PX -0.00040 -0.00003 0.00121 0.00059 -0.00050 64 2PY 0.00026 0.00026 0.00009 0.00027 -0.00007 65 2PZ -0.00036 0.00008 0.00075 0.00026 -0.00028 66 3S -0.00021 0.00026 -0.00126 -0.00518 0.00103 67 3PX -0.00061 -0.00021 0.00049 -0.00015 0.00000 68 3PY 0.00045 0.00020 -0.00029 -0.00070 0.00005 69 3PZ -0.00011 0.00005 0.00059 0.00087 -0.00029 70 4XX -0.00002 0.00002 0.00021 0.00009 -0.00003 71 4YY -0.00001 -0.00001 -0.00001 0.00000 -0.00001 72 4ZZ -0.00000 -0.00001 -0.00016 0.00002 0.00002 73 4XY 0.00001 0.00002 0.00018 0.00009 -0.00004 74 4XZ 0.00002 0.00001 0.00005 -0.00000 -0.00000 75 4YZ 0.00001 0.00002 0.00008 0.00000 -0.00000 76 6 C 1S 0.00003 0.00003 -0.00031 -0.00007 0.00008 77 2S -0.00005 0.00005 0.00067 0.00003 -0.00012 78 2PX 0.00016 -0.00009 -0.00103 -0.00019 0.00023 79 2PY -0.00000 -0.00012 -0.00066 -0.00008 0.00012 80 2PZ 0.00010 -0.00005 0.00022 0.00056 -0.00020 81 3S 0.00016 0.00004 0.00174 0.00198 -0.00065 82 3PX 0.00008 -0.00003 -0.00068 -0.00078 0.00025 83 3PY -0.00014 -0.00005 -0.00070 -0.00107 0.00027 84 3PZ 0.00016 -0.00000 0.00020 0.00067 -0.00019 85 4XX 0.00002 0.00000 -0.00006 -0.00001 0.00002 86 4YY -0.00001 -0.00000 0.00002 -0.00001 -0.00000 87 4ZZ -0.00001 0.00000 -0.00001 0.00001 -0.00000 88 4XY -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 89 4XZ 0.00001 -0.00001 -0.00009 0.00000 0.00001 90 4YZ 0.00000 -0.00000 -0.00003 -0.00000 0.00001 91 7 C 1S -0.00004 -0.00002 0.00005 0.00004 -0.00002 92 2S 0.00010 0.00004 -0.00010 -0.00013 0.00005 93 2PX -0.00010 -0.00003 0.00005 0.00008 -0.00006 94 2PY -0.00001 -0.00007 -0.00029 -0.00008 0.00003 95 2PZ 0.00018 -0.00013 -0.00073 0.00009 0.00007 96 3S 0.00005 0.00001 -0.00068 -0.00022 0.00016 97 3PX 0.00006 -0.00007 -0.00004 0.00043 -0.00007 98 3PY -0.00003 -0.00007 -0.00031 0.00014 0.00003 99 3PZ 0.00012 -0.00010 -0.00061 -0.00018 0.00010 100 4XX -0.00001 0.00000 0.00004 -0.00001 -0.00001 101 4YY 0.00001 -0.00000 -0.00003 -0.00002 0.00001 102 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 103 4XY -0.00001 0.00000 0.00002 0.00001 -0.00001 104 4XZ -0.00000 0.00000 -0.00001 -0.00002 0.00001 105 4YZ 0.00000 -0.00000 -0.00001 0.00001 -0.00000 106 8 C 1S 0.00003 0.00001 -0.00005 -0.00002 0.00001 107 2S -0.00005 -0.00001 0.00009 0.00005 -0.00003 108 2PX 0.00006 -0.00002 -0.00016 -0.00002 0.00005 109 2PY 0.00002 0.00000 -0.00008 -0.00007 0.00003 110 2PZ -0.00005 -0.00001 -0.00007 -0.00012 0.00003 111 3S -0.00014 0.00005 0.00047 -0.00025 -0.00006 112 3PX -0.00003 -0.00003 -0.00024 -0.00003 0.00006 113 3PY 0.00006 -0.00003 -0.00018 0.00013 0.00002 114 3PZ -0.00003 0.00000 -0.00003 -0.00012 0.00003 115 4XX -0.00000 0.00000 -0.00000 -0.00001 0.00000 116 4YY -0.00000 0.00000 0.00001 0.00000 -0.00000 117 4ZZ 0.00000 -0.00000 -0.00002 0.00000 0.00000 118 4XY -0.00000 0.00000 0.00002 0.00000 -0.00000 119 4XZ -0.00001 0.00001 0.00004 0.00000 -0.00000 120 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 121 9 C 1S -0.00001 0.00000 0.00001 0.00000 -0.00000 122 2S 0.00001 -0.00000 -0.00003 -0.00002 0.00001 123 2PX -0.00004 0.00003 0.00014 -0.00002 -0.00003 124 2PY -0.00002 -0.00000 0.00004 -0.00001 -0.00000 125 2PZ -0.00011 0.00006 0.00041 -0.00000 -0.00004 126 3S 0.00010 -0.00001 -0.00015 0.00012 0.00001 127 3PX -0.00007 0.00003 0.00016 -0.00009 -0.00001 128 3PY -0.00000 0.00001 0.00011 -0.00006 -0.00000 129 3PZ -0.00010 0.00006 0.00040 0.00004 -0.00005 130 4XX -0.00000 -0.00000 0.00001 0.00001 -0.00000 131 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 132 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 133 4XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 134 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 135 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 136 10 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 137 2S 0.00001 0.00001 -0.00001 -0.00001 0.00000 138 2PX -0.00001 -0.00001 0.00003 0.00002 -0.00001 139 2PY -0.00001 -0.00001 0.00001 0.00001 -0.00000 140 2PZ -0.00002 0.00002 0.00015 0.00004 -0.00003 141 3S 0.00001 0.00002 0.00002 -0.00008 0.00002 142 3PX 0.00002 -0.00000 -0.00001 0.00007 -0.00001 143 3PY -0.00001 -0.00000 0.00004 -0.00002 -0.00000 144 3PZ -0.00001 0.00001 0.00008 0.00003 -0.00002 145 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 146 4YY 0.00000 0.00000 0.00001 -0.00000 -0.00000 147 4ZZ 0.00000 -0.00000 -0.00001 0.00000 0.00000 148 4XY -0.00000 0.00000 0.00001 -0.00000 -0.00000 149 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 150 4YZ -0.00001 0.00000 0.00002 0.00000 -0.00000 151 11 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 152 2S -0.00001 -0.00001 -0.00001 0.00000 -0.00000 153 2PX 0.00001 0.00001 -0.00001 -0.00001 0.00000 154 2PY 0.00000 -0.00000 -0.00001 -0.00000 0.00000 155 2PZ 0.00001 -0.00001 -0.00005 -0.00000 0.00001 156 3S -0.00003 -0.00002 -0.00001 -0.00002 0.00000 157 3PX 0.00002 0.00001 -0.00002 0.00000 0.00000 158 3PY 0.00000 -0.00000 -0.00000 0.00001 -0.00000 159 3PZ 0.00001 -0.00001 -0.00004 -0.00000 0.00000 160 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 161 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 162 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 163 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 164 4XZ 0.00000 -0.00000 -0.00001 -0.00000 0.00000 165 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 166 12 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 167 2S 0.00000 0.00000 0.00001 0.00001 -0.00000 168 13 H 1S -0.00000 0.00001 0.00003 0.00000 -0.00000 169 2S 0.00000 0.00001 0.00002 0.00000 -0.00000 170 14 H 1S 0.00001 -0.00000 -0.00004 -0.00001 0.00001 171 2S 0.00001 0.00000 -0.00001 -0.00001 0.00001 172 15 O 1S 0.00001 0.00001 -0.00000 -0.00001 0.00000 173 2S -0.00001 -0.00001 0.00001 0.00001 -0.00000 174 2PX 0.00007 0.00005 -0.00001 -0.00003 0.00001 175 2PY -0.00001 -0.00002 -0.00004 -0.00000 -0.00000 176 2PZ 0.00006 -0.00004 -0.00022 -0.00002 0.00002 177 3S -0.00001 -0.00003 0.00001 0.00005 -0.00001 178 3PX 0.00004 0.00003 -0.00001 -0.00001 0.00001 179 3PY -0.00001 -0.00002 -0.00003 0.00001 -0.00000 180 3PZ 0.00005 -0.00003 -0.00019 -0.00003 0.00003 181 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 182 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 183 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 184 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 185 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 186 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 187 16 H 1S -0.00001 0.00000 0.00003 0.00000 -0.00001 188 2S -0.00001 0.00000 0.00006 0.00006 -0.00003 189 17 H 1S -0.00000 0.00001 0.00003 0.00000 -0.00000 190 2S 0.00000 0.00002 0.00007 -0.00003 -0.00000 191 18 H 1S 0.00005 0.00002 -0.00008 -0.00004 0.00004 192 2S -0.00002 -0.00003 -0.00015 0.00002 0.00004 193 19 C 1S 0.00002 0.00001 -0.00005 0.00001 0.00001 194 2S -0.00006 -0.00003 0.00009 -0.00008 0.00000 195 2PX 0.00008 0.00003 -0.00022 0.00001 0.00004 196 2PY 0.00009 0.00008 0.00003 0.00001 -0.00001 197 2PZ 0.00006 -0.00000 -0.00026 0.00003 0.00002 198 3S -0.00009 -0.00007 0.00029 0.00013 -0.00003 199 3PX 0.00001 -0.00001 -0.00014 0.00027 -0.00003 200 3PY 0.00002 0.00003 0.00018 -0.00011 -0.00003 201 3PZ 0.00002 -0.00004 -0.00031 0.00003 0.00005 202 4XX 0.00001 0.00000 -0.00002 -0.00001 0.00000 203 4YY -0.00000 0.00000 0.00002 -0.00000 -0.00000 204 4ZZ -0.00000 -0.00000 0.00001 -0.00000 -0.00000 205 4XY 0.00001 0.00001 0.00001 0.00000 -0.00000 206 4XZ -0.00000 -0.00000 -0.00000 0.00001 -0.00000 207 4YZ -0.00000 0.00000 -0.00002 -0.00002 0.00001 208 20 H 1S 0.00006 0.00005 0.00002 0.00001 -0.00001 209 2S 0.00011 0.00008 0.00003 0.00001 -0.00001 210 21 H 1S -0.00002 -0.00003 0.00008 0.00003 -0.00003 211 2S -0.00002 -0.00005 -0.00026 0.00026 0.00001 212 22 H 1S -0.00001 -0.00000 -0.00006 -0.00005 0.00002 213 2S 0.00003 0.00005 -0.00008 -0.00008 0.00002 214 23 H 1S -0.00003 0.00005 -0.00044 -0.00030 0.00015 215 2S -0.00025 -0.00016 -0.00018 0.00118 -0.00007 216 24 H 1S -0.00023 -0.00018 -0.00032 -0.00041 0.00007 217 2S 0.00018 -0.00010 -0.00085 0.00029 -0.00009 218 25 H 1S -0.00029 -0.00005 -0.00041 0.00129 -0.00028 219 2S -0.00063 -0.00042 -0.00067 0.00260 -0.00035 220 26 H 1S 0.00065 0.00030 -0.00087 0.00030 -0.00010 221 2S 0.00222 0.00028 -0.00212 0.00058 -0.00057 222 27 H 1S 0.00376 0.00030 -0.00911 0.00249 -0.00027 223 2S 0.00610 0.00107 -0.00883 0.00290 -0.00087 224 28 C 1S -0.00515 0.00116 0.00420 -0.00114 0.00173 225 2S 0.00872 -0.00256 -0.00762 0.00212 -0.00308 226 2PX 0.00829 -0.00230 0.00437 -0.00104 -0.00309 227 2PY 0.00027 0.00416 0.00965 -0.00433 0.00332 228 2PZ 0.00371 -0.00451 -0.00396 -0.00553 0.00836 229 3S 0.01101 -0.00150 -0.01178 0.00360 -0.00311 230 3PX 0.00431 -0.00095 0.00110 -0.00006 -0.00146 231 3PY -0.00067 0.00094 0.00588 -0.00230 0.00136 232 3PZ 0.00195 -0.00202 -0.00187 -0.00145 0.00394 233 4XX -0.00022 0.00009 0.00004 0.00008 0.00001 234 4YY 0.00024 -0.00032 0.00031 -0.00030 -0.00011 235 4ZZ -0.00025 0.00017 -0.00013 0.00013 0.00013 236 4XY 0.00036 0.00036 0.00067 0.00002 -0.00022 237 4XZ -0.00039 0.00009 -0.00004 0.00077 -0.00052 238 4YZ -0.00008 0.00010 -0.00033 -0.00037 0.00033 239 29 H 1S 0.00667 0.00066 0.00485 -0.00100 -0.00242 240 2S 0.00384 0.00113 0.00691 -0.00154 -0.00151 241 30 H 1S -0.00272 0.00199 -0.00300 0.00558 -0.00433 242 2S -0.00479 0.00191 -0.00046 0.00657 -0.00331 243 31 H 1S 0.00201 -0.00149 -0.00479 -0.00394 0.00541 244 2S -0.00045 -0.00070 -0.00318 -0.00608 0.00578 245 32 H 1S 0.00827 0.00062 0.00014 0.00049 -0.00259 246 2S 0.00698 0.00090 -0.00347 0.00148 -0.00170 247 33 H 1S -0.00355 0.00272 -0.00018 -0.00680 -0.00221 248 2S -0.00389 0.00272 -0.00332 -0.00743 -0.00058 249 34 H 1S -0.00058 -0.00210 0.00365 0.00501 0.00344 250 2S -0.00191 -0.00158 0.00117 0.00739 0.00310 31 32 33 34 35 31 3 C 1S 2.05345 32 2S -0.06330 0.32526 33 2PX 0.00498 -0.00359 0.41430 34 2PY 0.00194 0.00217 -0.00869 0.39862 35 2PZ -0.00073 -0.00172 -0.00216 -0.01367 0.34932 36 3S -0.16592 0.25958 -0.01897 -0.00811 0.01894 37 3PX -0.00708 0.01942 0.13664 -0.00921 0.01428 38 3PY 0.00408 -0.01760 -0.00393 0.13417 0.04068 39 3PZ -0.00107 0.00168 0.00899 0.03179 0.23805 40 4XX -0.01702 -0.00248 -0.00778 0.00892 -0.00331 41 4YY -0.01881 -0.00038 0.01253 -0.01612 0.00447 42 4ZZ -0.01157 -0.01500 0.00155 0.00042 0.00068 43 4XY 0.00125 -0.00231 0.00775 0.01140 -0.00691 44 4XZ 0.00014 -0.00038 -0.00185 -0.00740 -0.01081 45 4YZ 0.00233 -0.00469 -0.00405 0.00560 0.00136 46 4 C 1S 0.01296 -0.02516 -0.04620 -0.04394 0.01400 47 2S -0.02298 0.04223 0.09519 0.08877 -0.02885 48 2PX 0.05484 -0.11492 -0.16934 -0.15904 0.06215 49 2PY 0.04307 -0.08962 -0.14207 -0.11168 0.05357 50 2PZ -0.01821 0.04007 0.06245 0.05596 0.02031 51 3S -0.00745 0.02686 0.08432 0.12042 -0.03281 52 3PX 0.01524 -0.04443 -0.07152 -0.08686 0.05052 53 3PY 0.00996 -0.02358 -0.06823 -0.04699 0.03782 54 3PZ -0.00758 0.01545 0.02529 0.02404 0.00753 55 4XX -0.00298 0.00542 -0.00407 0.00783 -0.00313 56 4YY -0.00114 0.00120 0.00418 -0.00905 -0.00082 57 4ZZ 0.00230 -0.00538 -0.00556 -0.00375 0.00477 58 4XY -0.00536 0.01012 0.00724 0.00369 -0.00505 59 4XZ 0.00172 -0.00321 -0.00302 -0.00514 -0.00838 60 4YZ 0.00161 -0.00283 -0.00394 -0.00053 -0.00537 61 5 C 1S -0.00338 0.00634 0.00995 0.00446 0.00767 62 2S 0.00591 -0.01320 -0.02286 -0.01077 -0.01036 63 2PX -0.00903 0.02279 0.02756 0.02302 0.00368 64 2PY -0.00675 0.01407 0.01937 -0.00619 -0.00329 65 2PZ -0.00308 0.00630 0.01657 0.01020 -0.00493 66 3S 0.00943 -0.01888 -0.04107 -0.01579 -0.09979 67 3PX -0.01118 0.01631 0.00232 0.01889 -0.00766 68 3PY -0.00585 0.00631 0.01204 -0.01540 -0.01651 69 3PZ -0.00114 0.00140 0.01383 0.00518 0.01238 70 4XX -0.00172 0.00315 0.00549 0.00469 0.00151 71 4YY -0.00036 0.00044 0.00039 -0.00012 0.00010 72 4ZZ 0.00080 -0.00204 -0.00400 -0.00297 0.00023 73 4XY -0.00153 0.00317 0.00551 0.00361 0.00120 74 4XZ 0.00013 0.00005 0.00139 0.00151 0.00043 75 4YZ -0.00020 0.00057 0.00187 0.00136 -0.00052 76 6 C 1S 0.00218 -0.00614 -0.00801 -0.00579 -0.00058 77 2S -0.00605 0.01301 0.01906 0.01316 -0.00157 78 2PX 0.00902 -0.01988 -0.02822 -0.01966 0.00179 79 2PY 0.00603 -0.01320 -0.01808 -0.00954 0.00147 80 2PZ -0.00079 0.00366 0.00591 0.00434 0.01027 81 3S -0.00350 0.01747 0.04071 0.02765 0.03722 82 3PX 0.00340 -0.01254 -0.01838 -0.01268 -0.01239 83 3PY -0.00226 -0.00149 -0.01419 -0.00631 -0.02258 84 3PZ 0.00136 -0.00001 0.00702 0.00406 0.01328 85 4XX 0.00032 -0.00069 -0.00094 -0.00141 -0.00003 86 4YY -0.00002 -0.00019 0.00009 0.00061 -0.00006 87 4ZZ -0.00006 -0.00035 -0.00016 -0.00017 0.00012 88 4XY 0.00016 0.00002 -0.00029 -0.00019 -0.00004 89 4XZ 0.00042 -0.00097 -0.00216 -0.00154 0.00047 90 4YZ 0.00011 -0.00036 -0.00074 -0.00060 0.00001 91 7 C 1S -0.00037 0.00094 0.00111 0.00164 0.00020 92 2S 0.00077 -0.00207 -0.00194 -0.00303 -0.00141 93 2PX -0.00087 0.00209 0.00144 0.00310 0.00071 94 2PY 0.00138 -0.00250 -0.00573 -0.00432 -0.00035 95 2PZ 0.00360 -0.00639 -0.01552 -0.01157 0.00531 96 3S -0.00069 -0.00111 -0.00934 -0.01131 -0.00516 97 3PX 0.00141 -0.00129 -0.00158 -0.00136 0.00988 98 3PY 0.00201 -0.00193 -0.00659 -0.00465 0.00356 99 3PZ 0.00226 -0.00416 -0.01295 -0.00932 -0.00074 100 4XX -0.00043 0.00091 0.00105 0.00079 -0.00044 101 4YY 0.00029 -0.00058 -0.00086 -0.00059 -0.00016 102 4ZZ -0.00002 0.00005 0.00005 0.00015 0.00002 103 4XY -0.00024 0.00041 0.00051 0.00048 0.00003 104 4XZ 0.00005 -0.00020 -0.00023 -0.00019 -0.00042 105 4YZ 0.00008 -0.00014 -0.00038 -0.00023 0.00024 106 8 C 1S 0.00035 -0.00093 -0.00123 -0.00117 -0.00004 107 2S -0.00080 0.00197 0.00238 0.00230 0.00036 108 2PX 0.00162 -0.00296 -0.00463 -0.00409 0.00027 109 2PY 0.00043 -0.00146 -0.00207 -0.00144 -0.00073 110 2PZ -0.00018 0.00009 -0.00137 -0.00074 -0.00210 111 3S -0.00374 0.00652 0.01034 0.01019 -0.00719 112 3PX -0.00031 -0.00054 -0.00447 -0.00352 -0.00113 113 3PY 0.00143 -0.00267 -0.00415 -0.00412 0.00379 114 3PZ -0.00006 -0.00009 -0.00065 -0.00029 -0.00213 115 4XX 0.00003 -0.00012 -0.00007 -0.00010 -0.00026 116 4YY -0.00005 0.00007 0.00017 0.00017 0.00004 117 4ZZ 0.00005 -0.00014 -0.00036 -0.00028 0.00014 118 4XY -0.00004 0.00013 0.00037 0.00030 0.00001 119 4XZ -0.00021 0.00036 0.00089 0.00066 -0.00018 120 4YZ 0.00000 0.00000 -0.00002 -0.00003 -0.00002 121 9 C 1S -0.00019 0.00026 0.00054 0.00048 -0.00003 122 2S 0.00033 -0.00058 -0.00110 -0.00091 -0.00028 123 2PX -0.00102 0.00149 0.00318 0.00267 -0.00074 124 2PY -0.00002 0.00033 0.00055 0.00026 -0.00042 125 2PZ -0.00173 0.00275 0.00808 0.00609 -0.00176 126 3S 0.00218 -0.00337 -0.00379 -0.00440 0.00399 127 3PX -0.00176 0.00252 0.00373 0.00348 -0.00298 128 3PY 0.00048 -0.00037 0.00139 0.00124 -0.00107 129 3PZ -0.00158 0.00263 0.00787 0.00579 -0.00079 130 4XX -0.00002 0.00012 0.00022 0.00017 0.00017 131 4YY 0.00001 -0.00006 -0.00009 -0.00007 -0.00005 132 4ZZ -0.00002 0.00001 0.00001 0.00002 -0.00006 133 4XY -0.00006 0.00008 0.00010 0.00009 -0.00003 134 4XZ -0.00001 0.00000 0.00009 0.00006 0.00007 135 4YZ 0.00001 -0.00002 -0.00008 -0.00006 -0.00006 136 10 C 1S -0.00003 0.00011 0.00011 0.00008 0.00002 137 2S 0.00001 -0.00027 -0.00026 -0.00023 -0.00002 138 2PX -0.00008 0.00054 0.00071 0.00048 0.00007 139 2PY -0.00004 0.00004 0.00034 0.00029 0.00004 140 2PZ -0.00052 0.00104 0.00291 0.00222 0.00026 141 3S 0.00031 -0.00090 -0.00032 0.00012 -0.00136 142 3PX 0.00029 -0.00050 -0.00045 -0.00035 0.00169 143 3PY 0.00032 -0.00020 0.00043 0.00077 -0.00026 144 3PZ -0.00036 0.00066 0.00161 0.00116 0.00020 145 4XX -0.00001 0.00007 0.00007 0.00005 0.00002 146 4YY -0.00006 0.00002 0.00014 0.00009 -0.00008 147 4ZZ 0.00003 -0.00004 -0.00017 -0.00013 0.00003 148 4XY -0.00006 0.00008 0.00017 0.00012 -0.00003 149 4XZ -0.00001 -0.00000 0.00006 0.00005 0.00001 150 4YZ -0.00010 0.00016 0.00049 0.00037 -0.00005 151 11 C 1S -0.00002 -0.00007 -0.00001 0.00002 -0.00001 152 2S 0.00002 0.00007 -0.00004 -0.00005 0.00004 153 2PX 0.00003 -0.00041 -0.00036 -0.00020 -0.00003 154 2PY 0.00006 -0.00013 -0.00027 -0.00022 0.00001 155 2PZ 0.00019 -0.00027 -0.00089 -0.00069 0.00013 156 3S -0.00006 0.00070 0.00052 0.00019 -0.00071 157 3PX 0.00008 -0.00050 -0.00059 -0.00036 0.00028 158 3PY 0.00002 0.00004 0.00004 -0.00011 0.00025 159 3PZ 0.00015 -0.00018 -0.00068 -0.00049 0.00005 160 4XX 0.00001 -0.00002 -0.00006 -0.00005 -0.00002 161 4YY -0.00002 0.00002 0.00004 0.00004 0.00000 162 4ZZ -0.00001 0.00000 0.00002 0.00002 0.00000 163 4XY 0.00001 -0.00003 -0.00004 -0.00002 0.00000 164 4XZ 0.00003 -0.00006 -0.00017 -0.00013 -0.00001 165 4YZ -0.00001 0.00001 0.00004 0.00003 -0.00000 166 12 H 1S -0.00004 0.00011 0.00014 0.00012 0.00003 167 2S -0.00004 0.00005 0.00026 0.00022 0.00020 168 13 H 1S -0.00012 0.00015 0.00060 0.00047 -0.00002 169 2S -0.00004 -0.00000 0.00024 0.00025 0.00007 170 14 H 1S 0.00015 -0.00037 -0.00084 -0.00063 -0.00000 171 2S 0.00006 -0.00028 -0.00041 -0.00028 -0.00012 172 15 O 1S 0.00001 -0.00021 -0.00014 -0.00010 -0.00003 173 2S -0.00003 0.00037 0.00026 0.00025 0.00003 174 2PX 0.00016 -0.00112 -0.00135 -0.00092 0.00000 175 2PY 0.00004 0.00015 -0.00027 -0.00022 0.00001 176 2PZ 0.00094 -0.00106 -0.00422 -0.00321 0.00049 177 3S 0.00007 0.00054 0.00059 0.00030 0.00085 178 3PX 0.00041 -0.00100 -0.00126 -0.00056 0.00031 179 3PY 0.00002 0.00020 -0.00018 -0.00026 0.00023 180 3PZ 0.00074 -0.00096 -0.00366 -0.00283 0.00015 181 4XX 0.00004 -0.00007 -0.00010 -0.00001 -0.00001 182 4YY 0.00003 -0.00002 -0.00005 0.00001 0.00003 183 4ZZ 0.00002 -0.00002 -0.00001 0.00004 0.00001 184 4XY 0.00003 -0.00003 -0.00004 -0.00001 0.00004 185 4XZ 0.00001 0.00001 -0.00003 -0.00003 0.00002 186 4YZ 0.00001 -0.00001 -0.00006 -0.00005 0.00001 187 16 H 1S -0.00027 0.00059 0.00073 0.00062 -0.00006 188 2S -0.00050 0.00113 0.00156 0.00126 0.00096 189 17 H 1S -0.00027 0.00028 0.00069 0.00064 0.00003 190 2S -0.00045 0.00059 0.00149 0.00152 -0.00088 191 18 H 1S 0.00064 -0.00178 -0.00208 -0.00199 -0.00025 192 2S 0.00251 -0.00382 -0.00620 -0.00248 0.00109 193 19 C 1S -0.00005 -0.00002 -0.00003 -0.00178 0.00031 194 2S -0.00017 0.00012 -0.00013 0.00360 -0.00149 195 2PX 0.00145 -0.00277 -0.00406 -0.00628 0.00131 196 2PY -0.00113 0.00257 0.00234 -0.00240 -0.00062 197 2PZ 0.00199 -0.00336 -0.00591 -0.00583 0.00249 198 3S 0.00307 -0.00469 -0.00005 0.00971 0.00443 199 3PX 0.00178 -0.00254 -0.00399 -0.00401 0.00595 200 3PY -0.00299 0.00567 0.00522 0.00440 -0.00423 201 3PZ 0.00178 -0.00325 -0.00865 -0.00781 0.00311 202 4XX 0.00011 -0.00019 -0.00037 -0.00059 -0.00006 203 4YY -0.00013 0.00031 0.00052 0.00030 -0.00005 204 4ZZ -0.00007 0.00004 -0.00006 0.00019 -0.00007 205 4XY -0.00029 0.00047 0.00072 0.00004 -0.00008 206 4XZ 0.00002 -0.00006 -0.00007 0.00009 0.00012 207 4YZ 0.00009 -0.00024 -0.00041 -0.00046 -0.00026 208 20 H 1S -0.00059 0.00129 0.00180 -0.00143 -0.00013 209 2S -0.00157 0.00307 0.00485 -0.00303 -0.00021 210 21 H 1S -0.00076 0.00100 0.00178 0.00305 -0.00029 211 2S 0.00145 -0.00257 -0.00701 -0.00772 0.00664 212 22 H 1S 0.00058 -0.00100 -0.00251 -0.00121 -0.00036 213 2S 0.00073 -0.00150 -0.00125 -0.00323 -0.00190 214 23 H 1S 0.00277 -0.00815 -0.01119 -0.01232 -0.00941 215 2S 0.00175 -0.00537 -0.01405 -0.00301 0.01885 216 24 H 1S 0.00500 -0.01009 -0.01649 -0.00304 -0.00368 217 2S 0.00348 -0.00866 -0.00914 -0.01972 0.01027 218 25 H 1S 0.00849 -0.02185 -0.02759 -0.00748 0.01203 219 2S 0.01145 -0.02478 -0.04960 -0.00771 0.04050 220 26 H 1S 0.00856 -0.02072 -0.01065 -0.02976 0.01044 221 2S 0.01182 -0.02902 -0.00999 -0.07560 0.01889 222 27 H 1S -0.05841 0.11128 0.07714 -0.24613 0.06107 223 2S -0.01029 0.02310 0.06579 -0.22841 0.05863 224 28 C 1S -0.00407 0.00845 -0.01079 0.00875 -0.00133 225 2S 0.00896 -0.01901 0.02537 -0.01855 0.00252 226 2PX 0.01240 -0.03119 0.02965 -0.02203 -0.00006 227 2PY -0.01113 0.02666 -0.03894 0.01850 -0.01091 228 2PZ 0.00193 -0.00406 0.00497 -0.01234 -0.03108 229 3S 0.01168 -0.02916 0.04497 -0.06946 0.01511 230 3PX 0.00612 -0.01789 0.00925 -0.01916 0.00472 231 3PY -0.00680 0.01522 -0.03738 0.03177 -0.00679 232 3PZ 0.00132 -0.00278 0.00925 -0.00699 0.00367 233 4XX -0.00135 0.00270 -0.00504 0.00315 0.00103 234 4YY 0.00081 -0.00164 0.00156 -0.00207 -0.00426 235 4ZZ -0.00042 0.00095 -0.00057 0.00094 0.00306 236 4XY 0.00142 -0.00258 0.00657 -0.00237 0.00183 237 4XZ -0.00029 0.00045 -0.00048 0.00316 0.00956 238 4YZ -0.00054 0.00120 -0.00231 -0.00178 -0.00870 239 29 H 1S 0.00620 -0.01348 0.01708 -0.01389 0.00125 240 2S 0.00599 -0.01064 0.03230 -0.00859 0.00095 241 30 H 1S -0.00420 0.01036 -0.00986 0.01869 0.04482 242 2S -0.00696 0.01518 -0.01991 0.03797 0.08042 243 31 H 1S -0.00440 0.01162 -0.01822 -0.00572 -0.04502 244 2S -0.00755 0.01756 -0.03514 -0.00587 -0.08269 245 32 H 1S 0.00812 -0.01832 0.02035 0.01204 -0.00517 246 2S 0.00530 -0.01282 0.02747 -0.00938 -0.00035 247 33 H 1S -0.00508 0.01158 -0.01804 -0.01414 -0.04375 248 2S -0.00827 0.01779 -0.03835 -0.03173 -0.07897 249 34 H 1S -0.00498 0.01084 -0.01018 0.01084 0.04726 250 2S -0.00809 0.01650 -0.02377 0.01466 0.08962 36 37 38 39 40 36 3S 0.22875 37 3PX 0.01361 0.05468 38 3PY -0.01122 0.00336 0.06056 39 3PZ 0.01294 0.01073 0.03978 0.17002 40 4XX -0.00203 -0.00347 0.00229 -0.00151 0.00110 41 4YY 0.00069 0.00491 -0.00462 0.00149 -0.00079 42 4ZZ -0.01091 -0.00037 0.00107 0.00069 0.00015 43 4XY -0.00344 0.00042 0.00132 -0.00295 0.00039 44 4XZ -0.00079 -0.00057 -0.00369 -0.00896 -0.00011 45 4YZ -0.00356 -0.00166 0.00222 0.00107 0.00031 46 4 C 1S 0.00720 -0.00499 -0.00305 0.00037 -0.00271 47 2S -0.00179 0.02438 0.01676 -0.00517 0.00429 48 2PX -0.08637 -0.05392 -0.03171 0.01490 0.00728 49 2PY -0.07206 -0.05226 -0.03454 0.01661 -0.00672 50 2PZ 0.02869 0.02171 0.01059 -0.00232 0.00194 51 3S -0.02205 0.00788 0.01329 -0.00065 0.00611 52 3PX -0.03055 -0.01760 -0.01349 0.02012 0.00246 53 3PY -0.01485 -0.01976 -0.01016 0.01616 -0.00355 54 3PZ 0.00962 0.00748 0.00255 -0.00215 0.00108 55 4XX 0.00520 -0.00092 0.00255 -0.00165 0.00027 56 4YY 0.00082 0.00140 -0.00358 -0.00099 -0.00071 57 4ZZ -0.00421 -0.00199 -0.00032 0.00284 0.00028 58 4XY 0.00917 0.00282 0.00007 -0.00343 -0.00001 59 4XZ -0.00323 -0.00153 -0.00307 -0.00755 -0.00008 60 4YZ -0.00172 -0.00168 -0.00039 -0.00380 0.00049 61 5 C 1S 0.01180 0.00322 0.00273 0.00939 -0.00123 62 2S -0.01720 -0.01068 -0.00507 -0.01606 0.00210 63 2PX 0.03376 0.01775 0.01883 0.01548 -0.00428 64 2PY 0.04441 0.00195 -0.00624 -0.00146 -0.00218 65 2PZ 0.00128 0.00228 -0.00119 0.01539 -0.00485 66 3S -0.02019 -0.01909 -0.01637 -0.08019 0.00246 67 3PX 0.01839 0.00421 0.00918 0.00184 -0.00145 68 3PY 0.01711 0.00092 -0.01041 -0.01227 -0.00103 69 3PZ -0.00218 0.00270 0.00053 0.01858 -0.00227 70 4XX 0.00268 0.00184 0.00101 0.00168 -0.00015 71 4YY -0.00038 0.00057 0.00044 0.00048 -0.00015 72 4ZZ -0.00174 -0.00158 -0.00085 -0.00010 0.00020 73 4XY 0.00350 0.00216 0.00141 0.00121 0.00006 74 4XZ -0.00245 0.00037 -0.00007 0.00007 0.00020 75 4YZ 0.00038 0.00018 -0.00017 -0.00002 0.00023 76 6 C 1S -0.00223 -0.00259 0.00117 -0.00276 0.00042 77 2S 0.01542 0.00855 0.00367 0.00216 -0.00096 78 2PX -0.04576 -0.01358 -0.02034 0.00089 0.00156 79 2PY -0.02635 -0.00747 -0.00171 -0.00063 0.00130 80 2PZ -0.02476 -0.00293 -0.01500 0.01423 -0.00029 81 3S 0.02055 0.01606 0.01285 0.03088 -0.00093 82 3PX -0.02314 -0.00830 -0.01111 -0.01037 0.00078 83 3PY -0.00622 -0.00491 -0.00483 -0.01594 0.00052 84 3PZ -0.01955 -0.00031 -0.00843 0.01295 0.00027 85 4XX -0.00049 -0.00050 -0.00094 -0.00053 0.00007 86 4YY -0.00079 0.00011 0.00059 -0.00001 0.00002 87 4ZZ -0.00016 -0.00010 0.00012 0.00020 -0.00002 88 4XY 0.00042 -0.00012 0.00033 -0.00021 -0.00001 89 4XZ -0.00207 -0.00067 -0.00096 -0.00019 0.00016 90 4YZ 0.00001 -0.00039 -0.00007 -0.00026 0.00007 91 7 C 1S 0.00262 0.00095 0.00301 -0.00024 -0.00008 92 2S -0.00423 -0.00119 -0.00542 -0.00052 0.00019 93 2PX 0.00711 0.00186 0.00847 -0.00021 -0.00005 94 2PY -0.01025 -0.00073 -0.00439 -0.00013 0.00021 95 2PZ -0.03511 -0.00802 -0.02072 0.00381 0.00130 96 3S -0.00065 -0.00372 -0.00787 -0.00433 0.00048 97 3PX -0.00333 -0.00076 0.00098 0.00548 0.00038 98 3PY -0.00662 -0.00202 -0.00235 0.00178 0.00028 99 3PZ -0.02384 -0.00612 -0.01508 -0.00103 0.00087 100 4XX 0.00159 0.00053 0.00053 -0.00022 -0.00007 101 4YY -0.00093 -0.00040 -0.00027 -0.00024 0.00006 102 4ZZ -0.00004 -0.00003 0.00010 0.00002 -0.00000 103 4XY 0.00112 0.00038 0.00064 0.00002 -0.00004 104 4XZ 0.00098 0.00014 0.00058 -0.00058 0.00002 105 4YZ -0.00086 -0.00021 -0.00048 0.00020 0.00003 106 8 C 1S -0.00138 -0.00042 -0.00115 -0.00010 0.00007 107 2S 0.00340 0.00118 0.00240 0.00041 -0.00014 108 2PX -0.01004 -0.00465 -0.00744 -0.00068 0.00035 109 2PY -0.00144 0.00122 -0.00094 -0.00059 0.00015 110 2PZ 0.00451 0.00264 0.00223 -0.00270 0.00007 111 3S 0.01100 0.00508 0.00570 -0.00300 -0.00076 112 3PX -0.00151 -0.00216 -0.00249 -0.00174 0.00026 113 3PY -0.00350 -0.00082 -0.00158 0.00157 0.00035 114 3PZ 0.00295 0.00176 0.00144 -0.00233 0.00007 115 4XX 0.00004 -0.00002 -0.00004 -0.00018 -0.00001 116 4YY 0.00028 0.00013 0.00018 0.00006 -0.00000 117 4ZZ -0.00066 -0.00018 -0.00039 0.00008 0.00003 118 4XY 0.00064 0.00024 0.00042 0.00003 -0.00002 119 4XZ 0.00188 0.00050 0.00106 -0.00012 -0.00007 120 4YZ -0.00006 -0.00008 -0.00005 -0.00001 -0.00000 121 9 C 1S 0.00155 0.00068 0.00122 0.00006 -0.00004 122 2S -0.00287 -0.00118 -0.00227 -0.00027 0.00005 123 2PX 0.00859 0.00457 0.00559 -0.00022 -0.00024 124 2PY 0.00026 -0.00026 -0.00033 -0.00068 -0.00006 125 2PZ 0.01876 0.00586 0.01060 -0.00142 -0.00067 126 3S -0.00645 -0.00202 -0.00345 0.00214 0.00027 127 3PX 0.00751 0.00282 0.00371 -0.00158 -0.00031 128 3PY -0.00052 0.00016 0.00001 -0.00066 -0.00010 129 3PZ 0.01723 0.00549 0.00997 -0.00058 -0.00065 130 4XX 0.00015 0.00003 0.00015 0.00013 -0.00001 131 4YY 0.00004 0.00007 0.00003 -0.00004 0.00001 132 4ZZ 0.00010 0.00004 0.00005 -0.00003 -0.00000 133 4XY 0.00025 0.00012 0.00014 -0.00001 -0.00001 134 4XZ -0.00007 -0.00006 -0.00001 0.00010 -0.00001 135 4YZ 0.00000 0.00002 -0.00001 -0.00009 0.00001 136 10 C 1S -0.00007 0.00006 -0.00003 -0.00000 -0.00001 137 2S 0.00070 0.00022 0.00026 0.00011 0.00001 138 2PX -0.00066 -0.00073 0.00004 -0.00020 -0.00004 139 2PY 0.00033 0.00043 0.00093 0.00015 -0.00003 140 2PZ 0.00329 -0.00003 0.00169 0.00108 -0.00027 141 3S -0.00102 -0.00004 -0.00059 -0.00066 0.00002 142 3PX -0.00035 -0.00006 0.00018 0.00112 0.00005 143 3PY -0.00094 -0.00004 0.00009 -0.00002 -0.00001 144 3PZ 0.00149 -0.00021 0.00075 0.00065 -0.00015 145 4XX -0.00011 -0.00006 0.00003 -0.00004 -0.00000 146 4YY 0.00043 0.00019 0.00014 -0.00002 -0.00001 147 4ZZ -0.00045 -0.00018 -0.00025 0.00003 0.00001 148 4XY 0.00046 0.00021 0.00023 -0.00002 -0.00001 149 4XZ 0.00025 0.00015 0.00015 -0.00001 -0.00000 150 4YZ 0.00115 0.00042 0.00070 -0.00008 -0.00004 151 11 C 1S 0.00040 0.00030 0.00014 0.00008 -0.00000 152 2S -0.00066 -0.00035 -0.00021 -0.00010 0.00000 153 2PX 0.00086 0.00081 0.00011 0.00032 0.00002 154 2PY -0.00052 -0.00015 -0.00035 -0.00002 0.00002 155 2PZ -0.00186 -0.00040 -0.00094 -0.00008 0.00008 156 3S -0.00117 -0.00088 -0.00039 -0.00081 -0.00004 157 3PX 0.00039 0.00047 0.00000 0.00040 0.00004 158 3PY -0.00013 0.00002 -0.00004 0.00015 0.00000 159 3PZ -0.00173 -0.00052 -0.00094 -0.00002 0.00006 160 4XX -0.00007 -0.00003 -0.00006 -0.00003 0.00001 161 4YY 0.00008 0.00005 0.00005 0.00001 -0.00000 162 4ZZ 0.00005 0.00000 0.00001 0.00002 -0.00000 163 4XY -0.00003 -0.00000 -0.00004 0.00001 0.00000 164 4XZ -0.00022 -0.00002 -0.00012 -0.00004 0.00001 165 4YZ 0.00008 0.00004 0.00005 -0.00000 -0.00000 166 12 H 1S 0.00014 0.00010 0.00020 0.00001 -0.00001 167 2S 0.00055 0.00041 0.00042 0.00021 -0.00001 168 13 H 1S 0.00114 0.00022 0.00054 0.00017 -0.00006 169 2S 0.00027 -0.00011 -0.00005 0.00034 -0.00003 170 14 H 1S -0.00105 -0.00004 -0.00069 -0.00006 0.00007 171 2S 0.00024 0.00046 -0.00002 -0.00015 0.00004 172 15 O 1S 0.00079 0.00006 0.00026 0.00006 0.00000 173 2S -0.00102 -0.00039 -0.00039 -0.00012 -0.00001 174 2PX 0.00039 -0.00011 -0.00164 0.00082 0.00009 175 2PY -0.00113 -0.00063 -0.00043 0.00019 -0.00000 176 2PZ -0.01275 -0.00584 -0.00745 0.00111 0.00028 177 3S -0.00188 -0.00035 -0.00030 0.00023 0.00000 178 3PX -0.00050 -0.00024 -0.00112 0.00072 0.00009 179 3PY -0.00103 -0.00047 -0.00033 0.00019 0.00001 180 3PZ -0.00993 -0.00434 -0.00593 0.00057 0.00025 181 4XX -0.00006 -0.00007 -0.00009 0.00003 0.00001 182 4YY -0.00004 -0.00003 0.00002 0.00004 0.00000 183 4ZZ 0.00012 0.00008 0.00011 -0.00002 0.00000 184 4XY -0.00004 -0.00002 -0.00004 0.00006 0.00000 185 4XZ -0.00028 -0.00015 -0.00015 0.00005 0.00000 186 4YZ -0.00030 -0.00017 -0.00019 0.00004 0.00000 187 16 H 1S 0.00131 0.00110 0.00079 -0.00000 -0.00006 188 2S 0.00293 0.00163 0.00207 0.00074 -0.00009 189 17 H 1S 0.00134 0.00121 0.00076 0.00026 -0.00002 190 2S 0.00177 0.00112 0.00092 -0.00010 -0.00004 191 18 H 1S -0.00160 -0.00190 -0.00165 -0.00052 0.00018 192 2S -0.00527 -0.00314 -0.00008 -0.00004 0.00033 193 19 C 1S 0.00066 0.00048 -0.00127 0.00041 -0.00014 194 2S -0.00111 0.00097 0.00262 -0.00095 0.00032 195 2PX -0.00645 -0.00738 -0.00318 0.00151 -0.00037 196 2PY 0.00627 -0.00200 -0.00595 -0.00021 -0.00039 197 2PZ -0.01789 -0.00857 -0.00651 0.00355 -0.00017 198 3S -0.00983 0.00081 0.00600 0.00272 0.00083 199 3PX -0.00530 -0.00411 -0.00120 0.00463 -0.00010 200 3PY 0.00809 0.00089 -0.00133 -0.00210 -0.00005 201 3PZ -0.01156 -0.00626 -0.00562 0.00204 -0.00006 202 4XX -0.00013 -0.00021 -0.00041 -0.00014 0.00000 203 4YY 0.00060 0.00014 0.00034 0.00001 -0.00003 204 4ZZ -0.00019 0.00004 -0.00014 0.00002 0.00002 205 4XY 0.00138 0.00013 0.00023 -0.00008 -0.00008 206 4XZ 0.00006 0.00040 0.00006 -0.00003 0.00004 207 4YZ 0.00040 -0.00008 0.00028 -0.00040 -0.00001 208 20 H 1S 0.00375 -0.00228 -0.00122 0.00019 -0.00037 209 2S 0.00824 -0.00089 -0.00156 -0.00013 -0.00073 210 21 H 1S 0.00616 0.00607 0.00215 -0.00132 0.00030 211 2S -0.00283 0.00117 -0.00443 0.00326 0.00013 212 22 H 1S -0.00548 -0.00285 -0.00216 0.00033 0.00002 213 2S -0.00138 -0.00213 -0.00106 -0.00083 -0.00024 214 23 H 1S -0.00400 -0.01005 -0.00998 -0.00484 -0.00036 215 2S 0.00419 -0.00761 0.00043 0.01738 -0.00029 216 24 H 1S -0.02717 -0.00283 0.00248 -0.00098 -0.00047 217 2S -0.02212 0.00057 -0.00194 0.00786 -0.00189 218 25 H 1S -0.02451 -0.00985 0.00637 0.01873 0.00506 219 2S -0.01367 -0.01421 0.01231 0.03558 0.00348 220 26 H 1S -0.03224 -0.00926 -0.01540 0.00881 -0.00514 221 2S -0.03187 -0.00481 -0.02499 0.00810 -0.00636 222 27 H 1S 0.09682 0.04195 -0.07864 0.01823 -0.00901 223 2S 0.02294 0.03586 -0.06218 0.01582 -0.00881 224 28 C 1S 0.00844 -0.00564 -0.00148 0.00113 0.00050 225 2S -0.01946 0.00899 -0.00174 -0.00090 -0.00074 226 2PX -0.04252 0.01905 0.01323 -0.00971 0.00071 227 2PY 0.02703 -0.04424 -0.02916 0.00120 0.00144 228 2PZ -0.00823 0.00795 -0.00675 -0.03739 -0.00071 229 3S -0.02559 0.02366 -0.00556 -0.00092 -0.00330 230 3PX -0.02132 0.00914 0.00705 -0.00329 -0.00009 231 3PY 0.01458 -0.02961 -0.00866 0.00212 0.00271 232 3PZ -0.00359 0.00726 -0.00069 -0.00491 -0.00089 233 4XX 0.00270 -0.00186 0.00088 0.00113 0.00002 234 4YY -0.00260 0.00077 -0.00079 -0.00339 0.00026 235 4ZZ 0.00171 -0.00072 -0.00030 0.00252 -0.00008 236 4XY -0.00229 0.00074 -0.00170 0.00182 -0.00008 237 4XZ 0.00118 0.00058 0.00296 0.00759 -0.00001 238 4YZ 0.00108 -0.00133 -0.00225 -0.00626 -0.00004 239 29 H 1S -0.01817 -0.00620 -0.01098 0.00217 0.00051 240 2S -0.01590 -0.00068 -0.01232 0.00389 0.00019 241 30 H 1S 0.01850 -0.00653 0.00706 0.04254 -0.00041 242 2S 0.02483 -0.00687 0.01922 0.06808 -0.00032 243 31 H 1S 0.01152 -0.01283 -0.01949 -0.03629 -0.00041 244 2S 0.01496 -0.01833 -0.02333 -0.06267 0.00008 245 32 H 1S -0.02042 -0.01121 0.01066 -0.00234 -0.00003 246 2S -0.01449 0.00021 0.00630 -0.00239 -0.00156 247 33 H 1S 0.01400 0.00183 -0.00561 -0.03971 -0.00137 248 2S 0.01736 -0.00532 -0.01795 -0.06627 -0.00129 249 34 H 1S 0.01837 0.00957 0.01789 0.03591 -0.00148 250 2S 0.02597 0.00754 0.02362 0.06572 -0.00187 41 42 43 44 45 41 4YY 0.00162 42 4ZZ 0.00015 0.00086 43 4XY -0.00039 0.00011 0.00118 44 4XZ 0.00025 -0.00012 -0.00010 0.00089 45 4YZ -0.00044 0.00017 0.00011 -0.00003 0.00029 46 4 C 1S -0.00063 0.00097 -0.00514 0.00182 0.00104 47 2S 0.00057 -0.00227 0.00965 -0.00320 -0.00166 48 2PX -0.00378 0.00354 -0.00808 0.00176 0.00365 49 2PY 0.01026 0.00237 -0.00365 0.00479 -0.00114 50 2PZ 0.00021 -0.00481 0.00469 0.00811 0.00415 51 3S -0.00217 -0.00162 0.01295 -0.00423 -0.00061 52 3PX -0.00032 0.00133 -0.00510 0.00034 0.00120 53 3PY 0.00484 0.00044 -0.00260 0.00175 -0.00065 54 3PZ -0.00001 -0.00216 0.00219 0.00367 0.00196 55 4XX -0.00057 -0.00024 0.00003 -0.00000 0.00011 56 4YY 0.00093 -0.00001 -0.00015 0.00014 -0.00040 57 4ZZ -0.00028 0.00027 -0.00030 -0.00013 0.00020 58 4XY -0.00013 -0.00047 0.00020 0.00024 -0.00001 59 4XZ 0.00029 -0.00005 0.00012 0.00092 0.00008 60 4YZ -0.00059 0.00013 -0.00005 -0.00000 0.00018 61 5 C 1S 0.00019 -0.00001 -0.00044 -0.00144 -0.00072 62 2S -0.00085 -0.00018 0.00063 0.00301 0.00141 63 2PX 0.00127 0.00068 -0.00232 -0.00518 -0.00326 64 2PY 0.00102 -0.00023 -0.00076 -0.00246 -0.00026 65 2PZ 0.00002 0.00282 -0.00216 -0.00436 -0.00218 66 3S -0.00194 -0.00029 0.00135 0.00663 0.00137 67 3PX -0.00000 0.00004 -0.00084 -0.00246 -0.00151 68 3PY 0.00101 -0.00023 -0.00013 -0.00027 -0.00036 69 3PZ 0.00041 0.00147 -0.00073 -0.00296 -0.00121 70 4XX 0.00012 -0.00014 0.00022 -0.00013 -0.00003 71 4YY 0.00004 0.00006 -0.00012 -0.00006 -0.00011 72 4ZZ -0.00009 0.00009 -0.00008 -0.00007 0.00004 73 4XY -0.00006 -0.00015 0.00012 -0.00021 0.00000 74 4XZ 0.00010 -0.00014 0.00031 0.00019 0.00003 75 4YZ -0.00028 -0.00000 0.00008 -0.00012 0.00012 76 6 C 1S -0.00016 -0.00005 0.00018 0.00048 0.00011 77 2S 0.00023 -0.00034 -0.00005 -0.00100 -0.00045 78 2PX -0.00068 0.00053 0.00040 0.00235 0.00115 79 2PY -0.00060 0.00035 0.00031 0.00145 0.00059 80 2PZ -0.00013 -0.00010 0.00004 -0.00097 -0.00007 81 3S 0.00021 -0.00039 0.00014 -0.00273 -0.00012 82 3PX -0.00011 0.00023 0.00028 0.00169 0.00046 83 3PY -0.00058 -0.00001 -0.00018 0.00100 -0.00000 84 3PZ -0.00020 -0.00012 0.00026 -0.00047 0.00025 85 4XX 0.00002 -0.00003 0.00002 0.00013 0.00009 86 4YY -0.00000 0.00001 0.00003 0.00005 -0.00002 87 4ZZ 0.00001 0.00005 -0.00002 -0.00006 -0.00002 88 4XY 0.00003 -0.00001 -0.00003 -0.00001 -0.00002 89 4XZ -0.00001 -0.00006 0.00002 0.00018 0.00008 90 4YZ -0.00001 -0.00001 0.00000 0.00005 0.00004 91 7 C 1S 0.00008 0.00001 -0.00004 -0.00021 -0.00016 92 2S -0.00015 -0.00008 0.00019 0.00051 0.00034 93 2PX 0.00014 -0.00017 -0.00010 -0.00054 -0.00035 94 2PY 0.00004 0.00003 0.00001 0.00038 0.00014 95 2PZ -0.00050 -0.00049 0.00022 0.00130 0.00084 96 3S -0.00047 -0.00011 -0.00027 0.00060 0.00040 97 3PX 0.00003 -0.00013 0.00003 0.00002 0.00027 98 3PY -0.00008 0.00003 -0.00014 0.00019 0.00015 99 3PZ -0.00024 -0.00046 0.00020 0.00122 0.00053 100 4XX 0.00003 -0.00002 -0.00002 -0.00008 -0.00005 101 4YY -0.00003 0.00000 0.00001 0.00008 0.00003 102 4ZZ 0.00000 0.00000 -0.00000 -0.00002 -0.00001 103 4XY 0.00002 -0.00001 -0.00002 -0.00007 -0.00004 104 4XZ -0.00001 0.00001 -0.00000 0.00003 0.00001 105 4YZ -0.00001 -0.00001 0.00000 0.00001 0.00002 106 8 C 1S -0.00006 -0.00001 0.00002 0.00013 0.00007 107 2S 0.00010 -0.00002 -0.00005 -0.00027 -0.00014 108 2PX -0.00016 0.00017 0.00001 0.00057 0.00031 109 2PY -0.00020 -0.00006 0.00008 0.00025 0.00015 110 2PZ -0.00001 -0.00010 -0.00001 0.00009 0.00001 111 3S 0.00030 -0.00005 0.00002 -0.00082 -0.00066 112 3PX -0.00016 0.00004 -0.00016 0.00017 0.00013 113 3PY -0.00014 -0.00003 0.00001 0.00034 0.00030 114 3PZ -0.00003 -0.00006 0.00000 0.00010 0.00002 115 4XX 0.00001 0.00002 -0.00000 0.00001 -0.00000 116 4YY -0.00001 -0.00001 0.00001 -0.00001 -0.00000 117 4ZZ -0.00001 -0.00001 0.00000 0.00003 0.00002 118 4XY 0.00000 -0.00000 0.00000 -0.00003 -0.00001 119 4XZ 0.00002 0.00003 -0.00001 -0.00007 -0.00004 120 4YZ 0.00001 0.00000 -0.00000 0.00000 -0.00000 121 9 C 1S 0.00001 -0.00004 0.00002 -0.00005 -0.00002 122 2S -0.00002 0.00007 -0.00002 0.00011 0.00004 123 2PX 0.00002 -0.00008 0.00001 -0.00035 -0.00017 124 2PY 0.00006 0.00013 -0.00006 -0.00006 -0.00004 125 2PZ 0.00022 0.00029 -0.00009 -0.00071 -0.00037 126 3S -0.00006 0.00004 0.00003 0.00044 0.00028 127 3PX 0.00006 0.00001 -0.00005 -0.00040 -0.00026 128 3PY 0.00006 0.00012 0.00007 0.00001 -0.00003 129 3PZ 0.00022 0.00027 -0.00008 -0.00070 -0.00036 130 4XX 0.00001 0.00000 -0.00000 -0.00002 -0.00001 131 4YY -0.00001 -0.00001 0.00000 0.00001 0.00001 132 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 133 4XY 0.00001 -0.00000 -0.00000 -0.00002 -0.00001 134 4XZ 0.00000 0.00000 0.00000 -0.00001 -0.00000 135 4YZ -0.00000 -0.00000 0.00000 0.00001 0.00000 136 10 C 1S 0.00002 0.00000 -0.00000 -0.00001 -0.00001 137 2S -0.00004 -0.00004 0.00001 0.00002 0.00002 138 2PX 0.00006 0.00008 -0.00003 -0.00007 -0.00003 139 2PY 0.00001 0.00000 0.00002 -0.00001 0.00001 140 2PZ 0.00005 0.00012 -0.00007 -0.00026 -0.00012 141 3S -0.00007 -0.00000 0.00008 0.00013 0.00004 142 3PX -0.00003 -0.00000 -0.00001 0.00001 0.00005 143 3PY 0.00000 0.00004 0.00005 0.00001 0.00001 144 3PZ 0.00003 0.00007 -0.00005 -0.00016 -0.00007 145 4XX 0.00002 0.00001 -0.00000 -0.00001 -0.00000 146 4YY -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 147 4ZZ -0.00000 -0.00000 -0.00000 0.00002 0.00001 148 4XY 0.00000 -0.00000 -0.00000 -0.00002 -0.00001 149 4XZ 0.00000 -0.00000 0.00000 -0.00001 -0.00000 150 4YZ 0.00002 0.00002 -0.00000 -0.00005 -0.00002 151 11 C 1S -0.00001 -0.00002 0.00001 0.00000 0.00000 152 2S 0.00003 0.00003 -0.00000 0.00000 0.00000 153 2PX -0.00007 -0.00007 0.00002 0.00003 0.00002 154 2PY -0.00001 -0.00000 0.00000 0.00003 0.00001 155 2PZ -0.00001 -0.00003 0.00002 0.00008 0.00004 156 3S 0.00011 0.00008 -0.00001 -0.00003 -0.00004 157 3PX -0.00007 -0.00005 0.00001 0.00004 0.00003 158 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 159 3PZ -0.00001 -0.00002 0.00001 0.00006 0.00003 160 4XX -0.00000 -0.00000 0.00000 0.00001 0.00000 161 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 162 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 163 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 164 4XZ -0.00000 -0.00001 0.00000 0.00002 0.00001 165 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 166 12 H 1S 0.00001 0.00000 0.00000 -0.00001 -0.00000 167 2S -0.00001 -0.00002 0.00001 -0.00002 -0.00000 168 13 H 1S 0.00000 0.00002 -0.00001 -0.00005 -0.00003 169 2S -0.00002 0.00000 -0.00001 -0.00002 -0.00001 170 14 H 1S -0.00003 -0.00004 0.00002 0.00008 0.00004 171 2S -0.00003 -0.00003 0.00002 0.00004 0.00001 172 15 O 1S -0.00004 -0.00004 0.00001 0.00001 0.00001 173 2S 0.00005 0.00005 -0.00002 -0.00003 -0.00001 174 2PX -0.00023 -0.00014 -0.00001 0.00011 0.00005 175 2PY 0.00006 -0.00002 0.00001 0.00002 0.00001 176 2PZ -0.00011 -0.00007 -0.00003 0.00042 0.00022 177 3S 0.00009 0.00007 -0.00000 -0.00003 0.00001 178 3PX -0.00018 -0.00008 0.00000 0.00009 0.00006 179 3PY 0.00005 -0.00001 0.00001 0.00002 0.00002 180 3PZ -0.00009 -0.00008 -0.00001 0.00036 0.00018 181 4XX -0.00001 -0.00000 -0.00000 0.00000 0.00000 182 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 183 4ZZ -0.00000 0.00000 0.00000 -0.00001 -0.00000 184 4XY -0.00001 -0.00000 -0.00000 0.00000 0.00000 185 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 186 4YZ -0.00000 0.00000 -0.00000 0.00001 0.00000 187 16 H 1S 0.00002 -0.00001 -0.00002 -0.00012 -0.00006 188 2S 0.00006 -0.00004 -0.00002 -0.00021 -0.00009 189 17 H 1S -0.00006 -0.00006 0.00003 -0.00003 0.00001 190 2S -0.00010 -0.00006 0.00005 -0.00006 -0.00002 191 18 H 1S -0.00014 -0.00003 0.00006 0.00030 0.00017 192 2S -0.00022 0.00013 -0.00001 0.00029 0.00016 193 19 C 1S 0.00020 -0.00003 -0.00002 -0.00008 -0.00003 194 2S -0.00040 -0.00001 0.00013 0.00016 0.00007 195 2PX 0.00071 0.00010 -0.00011 0.00012 -0.00012 196 2PY 0.00032 -0.00013 -0.00017 -0.00044 -0.00004 197 2PZ 0.00053 0.00015 -0.00012 0.00045 -0.00001 198 3S -0.00071 0.00008 0.00055 0.00059 0.00043 199 3PX 0.00028 0.00014 -0.00018 -0.00014 -0.00005 200 3PY -0.00023 -0.00023 -0.00009 -0.00038 0.00001 201 3PZ 0.00050 -0.00000 -0.00008 0.00050 0.00002 202 4XX 0.00002 -0.00000 -0.00001 0.00002 0.00001 203 4YY 0.00003 -0.00001 0.00000 -0.00003 -0.00002 204 4ZZ -0.00004 0.00000 -0.00000 -0.00001 0.00001 205 4XY 0.00007 -0.00002 -0.00002 -0.00007 -0.00004 206 4XZ -0.00004 -0.00001 0.00001 0.00001 0.00001 207 4YZ 0.00004 0.00001 -0.00001 0.00005 -0.00001 208 20 H 1S 0.00040 -0.00006 -0.00008 -0.00026 -0.00014 209 2S 0.00077 -0.00013 -0.00012 -0.00041 -0.00029 210 21 H 1S -0.00051 -0.00009 0.00007 -0.00011 0.00009 211 2S 0.00004 -0.00003 -0.00010 -0.00003 0.00003 212 22 H 1S 0.00002 0.00008 -0.00007 0.00021 0.00004 213 2S 0.00016 0.00025 -0.00020 -0.00001 -0.00010 214 23 H 1S -0.00096 0.00124 -0.00068 -0.00033 0.00052 215 2S -0.00151 0.00143 -0.00169 -0.00262 0.00038 216 24 H 1S 0.00020 0.00088 -0.00050 0.00099 -0.00073 217 2S 0.00207 0.00081 -0.00112 0.00054 -0.00134 218 25 H 1S -0.00461 0.00233 -0.00105 -0.00685 -0.00057 219 2S -0.00480 0.00257 -0.00340 -0.00652 0.00026 220 26 H 1S 0.00831 0.00084 0.00168 -0.00024 -0.00338 221 2S 0.00907 0.00122 -0.00159 0.00120 -0.00325 222 27 H 1S 0.01412 -0.00492 -0.00855 0.00281 -0.00594 223 2S 0.01398 -0.00123 -0.00893 0.00314 -0.00468 224 28 C 1S -0.00118 -0.00033 0.00187 -0.00059 0.00010 225 2S 0.00231 0.00054 -0.00339 0.00106 -0.00026 226 2PX 0.00279 -0.00026 -0.00579 0.00140 -0.00034 227 2PY -0.00496 -0.00043 0.00767 -0.00252 0.00109 228 2PZ 0.00158 -0.00016 -0.00171 -0.00014 0.00059 229 3S 0.00601 0.00084 -0.00723 0.00241 -0.00107 230 3PX 0.00183 -0.00002 -0.00382 0.00089 -0.00021 231 3PY -0.00478 -0.00042 0.00446 -0.00178 0.00126 232 3PZ 0.00141 0.00001 -0.00112 -0.00049 0.00025 233 4XX -0.00024 -0.00010 0.00002 -0.00007 0.00004 234 4YY 0.00003 -0.00003 -0.00005 0.00020 -0.00002 235 4ZZ -0.00009 0.00005 0.00022 -0.00021 0.00003 236 4XY 0.00015 0.00015 0.00035 -0.00011 -0.00005 237 4XZ -0.00004 0.00003 -0.00016 -0.00030 0.00001 238 4YZ -0.00007 -0.00005 0.00019 0.00037 -0.00002 239 29 H 1S 0.00041 0.00018 0.00050 -0.00017 -0.00012 240 2S 0.00075 0.00029 0.00238 -0.00065 -0.00038 241 30 H 1S -0.00109 0.00038 0.00105 -0.00123 -0.00011 242 2S -0.00174 0.00030 0.00090 -0.00314 0.00030 243 31 H 1S -0.00070 -0.00023 0.00159 0.00059 0.00048 244 2S -0.00156 -0.00065 0.00231 0.00212 0.00033 245 32 H 1S 0.00088 0.00020 0.00035 -0.00008 -0.00025 246 2S 0.00263 0.00007 -0.00154 0.00062 -0.00072 247 33 H 1S -0.00007 -0.00008 -0.00135 0.00144 -0.00035 248 2S -0.00014 -0.00063 -0.00168 0.00355 -0.00049 249 34 H 1S 0.00031 -0.00017 -0.00171 -0.00037 0.00048 250 2S 0.00029 -0.00019 -0.00304 -0.00212 0.00059 46 47 48 49 50 46 4 C 1S 2.05114 47 2S -0.05334 0.30496 48 2PX -0.00020 0.00017 0.39420 49 2PY -0.00101 -0.00080 -0.01187 0.40234 50 2PZ 0.00353 -0.00178 -0.01091 -0.00134 0.38601 51 3S -0.19303 0.28942 -0.01621 -0.00805 0.00568 52 3PX -0.00025 0.00173 0.18503 0.00025 -0.01268 53 3PY -0.00066 0.00371 -0.00454 0.18012 -0.00195 54 3PZ -0.00043 -0.00208 -0.00265 0.00070 0.17315 55 4XX -0.01600 -0.00425 -0.00226 -0.00723 0.00321 56 4YY -0.01724 -0.00148 -0.00978 0.01301 -0.00624 57 4ZZ -0.01642 -0.00345 0.01285 -0.00364 -0.00275 58 4XY 0.00147 -0.00316 -0.00739 -0.01140 0.01167 59 4XZ 0.00104 -0.00222 0.00048 0.01185 0.01445 60 4YZ 0.00010 -0.00015 0.01189 -0.01061 -0.00342 61 5 C 1S 0.00988 -0.01830 -0.03696 -0.00816 -0.04936 62 2S -0.01809 0.02827 0.07568 0.01620 0.10056 63 2PX 0.03630 -0.07463 -0.11136 -0.02144 -0.15086 64 2PY 0.00689 -0.01438 -0.01965 0.00383 -0.03009 65 2PZ 0.04932 -0.10132 -0.15093 -0.03417 -0.19106 66 3S 0.00562 0.00493 0.06399 0.01795 0.10977 67 3PX 0.00652 -0.02067 -0.04816 -0.00914 -0.07664 68 3PY -0.00023 -0.00123 -0.00658 0.00700 -0.01056 69 3PZ 0.01066 -0.03255 -0.06800 -0.01132 -0.09914 70 4XX -0.00133 0.00183 -0.00765 0.00010 0.00364 71 4YY 0.00187 -0.00437 -0.00464 -0.00142 -0.00518 72 4ZZ -0.00314 0.00478 0.00831 0.00056 -0.00488 73 4XY -0.00089 0.00182 -0.00076 -0.00673 0.00292 74 4XZ -0.00497 0.00926 0.00304 0.00370 0.00806 75 4YZ -0.00111 0.00213 0.00432 -0.00830 0.00054 76 6 C 1S -0.00303 0.00488 0.00953 0.00510 0.00311 77 2S 0.00553 -0.01154 -0.02548 -0.01100 -0.00619 78 2PX -0.00935 0.02217 0.03389 0.01519 0.01756 79 2PY -0.00456 0.01075 0.02092 0.00197 0.00650 80 2PZ -0.00521 0.00588 -0.00177 -0.00835 -0.01208 81 3S 0.00914 -0.01132 -0.03135 -0.03313 0.00228 82 3PX -0.00616 0.01451 0.02115 0.01882 0.01302 83 3PY -0.00064 0.00066 0.01097 -0.00349 -0.00772 84 3PZ -0.00662 0.01150 0.00919 -0.00988 0.00620 85 4XX -0.00120 0.00184 0.00423 0.00173 0.00492 86 4YY -0.00009 -0.00029 -0.00109 -0.00016 0.00019 87 4ZZ -0.00001 -0.00029 -0.00094 -0.00011 -0.00290 88 4XY -0.00020 0.00009 0.00131 0.00083 0.00094 89 4XZ -0.00144 0.00293 0.00571 0.00198 0.00465 90 4YZ -0.00052 0.00112 0.00250 0.00042 0.00171 91 7 C 1S 0.00074 -0.00185 -0.00264 -0.00105 -0.00389 92 2S -0.00135 0.00446 0.00515 0.00261 0.01058 93 2PX -0.00055 -0.00167 0.00127 -0.00295 -0.00557 94 2PY -0.00247 0.00502 0.01068 0.00327 0.00445 95 2PZ -0.01363 0.02462 0.04731 0.00532 0.03563 96 3S -0.00344 0.00479 0.02037 -0.00415 0.00411 97 3PX -0.00201 0.00690 0.01427 0.00049 0.01343 98 3PY -0.00227 0.00356 0.01298 0.00130 0.00352 99 3PZ -0.00920 0.01662 0.03258 0.00884 0.02921 100 4XX 0.00054 -0.00099 -0.00171 -0.00057 -0.00107 101 4YY -0.00018 0.00049 0.00121 0.00040 0.00102 102 4ZZ 0.00011 -0.00007 -0.00013 -0.00015 -0.00038 103 4XY 0.00018 -0.00046 -0.00069 -0.00025 -0.00068 104 4XZ 0.00016 -0.00018 0.00040 0.00002 0.00049 105 4YZ -0.00035 0.00062 0.00119 0.00001 0.00053 106 8 C 1S -0.00041 0.00115 0.00189 0.00077 0.00160 107 2S 0.00085 -0.00211 -0.00315 -0.00192 -0.00316 108 2PX -0.00157 0.00387 0.00772 0.00252 0.00751 109 2PY -0.00039 0.00122 0.00396 -0.00053 0.00403 110 2PZ -0.00029 0.00071 0.00502 0.00008 0.00344 111 3S 0.00353 -0.00975 -0.02432 -0.00283 -0.01729 112 3PX -0.00130 0.00275 0.00953 -0.00118 0.00044 113 3PY -0.00140 0.00431 0.01160 0.00064 0.00930 114 3PZ -0.00021 0.00010 0.00339 -0.00068 0.00287 115 4XX 0.00014 -0.00016 -0.00046 0.00024 -0.00042 116 4YY 0.00004 -0.00011 -0.00026 -0.00021 -0.00004 117 4ZZ -0.00027 0.00054 0.00110 0.00006 0.00076 118 4XY 0.00016 -0.00033 -0.00070 -0.00021 -0.00033 119 4XZ 0.00073 -0.00129 -0.00262 -0.00032 -0.00197 120 4YZ 0.00005 -0.00004 -0.00016 0.00012 -0.00013 121 9 C 1S 0.00016 -0.00033 -0.00075 -0.00042 -0.00053 122 2S -0.00028 0.00066 0.00120 0.00096 0.00073 123 2PX 0.00177 -0.00340 -0.00648 -0.00211 -0.00551 124 2PY 0.00078 -0.00123 -0.00236 0.00018 -0.00250 125 2PZ 0.00663 -0.01174 -0.02341 -0.00308 -0.01891 126 3S -0.00122 0.00366 0.00824 0.00328 0.00958 127 3PX 0.00203 -0.00435 -0.00945 -0.00212 -0.00948 128 3PY 0.00108 -0.00191 -0.00534 0.00084 -0.00139 129 3PZ 0.00626 -0.01095 -0.02278 -0.00273 -0.01806 130 4XX 0.00004 -0.00011 -0.00029 -0.00009 -0.00022 131 4YY -0.00001 0.00005 0.00018 -0.00003 0.00015 132 4ZZ 0.00001 -0.00001 -0.00002 0.00000 -0.00004 133 4XY 0.00003 -0.00006 -0.00018 -0.00002 -0.00025 134 4XZ 0.00003 -0.00007 -0.00029 -0.00004 -0.00026 135 4YZ -0.00003 0.00006 0.00019 0.00003 0.00019 136 10 C 1S 0.00002 -0.00002 -0.00016 0.00002 -0.00018 137 2S -0.00003 0.00012 0.00041 -0.00007 0.00030 138 2PX 0.00031 -0.00082 -0.00161 -0.00010 -0.00138 139 2PY 0.00028 -0.00051 -0.00094 -0.00040 -0.00045 140 2PZ 0.00197 -0.00374 -0.00806 -0.00088 -0.00684 141 3S 0.00016 -0.00023 -0.00105 0.00046 0.00081 142 3PX -0.00010 0.00067 0.00167 -0.00001 0.00139 143 3PY 0.00014 -0.00040 -0.00139 -0.00012 -0.00002 144 3PZ 0.00092 -0.00194 -0.00411 -0.00062 -0.00397 145 4XX 0.00003 -0.00002 -0.00013 0.00002 -0.00015 146 4YY 0.00012 -0.00023 -0.00046 -0.00004 -0.00032 147 4ZZ -0.00012 0.00023 0.00050 0.00007 0.00039 148 4XY 0.00010 -0.00020 -0.00040 -0.00008 -0.00033 149 4XZ 0.00005 -0.00008 -0.00020 -0.00004 -0.00015 150 4YZ 0.00038 -0.00066 -0.00139 -0.00019 -0.00114 151 11 C 1S 0.00002 0.00001 -0.00000 -0.00006 0.00000 152 2S -0.00002 0.00009 0.00009 0.00013 -0.00002 153 2PX -0.00010 0.00026 0.00067 -0.00013 0.00066 154 2PY -0.00016 0.00028 0.00052 0.00016 0.00039 155 2PZ -0.00071 0.00134 0.00259 0.00035 0.00213 156 3S 0.00002 -0.00045 -0.00120 0.00022 -0.00115 157 3PX -0.00013 0.00048 0.00122 -0.00003 0.00094 158 3PY -0.00008 0.00011 0.00019 0.00006 0.00035 159 3PZ -0.00054 0.00100 0.00180 0.00037 0.00157 160 4XX -0.00004 0.00007 0.00015 0.00002 0.00012 161 4YY 0.00002 -0.00003 -0.00007 -0.00003 -0.00006 162 4ZZ 0.00003 -0.00004 -0.00008 -0.00001 -0.00009 163 4XY -0.00002 0.00004 0.00007 0.00002 0.00006 164 4XZ -0.00011 0.00022 0.00046 0.00005 0.00038 165 4YZ 0.00003 -0.00005 -0.00012 -0.00001 -0.00009 166 12 H 1S 0.00004 -0.00006 -0.00014 -0.00011 -0.00009 167 2S 0.00007 -0.00014 -0.00025 -0.00025 0.00013 168 13 H 1S 0.00049 -0.00092 -0.00187 -0.00020 -0.00158 169 2S 0.00020 -0.00041 -0.00090 -0.00004 -0.00069 170 14 H 1S -0.00053 0.00104 0.00212 0.00028 0.00175 171 2S -0.00021 0.00045 0.00095 0.00003 0.00082 172 15 O 1S -0.00002 0.00005 0.00012 0.00002 0.00005 173 2S 0.00007 -0.00017 -0.00034 -0.00006 -0.00041 174 2PX -0.00064 0.00098 0.00268 0.00022 0.00222 175 2PY -0.00039 0.00091 0.00136 0.00028 0.00076 176 2PZ -0.00330 0.00550 0.01220 0.00178 0.00984 177 3S -0.00011 0.00016 0.00021 -0.00020 0.00107 178 3PX -0.00062 0.00101 0.00262 0.00005 0.00206 179 3PY -0.00041 0.00085 0.00146 0.00015 0.00110 180 3PZ -0.00277 0.00470 0.01037 0.00158 0.00850 181 4XX -0.00002 0.00003 0.00011 0.00001 -0.00001 182 4YY -0.00001 0.00005 0.00010 -0.00002 -0.00003 183 4ZZ 0.00004 -0.00003 -0.00006 -0.00003 -0.00016 184 4XY -0.00002 0.00004 0.00010 -0.00000 0.00005 185 4XZ -0.00004 0.00006 0.00012 0.00003 0.00009 186 4YZ -0.00005 0.00007 0.00017 0.00004 0.00014 187 16 H 1S 0.00020 -0.00042 -0.00092 -0.00035 -0.00123 188 2S 0.00028 -0.00067 -0.00151 -0.00095 -0.00167 189 17 H 1S 0.00019 -0.00047 -0.00062 -0.00110 0.00026 190 2S 0.00049 -0.00125 -0.00265 -0.00220 -0.00109 191 18 H 1S -0.00063 0.00175 0.00311 0.00156 0.00498 192 2S -0.00094 0.00165 0.00691 0.00173 0.00141 193 19 C 1S -0.00080 0.00138 0.00036 0.00416 -0.00111 194 2S 0.00162 -0.00207 -0.00058 -0.00952 0.00109 195 2PX -0.00354 0.00634 -0.00047 0.01940 -0.00326 196 2PY -0.00210 0.00292 0.00430 0.00542 0.00254 197 2PZ -0.00409 0.00860 0.00455 0.01763 0.00263 198 3S 0.00097 -0.00043 0.00036 -0.01128 0.01710 199 3PX -0.00194 0.00356 0.00312 0.00852 -0.00573 200 3PY 0.00123 -0.00165 0.00156 -0.01099 0.00247 201 3PZ -0.00489 0.00820 0.00827 0.01993 0.00618 202 4XX -0.00023 0.00041 0.00073 0.00072 0.00035 203 4YY 0.00006 -0.00015 -0.00079 0.00018 -0.00034 204 4ZZ -0.00000 -0.00001 0.00035 -0.00084 -0.00024 205 4XY 0.00001 -0.00018 -0.00097 0.00088 -0.00066 206 4XZ 0.00001 0.00002 0.00062 -0.00076 0.00048 207 4YZ 0.00005 0.00001 -0.00003 0.00125 0.00027 208 20 H 1S -0.00108 0.00145 -0.00254 0.00697 -0.00207 209 2S -0.00131 0.00101 -0.00680 0.01252 -0.00296 210 21 H 1S 0.00239 -0.00441 0.00158 -0.01347 0.00086 211 2S -0.00355 0.00427 0.01093 0.00664 -0.00207 212 22 H 1S -0.00034 0.00163 0.00256 0.00273 0.00188 213 2S 0.00130 -0.00149 -0.00222 0.00325 -0.00812 214 23 H 1S 0.00760 -0.01898 0.00073 -0.01325 -0.02979 215 2S 0.01127 -0.02306 0.00429 -0.03257 -0.07038 216 24 H 1S 0.00763 -0.01915 -0.02165 0.01599 -0.02142 217 2S 0.00957 -0.02041 -0.03775 0.04238 -0.04014 218 25 H 1S -0.05265 0.10164 0.14579 -0.11089 -0.19389 219 2S -0.00495 0.01997 0.12176 -0.10181 -0.17193 220 26 H 1S -0.05326 0.10143 -0.09307 0.23965 -0.08052 221 2S -0.00296 0.01687 -0.07820 0.21045 -0.06856 222 27 H 1S 0.01202 -0.02761 0.02251 0.04123 -0.01057 223 2S 0.01728 -0.03484 0.04376 0.08270 -0.02766 224 28 C 1S -0.00224 0.00385 -0.00863 0.00190 -0.00013 225 2S 0.00405 -0.00828 0.01704 -0.00564 0.00092 226 2PX 0.00884 -0.01706 0.03216 -0.01691 0.00341 227 2PY -0.00220 0.00115 -0.00907 -0.02813 0.00858 228 2PZ -0.00029 0.00020 -0.00106 0.00904 -0.00480 229 3S 0.01051 -0.01450 0.05132 0.00533 -0.00378 230 3PX 0.00632 -0.01114 0.02680 -0.00291 -0.00161 231 3PY 0.00078 -0.00326 0.00203 -0.03349 0.00951 232 3PZ -0.00030 0.00119 -0.00152 0.00945 -0.00004 233 4XX -0.00020 -0.00013 -0.00034 0.00065 -0.00028 234 4YY 0.00018 -0.00032 0.00112 -0.00137 0.00103 235 4ZZ -0.00039 0.00045 -0.00071 0.00007 -0.00052 236 4XY -0.00004 0.00021 -0.00116 -0.00205 0.00072 237 4XZ -0.00004 0.00006 0.00038 0.00014 -0.00086 238 4YZ -0.00015 0.00021 -0.00042 0.00109 0.00093 239 29 H 1S 0.00301 -0.00691 0.00707 -0.01483 0.00464 240 2S -0.00382 0.00429 -0.01951 -0.00333 0.00444 241 30 H 1S -0.00181 0.00333 -0.00483 0.00244 -0.00358 242 2S -0.00223 0.00412 -0.00743 0.00430 -0.00900 243 31 H 1S -0.00184 0.00249 -0.00593 0.00555 0.00139 244 2S -0.00241 0.00330 -0.00985 0.01078 0.00304 245 32 H 1S -0.00226 0.00381 -0.00786 -0.00511 0.00207 246 2S -0.00030 0.00105 -0.00398 0.00607 -0.00073 247 33 H 1S 0.00243 -0.00442 0.00860 0.00648 0.00257 248 2S 0.00407 -0.00789 0.01865 0.01587 0.00645 249 34 H 1S 0.00201 -0.00437 0.00865 0.00331 -0.00702 250 2S 0.00350 -0.00803 0.01769 0.00860 -0.01736 51 52 53 54 55 51 3S 0.33019 52 3PX -0.01162 0.09287 53 3PY -0.00802 0.00331 0.08603 54 3PZ 0.00761 -0.00503 -0.00143 0.08045 55 4XX -0.00290 -0.00153 -0.00294 0.00133 0.00080 56 4YY -0.00095 -0.00379 0.00577 -0.00272 -0.00025 57 4ZZ -0.00273 0.00573 -0.00174 -0.00144 -0.00003 58 4XY -0.00294 -0.00385 -0.00497 0.00518 0.00048 59 4XZ -0.00263 -0.00070 0.00460 0.00630 0.00003 60 4YZ -0.00007 0.00482 -0.00502 -0.00138 0.00012 61 5 C 1S 0.00695 -0.00533 -0.00092 -0.01044 -0.00135 62 2S 0.00426 0.01985 0.00214 0.03071 0.00187 63 2PX -0.06449 -0.04726 -0.00881 -0.06891 0.00727 64 2PY -0.00355 -0.01064 0.00122 -0.00744 -0.00069 65 2PZ -0.10095 -0.07471 -0.02088 -0.09363 -0.00363 66 3S -0.01719 0.00837 -0.00020 0.03486 0.00351 67 3PX -0.01275 -0.02157 -0.00326 -0.03367 0.00348 68 3PY 0.00782 -0.00336 0.00083 -0.00130 -0.00081 69 3PZ -0.02877 -0.03171 -0.00770 -0.04818 -0.00213 70 4XX 0.00348 -0.00376 0.00032 0.00227 0.00009 71 4YY -0.00487 -0.00172 -0.00096 -0.00291 0.00012 72 4ZZ 0.00341 0.00397 0.00054 -0.00221 -0.00035 73 4XY 0.00332 0.00004 -0.00294 0.00181 0.00034 74 4XZ 0.01158 0.00194 0.00142 0.00416 -0.00006 75 4YZ 0.00335 0.00158 -0.00392 0.00058 -0.00017 76 6 C 1S 0.00825 0.01178 0.00543 0.00162 -0.00163 77 2S -0.01410 -0.01766 -0.00594 -0.00251 0.00296 78 2PX 0.03675 0.00784 0.00953 0.01714 -0.00580 79 2PY 0.01312 0.02318 -0.00831 -0.00191 -0.00370 80 2PZ 0.08358 -0.00108 -0.01870 0.00649 -0.00123 81 3S -0.00825 -0.01529 -0.01475 0.00102 0.00247 82 3PX 0.02315 0.00800 0.00675 0.00884 -0.00230 83 3PY 0.00425 0.00548 -0.00431 -0.00332 -0.00033 84 3PZ 0.06164 0.00603 -0.01361 0.01111 -0.00125 85 4XX 0.00234 0.00155 0.00066 0.00232 -0.00009 86 4YY -0.00104 -0.00023 -0.00023 -0.00024 0.00007 87 4ZZ -0.00067 -0.00013 0.00009 -0.00145 -0.00013 88 4XY 0.00026 0.00043 0.00021 -0.00036 0.00028 89 4XZ 0.00564 0.00323 0.00058 0.00286 -0.00010 90 4YZ 0.00004 0.00078 0.00045 0.00086 0.00000 91 7 C 1S -0.00283 0.00217 -0.00131 -0.00395 0.00054 92 2S 0.00354 -0.00381 0.00292 0.00918 -0.00107 93 2PX 0.00742 0.01466 -0.00981 -0.01104 0.00109 94 2PY 0.01415 0.00559 -0.00142 -0.00170 -0.00030 95 2PZ 0.09354 0.02320 -0.00817 0.03035 -0.00239 96 3S 0.00143 0.00402 0.00067 0.00735 -0.00166 97 3PX 0.01488 0.01304 -0.00430 0.00349 -0.00049 98 3PY 0.00880 0.00778 -0.00167 -0.00034 -0.00034 99 3PZ 0.06617 0.01673 -0.00399 0.02313 -0.00137 100 4XX -0.00164 -0.00097 -0.00009 -0.00086 0.00027 101 4YY 0.00064 0.00074 0.00003 0.00070 -0.00015 102 4ZZ 0.00051 0.00023 -0.00027 -0.00023 0.00002 103 4XY -0.00068 0.00008 -0.00019 -0.00067 0.00014 104 4XZ -0.00322 0.00016 0.00065 -0.00027 0.00003 105 4YZ 0.00229 0.00053 -0.00025 0.00049 -0.00005 106 8 C 1S 0.00073 -0.00054 0.00148 0.00198 -0.00032 107 2S -0.00222 0.00113 -0.00290 -0.00422 0.00063 108 2PX 0.00784 -0.00246 0.00468 0.00935 -0.00092 109 2PY -0.00244 0.00005 0.00182 0.00533 -0.00058 110 2PZ -0.00540 0.00404 0.00185 -0.00347 0.00029 111 3S -0.00806 -0.00919 -0.00287 -0.00981 0.00222 112 3PX 0.00208 0.00379 0.00016 0.00200 -0.00035 113 3PY 0.00162 0.00559 0.00089 0.00511 -0.00097 114 3PZ -0.00492 0.00172 0.00163 -0.00162 0.00031 115 4XX -0.00127 -0.00055 0.00041 -0.00040 -0.00002 116 4YY -0.00034 -0.00006 -0.00007 0.00021 -0.00000 117 4ZZ 0.00180 0.00053 -0.00014 0.00066 -0.00005 118 4XY -0.00113 -0.00018 -0.00007 -0.00039 0.00003 119 4XZ -0.00497 -0.00138 0.00057 -0.00159 0.00011 120 4YZ -0.00007 -0.00015 0.00007 -0.00004 0.00000 121 9 C 1S -0.00149 0.00080 -0.00073 -0.00104 0.00009 122 2S 0.00247 -0.00153 0.00140 0.00179 -0.00014 123 2PX -0.01445 -0.00153 0.00040 -0.00569 0.00035 124 2PY -0.00549 -0.00281 0.00160 -0.00259 0.00015 125 2PZ -0.05086 -0.01294 0.00693 -0.01766 0.00098 126 3S 0.00482 0.00124 0.00340 0.00577 -0.00106 127 3PX -0.01117 -0.00408 0.00035 -0.00572 0.00070 128 3PY -0.00617 -0.00442 0.00177 -0.00155 0.00013 129 3PZ -0.04657 -0.01209 0.00610 -0.01637 0.00081 130 4XX -0.00003 0.00001 -0.00016 -0.00030 0.00003 131 4YY -0.00015 0.00009 0.00004 0.00015 -0.00002 132 4ZZ -0.00005 0.00002 -0.00001 -0.00004 0.00001 133 4XY -0.00016 -0.00001 -0.00004 -0.00028 0.00002 134 4XZ -0.00003 -0.00020 -0.00006 0.00003 -0.00001 135 4YZ 0.00002 0.00012 0.00009 0.00004 -0.00000 136 10 C 1S -0.00009 -0.00005 -0.00009 -0.00039 0.00004 137 2S -0.00058 0.00015 0.00030 0.00058 -0.00010 138 2PX -0.00011 -0.00067 -0.00027 -0.00098 0.00013 139 2PY -0.00264 0.00033 -0.00083 -0.00041 -0.00000 140 2PZ -0.01040 -0.00561 -0.00040 -0.00379 0.00032 141 3S -0.00062 -0.00165 0.00094 0.00211 -0.00014 142 3PX -0.00009 0.00064 0.00026 0.00062 -0.00019 143 3PY -0.00124 -0.00078 -0.00061 -0.00031 0.00009 144 3PZ -0.00451 -0.00283 -0.00056 -0.00195 0.00019 145 4XX -0.00013 0.00011 -0.00017 -0.00039 0.00003 146 4YY -0.00082 -0.00043 0.00037 -0.00002 -0.00001 147 4ZZ 0.00109 0.00026 -0.00021 0.00036 -0.00002 148 4XY -0.00085 -0.00018 0.00011 -0.00033 0.00002 149 4XZ -0.00056 -0.00008 0.00020 -0.00015 -0.00000 150 4YZ -0.00309 -0.00066 0.00045 -0.00116 0.00006 151 11 C 1S -0.00049 -0.00013 0.00020 0.00014 -0.00003 152 2S 0.00050 0.00027 -0.00030 -0.00042 0.00004 153 2PX -0.00054 -0.00025 0.00062 0.00131 -0.00015 154 2PY 0.00123 0.00004 0.00038 0.00048 -0.00004 155 2PZ 0.00458 0.00162 -0.00045 0.00142 -0.00009 156 3S 0.00064 0.00035 -0.00139 -0.00223 0.00029 157 3PX 0.00005 0.00013 0.00058 0.00141 -0.00018 158 3PY 0.00078 0.00021 0.00005 0.00015 -0.00002 159 3PZ 0.00427 0.00110 -0.00056 0.00131 -0.00006 160 4XX 0.00025 0.00007 0.00002 0.00010 -0.00001 161 4YY -0.00013 -0.00000 -0.00002 -0.00006 0.00001 162 4ZZ -0.00014 -0.00009 0.00002 -0.00003 0.00000 163 4XY 0.00009 -0.00002 0.00006 0.00008 -0.00001 164 4XZ 0.00064 0.00029 -0.00002 0.00024 -0.00002 165 4YZ -0.00024 -0.00006 0.00004 -0.00009 0.00000 166 12 H 1S -0.00042 0.00024 -0.00042 -0.00032 0.00003 167 2S -0.00064 0.00004 -0.00010 0.00020 -0.00002 168 13 H 1S -0.00306 -0.00133 0.00034 -0.00090 0.00005 169 2S -0.00038 -0.00102 0.00007 0.00032 -0.00001 170 14 H 1S 0.00298 0.00102 0.00015 0.00138 -0.00011 171 2S 0.00018 0.00029 0.00080 0.00064 -0.00009 172 15 O 1S -0.00022 0.00001 0.00036 0.00029 -0.00006 173 2S 0.00061 -0.00008 -0.00063 -0.00054 0.00012 174 2PX 0.00547 -0.00195 0.00259 0.00616 -0.00047 175 2PY 0.00245 0.00191 -0.00289 -0.00153 0.00018 176 2PZ 0.03018 0.00523 -0.00676 0.01070 -0.00034 177 3S 0.00107 0.00080 -0.00137 -0.00072 0.00013 178 3PX 0.00447 -0.00075 0.00147 0.00440 -0.00034 179 3PY 0.00242 0.00186 -0.00227 -0.00104 0.00012 180 3PZ 0.02426 0.00467 -0.00485 0.00874 -0.00031 181 4XX 0.00027 -0.00012 0.00012 0.00026 -0.00002 182 4YY 0.00005 0.00011 -0.00016 -0.00010 0.00001 183 4ZZ -0.00035 -0.00001 0.00013 -0.00016 0.00000 184 4XY 0.00018 -0.00002 -0.00002 0.00010 -0.00001 185 4XZ 0.00057 0.00004 -0.00022 0.00016 0.00000 186 4YZ 0.00066 0.00002 -0.00018 0.00025 -0.00000 187 16 H 1S -0.00110 -0.00033 -0.00009 -0.00151 0.00014 188 2S -0.00201 0.00071 -0.00106 -0.00289 0.00026 189 17 H 1S -0.00200 -0.00038 -0.00014 0.00175 -0.00005 190 2S -0.00223 -0.00212 -0.00008 0.00171 0.00002 191 18 H 1S 0.00104 0.00009 0.00136 0.00650 -0.00079 192 2S -0.00095 0.00434 -0.00002 0.00140 -0.00062 193 19 C 1S 0.00233 -0.00243 0.00355 -0.00131 -0.00001 194 2S -0.00798 0.00337 -0.00686 0.00068 -0.00006 195 2PX 0.01908 -0.00718 0.00983 -0.00786 -0.00006 196 2PY 0.01438 -0.00895 0.00808 0.00685 0.00072 197 2PZ 0.01670 -0.00920 0.00165 0.00300 -0.00008 198 3S -0.00647 0.00643 -0.00840 0.00681 -0.00059 199 3PX 0.00966 -0.00151 0.00452 -0.00575 -0.00021 200 3PY 0.00500 -0.00588 -0.00201 0.00427 0.00118 201 3PZ 0.01556 -0.00093 0.00544 0.00442 -0.00031 202 4XX 0.00095 0.00015 0.00057 0.00028 -0.00005 203 4YY -0.00069 -0.00043 0.00001 -0.00055 0.00010 204 4ZZ 0.00021 0.00012 -0.00045 0.00034 -0.00001 205 4XY 0.00010 -0.00057 0.00059 -0.00057 0.00013 206 4XZ 0.00043 0.00117 -0.00034 0.00044 -0.00006 207 4YZ -0.00262 -0.00034 0.00099 -0.00014 0.00004 208 20 H 1S 0.00908 -0.00571 0.00546 -0.00271 0.00048 209 2S 0.00855 -0.00706 0.00772 -0.00301 0.00064 210 21 H 1S -0.00858 0.00975 -0.00490 0.00409 -0.00039 211 2S 0.01198 0.01260 0.00286 0.00406 -0.00124 212 22 H 1S -0.00343 -0.00492 -0.00068 0.00398 0.00013 213 2S -0.01526 -0.00784 0.00214 -0.00299 0.00007 214 23 H 1S -0.03384 -0.00995 -0.00919 -0.02049 -0.00362 215 2S -0.04009 -0.00360 -0.01270 -0.03496 -0.00332 216 24 H 1S -0.03493 -0.01328 0.00440 -0.02071 0.00126 217 2S -0.03162 -0.01392 0.01747 -0.02449 -0.00045 218 25 H 1S 0.09259 0.07147 -0.04633 -0.08697 -0.00182 219 2S 0.00635 0.05918 -0.04069 -0.07776 -0.00099 220 26 H 1S 0.09480 -0.03678 0.10777 -0.03621 -0.00606 221 2S 0.00504 -0.02869 0.09233 -0.03098 -0.00523 222 27 H 1S -0.06203 0.02838 0.02552 -0.00615 -0.00425 223 2S -0.07397 0.03747 0.04158 -0.01419 -0.00538 224 28 C 1S 0.01316 -0.00542 0.00256 -0.00110 0.00001 225 2S -0.01920 0.00839 -0.00578 0.00270 -0.00041 226 2PX -0.05712 0.01712 -0.01954 0.00963 -0.00009 227 2PY 0.04476 -0.02533 -0.02733 0.01285 0.00192 228 2PZ -0.00174 0.00230 0.01145 0.00361 -0.00046 229 3S -0.04598 0.03158 0.00374 -0.00072 -0.00165 230 3PX -0.03524 0.01491 -0.00562 0.00282 -0.00022 231 3PY 0.02483 -0.01177 -0.02370 0.00927 0.00184 232 3PZ -0.00134 0.00220 0.00885 0.00252 -0.00057 233 4XX 0.00024 -0.00040 0.00047 -0.00013 0.00016 234 4YY -0.00126 0.00038 -0.00145 0.00079 -0.00002 235 4ZZ 0.00233 -0.00039 0.00051 -0.00047 -0.00001 236 4XY 0.00131 -0.00127 -0.00225 0.00068 -0.00012 237 4XZ -0.00041 0.00099 0.00065 -0.00106 -0.00001 238 4YZ 0.00107 -0.00074 0.00062 0.00038 0.00006 239 29 H 1S -0.00744 -0.00551 -0.02222 0.00974 0.00017 240 2S 0.00923 -0.01684 -0.01532 0.00793 -0.00039 241 30 H 1S 0.01396 -0.00140 0.00408 -0.00790 0.00013 242 2S 0.01424 -0.00029 0.00790 -0.01033 0.00025 243 31 H 1S 0.01962 -0.00781 0.00572 0.00365 0.00038 244 2S 0.01868 -0.01144 0.00727 0.00359 0.00085 245 32 H 1S 0.01433 -0.00600 -0.00779 0.00282 -0.00023 246 2S 0.00048 -0.00013 0.00140 0.00024 -0.00070 247 33 H 1S -0.02119 0.00443 0.00614 -0.00215 0.00061 248 2S -0.02443 0.00709 0.00998 0.00028 0.00083 249 34 H 1S -0.01855 0.01110 0.01150 -0.00313 0.00020 250 2S -0.02227 0.01772 0.01642 -0.00860 0.00016 56 57 58 59 60 56 4YY 0.00119 57 4ZZ -0.00030 0.00097 58 4XY -0.00027 -0.00031 0.00113 59 4XZ 0.00018 -0.00026 0.00018 0.00143 60 4YZ -0.00063 0.00053 0.00015 -0.00030 0.00097 61 5 C 1S 0.00192 -0.00310 -0.00087 -0.00511 -0.00118 62 2S -0.00446 0.00468 0.00179 0.00951 0.00229 63 2PX 0.00458 -0.00802 0.00014 -0.00341 -0.00475 64 2PY 0.00184 -0.00061 0.00690 -0.00410 0.00802 65 2PZ 0.00524 0.00494 -0.00312 -0.00849 -0.00104 66 3S -0.00435 0.00274 0.00374 0.01318 0.00356 67 3PX 0.00189 -0.00376 -0.00017 -0.00177 -0.00169 68 3PY 0.00125 -0.00048 0.00314 -0.00106 0.00376 69 3PZ 0.00278 0.00229 -0.00223 -0.00472 -0.00082 70 4XX 0.00016 -0.00039 0.00035 -0.00009 -0.00018 71 4YY 0.00017 -0.00005 -0.00024 -0.00005 -0.00041 72 4ZZ -0.00011 0.00047 -0.00035 -0.00032 0.00044 73 4XY -0.00018 -0.00037 0.00052 -0.00024 0.00019 74 4XZ -0.00007 -0.00031 -0.00021 0.00040 -0.00037 75 4YZ -0.00039 0.00044 0.00027 -0.00043 0.00067 76 6 C 1S -0.00059 0.00072 -0.00140 0.00017 -0.00006 77 2S 0.00080 -0.00206 0.00288 0.00001 0.00021 78 2PX -0.00047 0.00465 -0.00518 -0.00154 -0.00117 79 2PY -0.00015 0.00272 -0.00336 -0.00084 -0.00114 80 2PZ 0.00011 -0.00013 -0.00055 -0.00094 0.00039 81 3S 0.00004 -0.00200 0.00316 -0.00252 -0.00010 82 3PX -0.00009 0.00154 -0.00206 0.00080 -0.00018 83 3PY -0.00019 0.00054 -0.00061 0.00037 0.00051 84 3PZ -0.00045 0.00026 -0.00052 -0.00075 0.00020 85 4XX -0.00013 0.00015 0.00015 0.00023 0.00026 86 4YY 0.00001 -0.00005 -0.00017 0.00011 -0.00029 87 4ZZ 0.00005 0.00010 -0.00014 -0.00016 -0.00001 88 4XY -0.00009 -0.00013 0.00010 0.00031 0.00000 89 4XZ -0.00011 -0.00005 -0.00013 0.00020 -0.00003 90 4YZ -0.00008 0.00002 0.00002 0.00002 0.00009 91 7 C 1S 0.00006 -0.00040 0.00011 0.00030 -0.00015 92 2S -0.00005 0.00089 -0.00019 -0.00043 0.00032 93 2PX -0.00029 -0.00155 0.00037 0.00103 -0.00012 94 2PY -0.00029 0.00024 -0.00069 0.00038 -0.00023 95 2PZ -0.00108 0.00084 -0.00133 0.00083 0.00057 96 3S -0.00041 0.00196 -0.00002 -0.00103 0.00177 97 3PX -0.00053 0.00017 -0.00006 0.00017 0.00024 98 3PY -0.00035 0.00055 -0.00055 0.00022 0.00003 99 3PZ -0.00064 0.00007 -0.00081 0.00127 0.00015 100 4XX 0.00003 -0.00021 0.00018 0.00006 -0.00000 101 4YY -0.00002 0.00011 -0.00010 0.00001 -0.00001 102 4ZZ -0.00000 -0.00002 0.00000 0.00001 0.00001 103 4XY -0.00000 -0.00014 0.00008 0.00006 -0.00000 104 4XZ -0.00002 0.00003 0.00003 0.00002 0.00002 105 4YZ -0.00003 0.00002 -0.00003 0.00000 0.00003 106 8 C 1S -0.00001 0.00031 -0.00015 -0.00010 0.00005 107 2S 0.00000 -0.00059 0.00033 0.00020 -0.00008 108 2PX -0.00000 0.00115 -0.00049 -0.00031 0.00013 109 2PY -0.00004 0.00044 -0.00015 -0.00023 0.00018 110 2PZ -0.00024 -0.00038 0.00024 0.00041 0.00015 111 3S 0.00065 -0.00237 0.00105 0.00061 -0.00065 112 3PX -0.00013 0.00058 0.00003 -0.00027 0.00066 113 3PY -0.00031 0.00092 -0.00035 -0.00024 0.00033 114 3PZ -0.00020 -0.00026 0.00019 0.00031 0.00008 115 4XX 0.00002 0.00004 -0.00002 -0.00003 -0.00001 116 4YY 0.00001 -0.00001 0.00002 -0.00002 0.00001 117 4ZZ -0.00003 0.00003 -0.00003 0.00001 0.00002 118 4XY 0.00001 -0.00003 0.00003 -0.00001 -0.00001 119 4XZ 0.00006 -0.00004 0.00007 -0.00007 -0.00003 120 4YZ 0.00001 0.00001 -0.00001 -0.00000 -0.00001 121 9 C 1S -0.00001 -0.00013 0.00005 0.00001 -0.00001 122 2S 0.00004 0.00022 -0.00011 -0.00003 -0.00000 123 2PX 0.00008 -0.00045 0.00034 -0.00005 0.00003 124 2PY 0.00011 0.00010 0.00008 -0.00004 -0.00001 125 2PZ 0.00053 -0.00029 0.00061 -0.00069 -0.00021 126 3S -0.00023 0.00101 -0.00063 -0.00011 -0.00006 127 3PX 0.00027 -0.00067 0.00049 -0.00006 0.00003 128 3PY 0.00015 0.00002 -0.00006 0.00001 -0.00028 129 3PZ 0.00054 -0.00021 0.00051 -0.00070 -0.00023 130 4XX 0.00000 -0.00003 0.00002 0.00001 -0.00001 131 4YY -0.00000 0.00001 -0.00001 -0.00001 0.00001 132 4ZZ -0.00000 -0.00001 0.00001 0.00000 0.00000 133 4XY 0.00000 -0.00003 0.00001 0.00001 -0.00000 134 4XZ 0.00001 0.00001 -0.00001 -0.00002 -0.00001 135 4YZ -0.00001 -0.00000 -0.00000 0.00001 0.00000 136 10 C 1S 0.00001 -0.00002 0.00001 0.00002 -0.00001 137 2S -0.00002 0.00005 -0.00004 -0.00005 0.00001 138 2PX 0.00003 -0.00007 0.00009 -0.00001 0.00002 139 2PY 0.00001 -0.00001 0.00000 -0.00010 0.00000 140 2PZ 0.00021 -0.00004 0.00020 -0.00027 -0.00013 141 3S 0.00005 0.00008 -0.00012 -0.00003 -0.00011 142 3PX -0.00008 0.00018 -0.00009 -0.00008 0.00002 143 3PY 0.00002 -0.00001 -0.00003 0.00001 -0.00011 144 3PZ 0.00011 -0.00004 0.00012 -0.00016 -0.00004 145 4XX 0.00000 -0.00001 0.00001 0.00001 -0.00001 146 4YY 0.00001 -0.00000 0.00001 -0.00002 -0.00000 147 4ZZ -0.00001 0.00001 -0.00001 0.00001 0.00001 148 4XY 0.00001 -0.00002 0.00002 -0.00001 -0.00000 149 4XZ 0.00000 0.00000 -0.00000 -0.00001 -0.00000 150 4YZ 0.00003 -0.00002 0.00003 -0.00004 -0.00001 151 11 C 1S 0.00000 0.00001 -0.00001 -0.00001 -0.00000 152 2S -0.00000 -0.00001 0.00000 0.00001 -0.00000 153 2PX -0.00001 0.00006 -0.00006 -0.00004 0.00000 154 2PY -0.00001 0.00003 -0.00003 0.00001 0.00001 155 2PZ -0.00005 0.00002 -0.00007 0.00008 0.00003 156 3S 0.00005 -0.00014 0.00009 0.00010 -0.00003 157 3PX -0.00003 0.00010 -0.00008 -0.00005 0.00002 158 3PY -0.00001 -0.00000 -0.00000 0.00001 -0.00000 159 3PZ -0.00003 0.00001 -0.00005 0.00007 0.00001 160 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 161 4YY 0.00000 -0.00001 0.00000 -0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 -0.00001 -0.00000 163 4XY -0.00000 0.00001 -0.00001 0.00000 -0.00000 164 4XZ -0.00001 0.00000 -0.00001 0.00001 0.00001 165 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 166 12 H 1S 0.00000 -0.00003 0.00002 0.00000 -0.00000 167 2S -0.00000 -0.00002 0.00001 -0.00001 -0.00000 168 13 H 1S 0.00004 0.00000 0.00004 -0.00007 -0.00003 169 2S 0.00003 0.00002 0.00001 -0.00004 -0.00002 170 14 H 1S -0.00005 0.00005 -0.00007 0.00005 0.00002 171 2S -0.00002 0.00003 -0.00004 0.00001 0.00002 172 15 O 1S -0.00002 0.00002 -0.00003 -0.00002 -0.00000 173 2S 0.00002 -0.00006 0.00005 0.00004 -0.00001 174 2PX -0.00005 0.00023 -0.00012 -0.00004 0.00006 175 2PY -0.00003 -0.00007 -0.00000 0.00012 -0.00007 176 2PZ -0.00027 0.00016 -0.00017 0.00037 0.00009 177 3S -0.00003 -0.00005 0.00007 0.00005 0.00001 178 3PX -0.00007 0.00018 -0.00012 -0.00001 0.00003 179 3PY -0.00005 -0.00005 0.00001 0.00010 -0.00002 180 3PZ -0.00023 0.00012 -0.00016 0.00033 0.00009 181 4XX -0.00000 0.00001 -0.00001 -0.00000 0.00000 182 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 183 4ZZ 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 184 4XY -0.00000 0.00001 -0.00001 0.00000 -0.00000 185 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 186 4YZ -0.00000 0.00000 -0.00000 0.00001 0.00000 187 16 H 1S 0.00002 -0.00016 0.00011 0.00008 0.00002 188 2S -0.00001 -0.00029 0.00019 0.00009 0.00000 189 17 H 1S 0.00002 -0.00005 0.00011 -0.00010 0.00009 190 2S 0.00005 -0.00008 0.00013 -0.00017 0.00005 191 18 H 1S 0.00004 0.00058 -0.00022 -0.00023 0.00015 192 2S -0.00010 0.00076 -0.00074 -0.00000 -0.00016 193 19 C 1S -0.00006 -0.00014 0.00001 0.00011 0.00018 194 2S -0.00001 0.00024 -0.00026 -0.00027 -0.00049 195 2PX -0.00006 -0.00011 -0.00094 0.00065 -0.00040 196 2PY -0.00054 -0.00056 0.00102 0.00043 0.00138 197 2PZ 0.00009 -0.00014 -0.00136 0.00066 -0.00091 198 3S -0.00044 0.00068 -0.00111 0.00007 -0.00165 199 3PX -0.00009 0.00026 -0.00095 0.00001 -0.00038 200 3PY -0.00071 -0.00061 0.00141 -0.00000 0.00123 201 3PZ 0.00023 -0.00020 -0.00105 0.00083 -0.00072 202 4XX -0.00001 0.00004 -0.00002 0.00003 0.00004 203 4YY 0.00003 -0.00008 0.00008 0.00002 0.00000 204 4ZZ -0.00002 0.00002 -0.00001 -0.00004 0.00003 205 4XY 0.00003 -0.00015 0.00014 0.00006 0.00007 206 4XZ -0.00000 0.00002 0.00001 -0.00002 0.00001 207 4YZ 0.00002 -0.00002 -0.00004 0.00007 -0.00007 208 20 H 1S -0.00011 -0.00047 0.00032 0.00035 0.00035 209 2S 0.00027 -0.00096 0.00091 0.00050 0.00063 210 21 H 1S 0.00009 0.00031 0.00051 -0.00058 0.00034 211 2S 0.00051 0.00049 -0.00064 -0.00031 0.00003 212 22 H 1S -0.00005 0.00007 -0.00041 0.00015 -0.00028 213 2S 0.00016 0.00037 -0.00035 -0.00020 0.00003 214 23 H 1S -0.00058 0.00730 0.00071 -0.00166 0.00513 215 2S -0.00059 0.00664 -0.00045 -0.00584 0.00500 216 24 H 1S 0.00050 0.00105 -0.00470 0.00397 -0.00586 217 2S 0.00293 -0.00041 -0.00536 0.00203 -0.00672 218 25 H 1S -0.00452 0.00674 -0.00663 -0.01200 0.00869 219 2S -0.00440 0.00735 -0.00504 -0.01152 0.00790 220 26 H 1S 0.01153 -0.00536 -0.00901 0.00322 -0.00905 221 2S 0.01098 -0.00417 -0.00761 0.00389 -0.00881 222 27 H 1S 0.00772 -0.00056 0.00136 0.00062 -0.00321 223 2S 0.00776 0.00037 -0.00220 0.00181 -0.00327 224 28 C 1S -0.00009 -0.00033 0.00018 -0.00003 -0.00023 225 2S 0.00002 0.00040 -0.00024 0.00005 0.00044 226 2PX -0.00069 0.00050 -0.00105 0.00022 0.00125 227 2PY -0.00241 -0.00036 0.00125 -0.00032 0.00120 228 2PZ 0.00102 -0.00054 0.00019 0.00136 0.00033 229 3S 0.00092 0.00116 -0.00098 0.00033 0.00063 230 3PX -0.00030 0.00060 -0.00085 0.00007 0.00079 231 3PY -0.00273 0.00035 0.00115 -0.00067 0.00154 232 3PZ 0.00069 -0.00016 -0.00016 0.00026 -0.00033 233 4XX -0.00010 -0.00001 -0.00001 -0.00006 -0.00001 234 4YY -0.00000 -0.00001 0.00004 0.00018 0.00012 235 4ZZ -0.00001 0.00004 0.00001 -0.00014 -0.00006 236 4XY 0.00002 -0.00002 0.00001 -0.00006 -0.00003 237 4XZ -0.00008 0.00013 -0.00013 -0.00038 -0.00014 238 4YZ 0.00006 -0.00010 0.00015 0.00035 0.00009 239 29 H 1S -0.00070 -0.00008 -0.00030 0.00001 0.00059 240 2S 0.00049 -0.00089 -0.00025 0.00020 -0.00057 241 30 H 1S -0.00040 0.00057 -0.00023 -0.00190 -0.00091 242 2S -0.00080 0.00093 -0.00083 -0.00341 -0.00140 243 31 H 1S 0.00031 -0.00067 0.00099 0.00170 0.00054 244 2S 0.00047 -0.00118 0.00135 0.00314 0.00089 245 32 H 1S -0.00003 -0.00030 0.00016 -0.00003 -0.00009 246 2S 0.00091 -0.00033 -0.00003 0.00019 -0.00050 247 33 H 1S 0.00018 -0.00042 0.00058 0.00199 0.00087 248 2S 0.00042 -0.00056 0.00091 0.00370 0.00144 249 34 H 1S -0.00059 0.00071 -0.00082 -0.00203 -0.00058 250 2S -0.00079 0.00145 -0.00167 -0.00365 -0.00099 61 62 63 64 65 61 5 C 1S 2.05172 62 2S -0.05392 0.30518 63 2PX 0.00039 0.00003 0.39446 64 2PY 0.00214 -0.00330 -0.01413 0.40305 65 2PZ -0.00293 0.00130 -0.00637 0.00042 0.38697 66 3S -0.19846 0.30251 0.01946 0.00870 -0.01583 67 3PX -0.00193 0.00176 0.18088 -0.00044 -0.00533 68 3PY -0.00123 -0.00020 -0.01409 0.18398 -0.00193 69 3PZ 0.00226 0.00017 0.00558 0.00048 0.17693 70 4XX -0.01591 -0.00463 0.00345 0.00774 -0.00361 71 4YY -0.01750 -0.00095 0.00832 -0.01382 0.00738 72 4ZZ -0.01648 -0.00341 -0.01250 0.00358 0.00225 73 4XY 0.00142 -0.00304 0.00863 0.01042 -0.01136 74 4XZ 0.00095 -0.00199 -0.00099 -0.01141 -0.01370 75 4YZ 0.00002 -0.00002 -0.01166 0.01176 0.00420 76 6 C 1S 0.01242 -0.02202 -0.05551 -0.04033 0.01723 77 2S -0.02345 0.04029 0.11664 0.08361 -0.03778 78 2PX 0.05229 -0.10533 -0.20243 -0.14610 0.07000 79 2PY 0.03762 -0.07318 -0.14753 -0.09264 0.04813 80 2PZ -0.01253 0.02577 0.06452 0.04733 0.02790 81 3S 0.00747 -0.00295 0.09166 0.08151 -0.03821 82 3PX 0.00580 -0.02249 -0.07620 -0.04720 0.01703 83 3PY -0.00313 -0.00292 -0.01456 -0.01592 0.01048 84 3PZ 0.00053 0.00264 0.01636 0.01565 0.00661 85 4XX -0.00327 0.00559 -0.00500 0.00741 -0.00274 86 4YY -0.00005 -0.00055 0.00157 -0.01130 0.00029 87 4ZZ 0.00110 -0.00240 -0.00375 -0.00225 0.00510 88 4XY -0.00532 0.01026 0.01032 0.00180 -0.00408 89 4XZ 0.00176 -0.00294 -0.00249 -0.00392 -0.00860 90 4YZ 0.00119 -0.00208 -0.00369 0.00096 -0.00410 91 7 C 1S -0.00470 0.01034 0.01872 0.00021 -0.00294 92 2S 0.00903 -0.02161 -0.04073 0.00017 0.00491 93 2PX -0.01312 0.03184 0.04952 0.01308 -0.01572 94 2PY -0.00367 0.00811 0.00239 -0.01986 0.00201 95 2PZ 0.00344 -0.00591 -0.01615 -0.00159 -0.02649 96 3S 0.01037 -0.02373 -0.07113 0.02398 0.01490 97 3PX -0.00047 -0.00153 -0.02008 0.00772 -0.01071 98 3PY -0.00386 0.00713 -0.00806 -0.01239 0.00221 99 3PZ 0.00033 0.00085 0.00029 -0.00421 -0.02858 100 4XX -0.00202 0.00392 0.00973 0.00373 -0.00295 101 4YY 0.00135 -0.00257 -0.00611 -0.00277 0.00101 102 4ZZ -0.00056 0.00081 0.00110 0.00045 0.00027 103 4XY -0.00150 0.00284 0.00562 0.00171 -0.00160 104 4XZ 0.00048 -0.00097 -0.00312 -0.00111 -0.00097 105 4YZ -0.00002 0.00006 0.00004 0.00031 -0.00058 106 8 C 1S 0.00229 -0.00567 -0.01107 -0.00238 0.00221 107 2S -0.00529 0.01177 0.02216 0.00583 -0.00477 108 2PX 0.00970 -0.01964 -0.04118 -0.01310 0.00682 109 2PY 0.00467 -0.01190 -0.01853 -0.00350 0.00061 110 2PZ -0.00287 0.00605 0.00753 0.00218 -0.01276 111 3S -0.01367 0.03118 0.09763 0.01562 -0.01653 112 3PX 0.00032 -0.00612 -0.01968 0.01057 -0.00078 113 3PY 0.00632 -0.01404 -0.04210 -0.00525 0.00363 114 3PZ -0.00118 0.00389 0.00666 -0.00106 -0.01051 115 4XX 0.00036 -0.00080 -0.00173 -0.00121 0.00122 116 4YY 0.00019 -0.00052 -0.00005 0.00052 -0.00017 117 4ZZ 0.00006 -0.00033 -0.00079 0.00003 -0.00057 118 4XY 0.00001 0.00015 0.00060 0.00038 0.00010 119 4XZ -0.00008 -0.00003 0.00059 0.00034 0.00162 120 4YZ -0.00004 -0.00000 -0.00011 -0.00015 0.00030 121 9 C 1S -0.00070 0.00116 0.00366 0.00184 -0.00110 122 2S 0.00128 -0.00246 -0.00613 -0.00351 0.00200 123 2PX -0.00276 0.00399 0.01254 0.00746 -0.00115 124 2PY 0.00024 -0.00020 -0.00374 -0.00139 0.00357 125 2PZ 0.00043 -0.00178 0.00195 0.00035 0.01475 126 3S 0.00781 -0.01320 -0.04264 -0.01765 0.00964 127 3PX -0.00453 0.00705 0.02610 0.01209 -0.00294 128 3PY 0.00183 -0.00164 -0.00081 -0.00949 0.00477 129 3PZ 0.00050 -0.00220 -0.00023 0.00059 0.01686 130 4XX -0.00022 0.00064 0.00105 0.00029 -0.00004 131 4YY 0.00012 -0.00038 -0.00064 -0.00002 -0.00002 132 4ZZ -0.00009 0.00010 0.00040 0.00016 -0.00020 133 4XY -0.00028 0.00049 0.00106 0.00047 -0.00020 134 4XZ 0.00010 -0.00023 -0.00018 -0.00005 0.00055 135 4YZ 0.00000 0.00001 -0.00009 -0.00008 -0.00026 136 10 C 1S -0.00026 0.00052 0.00086 0.00034 -0.00013 137 2S 0.00046 -0.00127 -0.00189 -0.00033 0.00027 138 2PX -0.00024 0.00100 0.00132 0.00096 0.00088 139 2PY 0.00057 -0.00181 -0.00131 -0.00023 0.00092 140 2PZ 0.00007 -0.00035 0.00174 0.00045 0.00669 141 3S 0.00198 -0.00392 -0.00227 -0.00591 0.00119 142 3PX 0.00089 -0.00237 -0.00820 -0.00227 0.00167 143 3PY 0.00034 -0.00013 0.00154 -0.00404 0.00087 144 3PZ -0.00008 0.00018 0.00211 0.00142 0.00316 145 4XX -0.00017 0.00030 0.00049 0.00002 0.00002 146 4YY 0.00014 -0.00026 -0.00005 0.00007 0.00027 147 4ZZ -0.00003 0.00004 -0.00013 0.00001 -0.00033 148 4XY -0.00008 0.00017 0.00048 0.00031 0.00010 149 4XZ 0.00004 -0.00011 -0.00013 -0.00002 0.00021 150 4YZ -0.00001 -0.00007 0.00016 0.00003 0.00094 151 11 C 1S 0.00005 -0.00034 -0.00017 0.00009 -0.00003 152 2S -0.00018 0.00037 0.00018 -0.00020 0.00006 153 2PX 0.00055 -0.00157 -0.00185 -0.00036 -0.00014 154 2PY 0.00011 -0.00024 -0.00065 -0.00030 -0.00007 155 2PZ -0.00013 0.00041 -0.00004 -0.00005 -0.00181 156 3S -0.00110 0.00353 0.00595 0.00121 -0.00040 157 3PX 0.00066 -0.00210 -0.00375 -0.00075 0.00015 158 3PY 0.00009 0.00011 -0.00023 0.00020 -0.00008 159 3PZ -0.00016 0.00044 0.00046 -0.00006 -0.00123 160 4XX 0.00001 0.00001 -0.00005 0.00001 -0.00011 161 4YY -0.00005 0.00004 0.00021 0.00010 -0.00004 162 4ZZ -0.00000 -0.00006 -0.00007 -0.00002 0.00011 163 4XY 0.00002 -0.00004 -0.00012 -0.00012 -0.00000 164 4XZ -0.00001 0.00002 -0.00010 -0.00002 -0.00037 165 4YZ 0.00000 -0.00002 -0.00001 0.00001 0.00011 166 12 H 1S -0.00018 0.00031 0.00077 0.00034 -0.00022 167 2S 0.00015 -0.00031 0.00012 0.00031 -0.00023 168 13 H 1S 0.00016 -0.00048 -0.00029 -0.00016 0.00161 169 2S 0.00023 -0.00060 -0.00038 -0.00024 0.00096 170 14 H 1S 0.00012 -0.00032 -0.00104 -0.00041 -0.00130 171 2S 0.00021 -0.00054 -0.00090 -0.00032 -0.00075 172 15 O 1S 0.00021 -0.00055 -0.00083 -0.00022 0.00015 173 2S -0.00074 0.00161 0.00275 0.00028 -0.00039 174 2PX 0.00174 -0.00350 -0.00586 -0.00059 -0.00063 175 2PY -0.00152 0.00289 0.00430 0.00008 -0.00160 176 2PZ -0.00009 0.00098 -0.00184 -0.00071 -0.00802 177 3S -0.00021 0.00158 0.00046 0.00013 -0.00034 178 3PX 0.00105 -0.00229 -0.00466 -0.00206 -0.00058 179 3PY -0.00108 0.00229 0.00251 0.00078 -0.00149 180 3PZ -0.00007 0.00075 -0.00152 -0.00051 -0.00719 181 4XX 0.00000 -0.00014 -0.00023 -0.00021 0.00004 182 4YY -0.00017 0.00014 0.00022 -0.00012 -0.00005 183 4ZZ -0.00015 0.00006 0.00018 -0.00019 0.00004 184 4XY -0.00005 0.00005 -0.00000 -0.00017 0.00000 185 4XZ -0.00002 0.00005 0.00007 0.00002 -0.00005 186 4YZ 0.00001 -0.00001 -0.00004 0.00000 -0.00010 187 16 H 1S -0.00176 0.00320 0.00601 0.00303 -0.00138 188 2S -0.00275 0.00540 0.00989 0.00548 -0.00257 189 17 H 1S 0.00060 -0.00227 0.00042 0.00419 -0.00172 190 2S 0.00123 -0.00347 0.00325 0.00391 -0.00131 191 18 H 1S 0.00814 -0.01767 -0.03262 -0.00100 0.00360 192 2S 0.00409 -0.00995 -0.02958 -0.02077 0.00786 193 19 C 1S -0.00431 0.00717 0.00674 0.01442 -0.00171 194 2S 0.00718 -0.01656 -0.01272 -0.03116 0.00408 195 2PX -0.00490 0.01193 0.00090 0.00787 0.00116 196 2PY -0.01437 0.03124 0.03678 0.04553 -0.01556 197 2PZ 0.00391 -0.00924 -0.00330 -0.01656 -0.01628 198 3S 0.02073 -0.03279 -0.04558 -0.08609 0.00848 199 3PX -0.00193 0.00312 -0.00196 -0.00889 0.00527 200 3PY -0.01093 0.02015 0.03786 0.03769 -0.01785 201 3PZ 0.00273 -0.00494 -0.00360 -0.01215 -0.01761 202 4XX -0.00049 0.00073 -0.00115 0.00058 0.00044 203 4YY -0.00082 0.00116 0.00301 0.00344 -0.00175 204 4ZZ -0.00011 -0.00046 0.00009 -0.00107 0.00038 205 4XY -0.00168 0.00340 0.00560 0.00665 -0.00209 206 4XZ 0.00030 -0.00061 -0.00062 -0.00115 0.00036 207 4YZ 0.00041 -0.00090 -0.00155 -0.00278 -0.00138 208 20 H 1S -0.00827 0.01799 0.02085 0.02655 -0.00546 209 2S -0.01176 0.02575 0.03347 0.05740 -0.01196 210 21 H 1S 0.00288 -0.00612 -0.00478 -0.00896 0.01035 211 2S 0.00159 -0.00456 -0.00818 -0.00725 0.00870 212 22 H 1S 0.00377 -0.00896 -0.00520 -0.01751 -0.00811 213 2S 0.00082 -0.00482 -0.01101 -0.00731 0.00662 214 23 H 1S -0.05262 0.10060 -0.14337 0.11830 0.19152 215 2S -0.00429 0.01721 -0.12465 0.10683 0.17213 216 24 H 1S -0.05334 0.10318 0.08307 -0.24237 0.08234 217 2S -0.00457 0.01903 0.06266 -0.20808 0.07019 218 25 H 1S 0.00791 -0.01921 0.00060 0.01243 0.03055 219 2S 0.01154 -0.02454 -0.00406 0.02971 0.07151 220 26 H 1S 0.00754 -0.01926 0.02434 -0.01520 0.02196 221 2S 0.01046 -0.02161 0.04191 -0.04128 0.04450 222 27 H 1S 0.00375 -0.00614 0.00630 0.01152 0.00291 223 2S 0.00087 -0.00161 0.00694 -0.00448 0.00444 224 28 C 1S 0.00021 -0.00049 0.00154 -0.00076 0.00178 225 2S -0.00045 0.00111 -0.00322 0.00187 -0.00314 226 2PX -0.00103 0.00221 -0.00569 0.00202 -0.00717 227 2PY -0.00107 0.00249 -0.00042 -0.00143 -0.00235 228 2PZ -0.00075 0.00253 -0.00098 -0.00163 -0.00146 229 3S -0.00093 0.00230 -0.00986 0.00184 -0.01482 230 3PX -0.00057 0.00170 -0.00634 0.00290 -0.00523 231 3PY -0.00081 0.00260 -0.00375 0.00142 -0.00305 232 3PZ -0.00021 0.00029 -0.00156 0.00028 0.00016 233 4XX 0.00008 -0.00004 0.00030 -0.00017 0.00018 234 4YY -0.00033 0.00054 -0.00101 0.00000 -0.00096 235 4ZZ 0.00018 -0.00029 0.00058 0.00006 0.00062 236 4XY 0.00014 -0.00034 0.00046 0.00027 0.00044 237 4XZ 0.00046 -0.00084 0.00119 0.00042 0.00096 238 4YZ -0.00046 0.00084 -0.00146 -0.00045 -0.00101 239 29 H 1S -0.00023 0.00050 -0.00051 -0.00010 -0.00216 240 2S 0.00017 -0.00153 0.00576 -0.00036 0.00468 241 30 H 1S 0.00213 -0.00435 0.00616 0.00167 0.00611 242 2S 0.00382 -0.00755 0.01110 0.00355 0.01246 243 31 H 1S -0.00201 0.00436 -0.00462 -0.00309 -0.00398 244 2S -0.00369 0.00745 -0.00886 -0.00643 -0.00617 245 32 H 1S 0.00016 -0.00040 0.00114 0.00017 0.00109 246 2S 0.00057 -0.00127 0.00128 0.00150 0.00100 247 33 H 1S -0.00299 0.00521 -0.00925 -0.00196 -0.00768 248 2S -0.00550 0.01001 -0.01981 -0.00435 -0.01487 249 34 H 1S 0.00239 -0.00392 0.00628 0.00168 0.00461 250 2S 0.00437 -0.00711 0.01170 0.00285 0.00991 66 67 68 69 70 66 3S 0.35547 67 3PX 0.01773 0.08891 68 3PY 0.01208 -0.00164 0.08863 69 3PZ -0.01389 0.00108 -0.00059 0.08442 70 4XX -0.00348 0.00197 0.00311 -0.00158 0.00093 71 4YY -0.00077 0.00290 -0.00631 0.00357 -0.00030 72 4ZZ -0.00301 -0.00532 0.00177 0.00104 -0.00009 73 4XY -0.00313 0.00376 0.00449 -0.00480 0.00052 74 4XZ -0.00219 -0.00001 -0.00423 -0.00562 0.00004 75 4YZ -0.00043 -0.00470 0.00570 0.00178 0.00011 76 6 C 1S -0.00384 -0.01283 -0.00797 0.00723 -0.00375 77 2S 0.01154 0.03535 0.01911 -0.01298 0.00677 78 2PX -0.11951 -0.08892 -0.07151 0.02771 0.00289 79 2PY -0.11622 -0.09135 -0.03476 0.02671 -0.00923 80 2PZ 0.02812 0.04518 0.04107 0.02380 0.00347 81 3S -0.03605 0.02061 0.01774 -0.00981 0.00647 82 3PX -0.01876 -0.03186 -0.01791 0.00728 0.00013 83 3PY 0.00013 -0.00593 -0.00319 0.00438 -0.00147 84 3PZ -0.00254 0.01496 0.01933 0.01121 0.00204 85 4XX 0.00797 -0.00119 0.00407 -0.00135 0.00022 86 4YY -0.00206 0.00007 -0.00502 -0.00003 -0.00046 87 4ZZ -0.00142 -0.00110 -0.00045 0.00223 -0.00030 88 4XY 0.01287 0.00507 0.00115 -0.00135 -0.00016 89 4XZ -0.00331 -0.00087 -0.00085 -0.00349 0.00005 90 4YZ -0.00179 -0.00145 0.00007 -0.00252 0.00002 91 7 C 1S 0.01239 0.00632 0.00052 0.00151 -0.00189 92 2S -0.01784 -0.01284 0.00158 -0.00398 0.00392 93 2PX 0.06318 0.02653 0.03034 -0.00115 -0.00786 94 2PY 0.03724 0.00107 -0.01140 0.00873 0.00153 95 2PZ -0.01726 0.00216 0.01566 -0.00395 0.00370 96 3S -0.02478 -0.02332 0.01331 -0.00148 0.00256 97 3PX -0.00090 -0.01428 0.01118 -0.00006 -0.00260 98 3PY 0.01066 -0.00701 -0.00614 0.00567 -0.00054 99 3PZ 0.00066 0.00884 0.01177 -0.00658 0.00243 100 4XX 0.00502 0.00411 0.00087 -0.00106 0.00020 101 4YY -0.00465 -0.00301 -0.00059 0.00005 -0.00025 102 4ZZ 0.00098 0.00053 0.00037 0.00049 -0.00016 103 4XY 0.00561 0.00343 0.00170 -0.00070 -0.00020 104 4XZ -0.00130 -0.00203 -0.00127 -0.00104 -0.00014 105 4YZ -0.00008 0.00015 0.00029 0.00001 0.00011 106 8 C 1S -0.00825 -0.00386 -0.00329 -0.00006 0.00069 107 2S 0.01875 0.00858 0.00724 -0.00058 -0.00151 108 2PX -0.07065 -0.03136 -0.02269 0.00209 0.00228 109 2PY -0.01399 -0.00328 -0.00058 -0.00506 0.00125 110 2PZ 0.01784 0.00275 0.00301 -0.00921 -0.00059 111 3S 0.05072 0.04938 0.01200 -0.00584 -0.00037 112 3PX -0.02668 -0.01478 -0.00001 -0.00082 0.00014 113 3PY -0.01849 -0.01925 -0.00194 -0.00054 -0.00010 114 3PZ 0.00996 0.00256 -0.00066 -0.00773 -0.00008 115 4XX -0.00055 -0.00103 -0.00134 0.00041 0.00010 116 4YY -0.00093 0.00029 0.00069 -0.00044 -0.00002 117 4ZZ -0.00052 -0.00011 0.00018 -0.00006 0.00009 118 4XY 0.00137 0.00060 0.00065 -0.00019 -0.00011 119 4XZ -0.00024 -0.00036 -0.00093 0.00008 -0.00013 120 4YZ -0.00020 -0.00016 -0.00035 0.00025 0.00002 121 9 C 1S 0.00827 0.00285 0.00389 -0.00065 -0.00021 122 2S -0.01437 -0.00503 -0.00679 0.00109 0.00055 123 2PX 0.03211 0.01581 0.00949 -0.00435 -0.00090 124 2PY -0.01210 -0.00790 -0.00767 0.00200 -0.00039 125 2PZ -0.00383 -0.00736 -0.01133 -0.00217 -0.00104 126 3S -0.02058 -0.01788 -0.01275 0.00314 0.00047 127 3PX 0.01528 0.01505 0.00571 -0.00313 -0.00026 128 3PY -0.00735 -0.00465 -0.00902 0.00167 0.00038 129 3PZ -0.00199 -0.00652 -0.00948 -0.00004 -0.00115 130 4XX 0.00090 0.00030 0.00020 0.00022 -0.00011 131 4YY 0.00010 0.00006 0.00025 -0.00026 0.00003 132 4ZZ 0.00058 0.00033 0.00022 -0.00012 0.00001 133 4XY 0.00174 0.00082 0.00048 -0.00007 -0.00005 134 4XZ -0.00048 -0.00001 -0.00007 0.00031 0.00003 135 4YZ -0.00015 -0.00018 -0.00011 -0.00020 0.00001 136 10 C 1S 0.00004 -0.00048 0.00003 0.00022 -0.00014 137 2S 0.00241 0.00193 0.00112 -0.00105 0.00024 138 2PX -0.00616 -0.00380 -0.00438 0.00341 -0.00027 139 2PY 0.00222 -0.00113 0.00187 0.00057 0.00016 140 2PZ -0.00088 0.00093 -0.00130 0.00325 -0.00031 141 3S -0.00479 0.00099 -0.00262 -0.00134 0.00091 142 3PX -0.00050 -0.00213 -0.00120 0.00058 -0.00009 143 3PY -0.00009 -0.00169 -0.00154 0.00092 0.00022 144 3PZ -0.00099 0.00082 -0.00027 0.00208 -0.00018 145 4XX -0.00033 -0.00105 -0.00017 0.00040 -0.00006 146 4YY -0.00020 0.00079 -0.00028 -0.00040 0.00005 147 4ZZ -0.00013 -0.00003 0.00019 0.00017 0.00001 148 4XY 0.00097 0.00052 0.00024 -0.00023 -0.00004 149 4XZ -0.00006 0.00002 -0.00017 -0.00018 0.00000 150 4YZ -0.00013 -0.00063 -0.00070 -0.00013 -0.00008 151 11 C 1S 0.00166 0.00147 0.00078 -0.00073 0.00003 152 2S -0.00205 -0.00266 -0.00106 0.00115 -0.00007 153 2PX 0.00415 0.00509 0.00314 -0.00304 0.00026 154 2PY -0.00158 -0.00021 -0.00147 0.00028 0.00012 155 2PZ -0.00001 -0.00046 0.00047 -0.00016 0.00007 156 3S -0.00271 -0.00606 -0.00150 0.00337 -0.00038 157 3PX 0.00211 0.00319 0.00184 -0.00213 0.00024 158 3PY 0.00034 0.00013 -0.00025 0.00031 -0.00005 159 3PZ -0.00023 -0.00008 0.00053 0.00035 0.00008 160 4XX -0.00013 0.00002 -0.00006 -0.00004 0.00001 161 4YY 0.00031 0.00015 0.00018 -0.00006 -0.00001 162 4ZZ -0.00007 0.00003 -0.00002 0.00001 0.00001 163 4XY -0.00014 0.00008 -0.00009 -0.00009 0.00001 164 4XZ 0.00012 0.00001 0.00015 -0.00016 0.00002 165 4YZ -0.00002 -0.00006 -0.00007 0.00000 -0.00000 166 12 H 1S 0.00135 -0.00015 0.00120 -0.00008 -0.00009 167 2S 0.00223 0.00178 0.00149 -0.00082 -0.00003 168 13 H 1S -0.00046 0.00036 -0.00048 0.00024 -0.00002 169 2S -0.00033 0.00181 0.00017 0.00016 0.00009 170 14 H 1S 0.00031 0.00073 0.00056 -0.00104 0.00016 171 2S 0.00056 0.00146 0.00009 -0.00183 0.00014 172 15 O 1S 0.00154 0.00179 0.00059 -0.00073 0.00014 173 2S -0.00310 -0.00251 -0.00147 0.00133 -0.00013 174 2PX 0.00006 0.01468 0.00069 -0.00524 0.00090 175 2PY 0.00993 -0.00205 0.00597 0.00144 -0.00041 176 2PZ -0.00282 0.00161 0.00573 0.00568 0.00051 177 3S -0.00201 -0.00625 -0.00192 0.00294 -0.00023 178 3PX -0.00058 0.00889 -0.00025 -0.00323 0.00056 179 3PY 0.00764 -0.00229 0.00437 0.00145 -0.00035 180 3PZ -0.00171 0.00168 0.00474 0.00339 0.00047 181 4XX -0.00055 0.00049 -0.00023 -0.00014 0.00003 182 4YY 0.00055 -0.00004 0.00030 0.00005 -0.00002 183 4ZZ -0.00005 0.00000 -0.00027 -0.00011 -0.00001 184 4XY 0.00039 0.00036 0.00004 -0.00003 0.00002 185 4XZ -0.00004 -0.00003 0.00015 0.00029 0.00000 186 4YZ -0.00026 0.00006 0.00007 0.00023 0.00001 187 16 H 1S 0.01079 0.00569 0.00229 -0.00060 -0.00048 188 2S 0.01766 0.00741 0.00585 -0.00075 -0.00097 189 17 H 1S -0.00114 0.00379 0.00542 -0.00358 0.00015 190 2S -0.00563 0.00508 0.00440 -0.00388 0.00040 191 18 H 1S -0.03720 -0.01399 0.00429 -0.00439 -0.00022 192 2S -0.03219 -0.01956 -0.00672 0.00150 -0.00211 193 19 C 1S 0.02127 0.00681 0.00935 -0.00194 0.00077 194 2S -0.02952 -0.01058 -0.01548 0.00131 -0.00176 195 2PX 0.02346 -0.00169 0.00286 0.00362 -0.00053 196 2PY 0.08615 0.04968 0.02515 -0.01325 0.00507 197 2PZ -0.01812 0.00253 -0.00996 -0.01850 -0.00068 198 3S -0.06047 -0.03207 -0.03989 0.00363 -0.00414 199 3PX 0.00407 -0.00291 -0.00512 0.00438 -0.00059 200 3PY 0.04981 0.03334 0.01721 -0.01097 0.00365 201 3PZ -0.00886 0.00099 -0.00512 -0.01264 -0.00030 202 4XX 0.00250 0.00039 0.00053 0.00027 0.00014 203 4YY -0.00040 0.00004 0.00087 -0.00055 0.00002 204 4ZZ -0.00004 0.00092 -0.00028 -0.00015 0.00007 205 4XY 0.00568 0.00324 0.00337 -0.00079 0.00006 206 4XZ -0.00124 -0.00067 -0.00015 0.00090 0.00002 207 4YZ -0.00071 -0.00072 -0.00194 -0.00145 -0.00010 208 20 H 1S 0.04077 0.01790 0.01358 -0.00161 0.00107 209 2S 0.05133 0.02440 0.02913 -0.00445 0.00152 210 21 H 1S -0.00731 -0.00088 -0.00108 0.00919 0.00063 211 2S -0.00527 -0.00007 0.00209 0.01016 0.00121 212 22 H 1S -0.00882 0.00552 -0.01054 -0.01344 0.00012 213 2S -0.00237 0.00110 -0.00820 -0.00676 0.00004 214 23 H 1S 0.09108 -0.06401 0.05399 0.08344 -0.00229 215 2S -0.00103 -0.05554 0.04344 0.07433 -0.00128 216 24 H 1S 0.09701 0.03317 -0.11135 0.03903 -0.00650 217 2S 0.00542 0.02183 -0.09451 0.03427 -0.00534 218 25 H 1S -0.04407 0.00947 0.00370 0.02428 -0.00364 219 2S -0.04958 0.00284 0.00676 0.03744 -0.00334 220 26 H 1S -0.02878 0.01595 -0.00247 0.02033 0.00126 221 2S -0.02767 0.01769 -0.01512 0.02629 -0.00020 222 27 H 1S -0.02116 -0.00302 0.01113 0.00360 -0.00036 223 2S -0.01416 -0.00375 0.00298 0.00422 -0.00151 224 28 C 1S -0.00042 0.00109 -0.00091 0.00166 0.00017 225 2S -0.00014 -0.00189 0.00108 -0.00296 -0.00029 226 2PX 0.00454 -0.00121 0.00310 -0.01034 -0.00065 227 2PY 0.00374 0.00320 -0.00137 -0.00287 -0.00004 228 2PZ 0.00198 0.00215 0.00097 -0.00167 -0.00037 229 3S -0.00131 -0.00629 0.00190 -0.00854 -0.00102 230 3PX 0.00207 -0.00227 0.00213 -0.00601 -0.00059 231 3PY 0.00343 0.00029 -0.00052 -0.00269 -0.00006 232 3PZ -0.00504 -0.00001 0.00020 0.00047 0.00004 233 4XX -0.00010 0.00039 -0.00030 0.00002 0.00000 234 4YY 0.00164 -0.00048 0.00041 -0.00078 -0.00005 235 4ZZ -0.00125 0.00016 -0.00022 0.00070 0.00004 236 4XY -0.00085 -0.00007 0.00019 0.00025 0.00005 237 4XZ -0.00296 0.00023 -0.00038 0.00099 0.00008 238 4YZ 0.00308 -0.00044 0.00020 -0.00078 -0.00006 239 29 H 1S 0.00104 0.00061 0.00097 -0.00462 -0.00020 240 2S -0.00170 0.00290 0.00127 0.00052 0.00043 241 30 H 1S -0.01284 0.00052 -0.00272 0.00701 0.00052 242 2S -0.02600 0.00294 -0.00428 0.01145 0.00082 243 31 H 1S 0.01101 0.00027 0.00003 -0.00248 -0.00037 244 2S 0.02576 -0.00054 0.00037 -0.00561 -0.00067 245 32 H 1S -0.00230 -0.00007 -0.00047 0.00184 0.00018 246 2S -0.00346 -0.00027 0.00064 0.00154 0.00013 247 33 H 1S 0.02431 -0.00232 0.00210 -0.00881 -0.00063 248 2S 0.03857 -0.00594 0.00311 -0.01402 -0.00118 249 34 H 1S -0.01835 0.00375 -0.00334 0.00366 0.00022 250 2S -0.03201 0.00586 -0.00509 0.00802 0.00025 71 72 73 74 75 71 4YY 0.00118 72 4ZZ -0.00023 0.00094 73 4XY -0.00030 -0.00034 0.00111 74 4XZ 0.00013 -0.00020 0.00017 0.00130 75 4YZ -0.00062 0.00053 0.00008 -0.00037 0.00101 76 6 C 1S -0.00032 0.00229 -0.00507 0.00168 0.00132 77 2S 0.00015 -0.00520 0.00975 -0.00318 -0.00247 78 2PX -0.00289 0.00660 -0.00935 0.00331 0.00396 79 2PY 0.00917 0.00393 -0.00279 0.00438 0.00005 80 2PZ 0.00039 -0.00429 0.00428 0.00730 0.00415 81 3S -0.00079 -0.00387 0.00960 -0.00253 -0.00111 82 3PX -0.00094 0.00241 -0.00347 0.00237 0.00160 83 3PY 0.00174 0.00037 -0.00034 0.00107 0.00017 84 3PZ 0.00029 -0.00215 0.00271 0.00577 0.00284 85 4XX -0.00062 0.00018 0.00002 -0.00003 0.00042 86 4YY 0.00069 -0.00017 -0.00024 0.00031 -0.00046 87 4ZZ 0.00004 0.00026 -0.00046 -0.00009 0.00012 88 4XY 0.00006 -0.00033 0.00024 0.00007 -0.00026 89 4XZ -0.00003 -0.00006 0.00020 0.00084 -0.00002 90 4YZ -0.00025 0.00019 -0.00001 -0.00006 0.00008 91 7 C 1S 0.00146 -0.00056 0.00034 0.00041 -0.00076 92 2S -0.00302 0.00107 -0.00067 -0.00083 0.00161 93 2PX 0.00535 -0.00143 0.00154 0.00362 -0.00136 94 2PY -0.00085 0.00054 0.00086 0.00152 0.00024 95 2PZ -0.00098 -0.00226 0.00308 0.01019 0.00381 96 3S -0.00347 0.00256 -0.00135 -0.00178 0.00331 97 3PX 0.00135 0.00057 0.00092 0.00223 0.00071 98 3PY 0.00049 0.00037 0.00013 0.00117 0.00021 99 3PZ -0.00050 -0.00206 0.00241 0.00774 0.00206 100 4XX -0.00008 -0.00027 0.00036 -0.00019 -0.00022 101 4YY 0.00022 0.00011 -0.00019 0.00016 0.00005 102 4ZZ 0.00010 -0.00002 0.00001 0.00007 0.00000 103 4XY 0.00007 -0.00014 0.00007 0.00003 -0.00011 104 4XZ -0.00004 0.00018 -0.00017 -0.00029 -0.00011 105 4YZ -0.00005 -0.00004 0.00010 0.00022 0.00010 106 8 C 1S -0.00049 0.00017 -0.00025 -0.00015 0.00026 107 2S 0.00093 -0.00042 0.00059 0.00031 -0.00054 108 2PX -0.00165 0.00079 -0.00133 -0.00030 0.00099 109 2PY -0.00050 0.00001 -0.00038 -0.00020 0.00040 110 2PZ 0.00010 -0.00012 0.00051 0.00062 -0.00045 111 3S 0.00128 -0.00309 0.00202 0.00019 -0.00231 112 3PX -0.00045 0.00059 -0.00005 -0.00032 0.00079 113 3PY -0.00038 0.00128 -0.00077 0.00010 0.00098 114 3PZ -0.00015 -0.00017 0.00027 0.00024 -0.00043 115 4XX -0.00012 0.00012 -0.00012 -0.00019 -0.00001 116 4YY 0.00006 -0.00004 0.00001 -0.00002 -0.00001 117 4ZZ -0.00004 -0.00002 0.00006 0.00018 0.00008 118 4XY 0.00007 -0.00000 -0.00001 -0.00007 -0.00005 119 4XZ 0.00002 0.00011 -0.00016 -0.00054 -0.00018 120 4YZ -0.00002 0.00002 -0.00002 -0.00004 -0.00000 121 9 C 1S 0.00018 -0.00010 0.00018 0.00002 -0.00007 122 2S -0.00042 0.00015 -0.00028 -0.00008 0.00014 123 2PX 0.00064 -0.00022 0.00026 -0.00087 -0.00067 124 2PY -0.00015 0.00032 -0.00051 -0.00073 -0.00019 125 2PZ -0.00003 0.00123 -0.00172 -0.00518 -0.00179 126 3S -0.00067 0.00142 -0.00123 0.00010 0.00077 127 3PX 0.00033 -0.00066 0.00049 -0.00098 -0.00076 128 3PY -0.00032 0.00007 -0.00068 -0.00068 -0.00036 129 3PZ 0.00013 0.00122 -0.00165 -0.00483 -0.00157 130 4XX 0.00006 -0.00001 0.00002 0.00001 -0.00003 131 4YY -0.00001 0.00000 -0.00001 -0.00000 0.00002 132 4ZZ -0.00000 -0.00001 0.00002 0.00000 -0.00001 133 4XY 0.00003 -0.00002 0.00004 0.00001 -0.00002 134 4XZ -0.00001 0.00001 -0.00002 -0.00005 0.00001 135 4YZ -0.00001 -0.00000 0.00001 0.00002 0.00000 136 10 C 1S 0.00003 -0.00004 0.00003 0.00002 -0.00003 137 2S -0.00006 0.00004 0.00002 -0.00005 0.00005 138 2PX 0.00002 0.00005 -0.00019 -0.00023 -0.00006 139 2PY -0.00003 0.00003 -0.00007 -0.00029 0.00001 140 2PZ 0.00012 0.00029 -0.00049 -0.00151 -0.00043 141 3S -0.00030 -0.00015 -0.00024 -0.00009 -0.00002 142 3PX -0.00003 0.00034 -0.00020 -0.00007 0.00013 143 3PY -0.00009 -0.00011 -0.00016 -0.00010 -0.00010 144 3PZ 0.00008 0.00011 -0.00020 -0.00075 -0.00020 145 4XX 0.00000 0.00000 -0.00001 -0.00000 -0.00001 146 4YY -0.00001 0.00001 -0.00003 -0.00009 -0.00003 147 4ZZ 0.00000 -0.00002 0.00003 0.00010 0.00004 148 4XY 0.00002 0.00000 0.00000 -0.00006 -0.00003 149 4XZ -0.00000 0.00001 -0.00002 -0.00004 -0.00001 150 4YZ 0.00000 0.00007 -0.00010 -0.00030 -0.00010 151 11 C 1S 0.00001 -0.00003 0.00004 -0.00001 -0.00001 152 2S -0.00004 0.00002 -0.00004 0.00002 0.00002 153 2PX 0.00003 -0.00004 0.00010 0.00005 0.00003 154 2PY -0.00008 -0.00000 0.00002 0.00007 0.00005 155 2PZ -0.00002 -0.00012 0.00017 0.00057 0.00018 156 3S 0.00001 -0.00011 0.00002 0.00004 -0.00007 157 3PX -0.00002 0.00005 0.00002 0.00005 0.00008 158 3PY 0.00003 0.00000 0.00004 0.00008 0.00002 159 3PZ -0.00001 -0.00012 0.00014 0.00046 0.00015 160 4XX -0.00000 -0.00000 0.00001 0.00003 0.00001 161 4YY 0.00001 -0.00000 0.00001 -0.00001 -0.00001 162 4ZZ -0.00000 0.00001 -0.00001 -0.00002 -0.00000 163 4XY -0.00000 -0.00000 -0.00000 0.00001 0.00000 164 4XZ -0.00001 -0.00002 0.00003 0.00009 0.00003 165 4YZ -0.00000 0.00001 -0.00001 -0.00002 -0.00001 166 12 H 1S 0.00005 -0.00002 0.00002 0.00001 -0.00001 167 2S 0.00009 -0.00003 0.00003 0.00001 -0.00002 168 13 H 1S -0.00000 0.00009 -0.00013 -0.00041 -0.00012 169 2S 0.00001 0.00001 -0.00005 -0.00016 -0.00004 170 14 H 1S -0.00005 -0.00008 0.00014 0.00039 0.00013 171 2S -0.00004 -0.00003 0.00006 0.00013 0.00003 172 15 O 1S 0.00000 0.00006 0.00003 -0.00002 0.00000 173 2S 0.00002 -0.00005 -0.00004 0.00003 -0.00003 174 2PX -0.00007 -0.00006 0.00016 0.00033 0.00018 175 2PY 0.00012 -0.00014 0.00031 0.00047 0.00004 176 2PZ -0.00001 -0.00060 0.00076 0.00255 0.00096 177 3S -0.00011 0.00007 -0.00010 0.00006 0.00008 178 3PX 0.00002 -0.00005 0.00007 0.00033 0.00012 179 3PY 0.00006 -0.00007 0.00024 0.00039 0.00009 180 3PZ -0.00003 -0.00051 0.00067 0.00216 0.00078 181 4XX 0.00001 -0.00001 -0.00001 0.00001 -0.00000 182 4YY 0.00002 -0.00001 0.00001 0.00002 -0.00000 183 4ZZ 0.00001 0.00000 -0.00001 -0.00002 -0.00002 184 4XY 0.00000 -0.00000 0.00001 0.00001 0.00000 185 4XZ 0.00000 -0.00001 0.00001 0.00004 0.00002 186 4YZ 0.00000 -0.00001 0.00001 0.00004 0.00002 187 16 H 1S 0.00025 -0.00017 0.00021 0.00007 -0.00018 188 2S 0.00056 -0.00021 0.00044 0.00015 -0.00028 189 17 H 1S 0.00009 -0.00030 0.00009 -0.00009 0.00005 190 2S 0.00011 -0.00052 0.00013 -0.00021 -0.00005 191 18 H 1S 0.00021 0.00029 -0.00111 0.00009 0.00068 192 2S 0.00191 0.00035 -0.00144 0.00055 -0.00018 193 19 C 1S -0.00192 -0.00015 -0.00008 -0.00047 0.00056 194 2S 0.00338 -0.00023 0.00023 0.00090 -0.00113 195 2PX -0.00124 0.00089 0.00011 0.00004 0.00025 196 2PY -0.00891 0.00031 -0.00242 -0.00119 0.00318 197 2PZ 0.00174 -0.00067 0.00063 0.00151 0.00014 198 3S 0.00600 0.00006 -0.00150 0.00277 -0.00216 199 3PX -0.00001 0.00053 -0.00034 0.00026 -0.00011 200 3PY -0.00498 -0.00052 0.00036 -0.00101 0.00166 201 3PZ 0.00076 -0.00041 0.00034 0.00180 -0.00013 202 4XX -0.00031 0.00011 -0.00017 0.00000 0.00014 203 4YY 0.00013 -0.00011 0.00038 -0.00015 -0.00013 204 4ZZ -0.00005 -0.00001 -0.00012 0.00006 0.00007 205 4XY -0.00026 -0.00009 0.00019 -0.00014 0.00002 206 4XZ 0.00007 -0.00003 0.00002 0.00017 -0.00002 207 4YZ -0.00001 0.00011 -0.00021 -0.00020 -0.00016 208 20 H 1S -0.00292 0.00022 -0.00005 -0.00058 0.00080 209 2S -0.00368 -0.00012 0.00097 -0.00119 0.00110 210 21 H 1S 0.00011 -0.00011 -0.00072 0.00047 -0.00005 211 2S -0.00063 0.00006 -0.00081 0.00186 0.00051 212 22 H 1S 0.00029 -0.00013 -0.00087 0.00002 0.00013 213 2S -0.00058 0.00079 -0.00175 -0.00207 0.00031 214 23 H 1S -0.00365 0.00633 -0.00690 -0.01129 0.00961 215 2S -0.00378 0.00714 -0.00556 -0.01114 0.00890 216 24 H 1S 0.01191 -0.00492 -0.00832 0.00301 -0.00913 217 2S 0.01087 -0.00360 -0.00685 0.00355 -0.00857 218 25 H 1S -0.00064 0.00743 0.00039 -0.00148 0.00514 219 2S -0.00043 0.00655 -0.00082 -0.00546 0.00516 220 26 H 1S 0.00087 0.00070 -0.00424 0.00371 -0.00604 221 2S 0.00331 -0.00095 -0.00485 0.00187 -0.00694 222 27 H 1S 0.00057 0.00019 -0.00026 -0.00060 -0.00112 223 2S 0.00113 0.00061 -0.00173 -0.00041 -0.00229 224 28 C 1S 0.00005 -0.00014 -0.00004 0.00007 -0.00012 225 2S -0.00008 0.00026 0.00013 -0.00013 0.00029 226 2PX -0.00008 0.00045 0.00039 -0.00037 0.00070 227 2PY -0.00017 -0.00025 0.00034 -0.00017 0.00051 228 2PZ 0.00027 0.00015 -0.00055 0.00004 -0.00034 229 3S -0.00018 0.00098 0.00002 -0.00002 0.00021 230 3PX -0.00017 0.00059 0.00003 -0.00035 0.00039 231 3PY -0.00031 -0.00006 0.00052 -0.00032 0.00088 232 3PZ 0.00008 0.00008 -0.00022 0.00006 -0.00018 233 4XX 0.00000 0.00001 -0.00002 -0.00001 -0.00002 234 4YY -0.00003 0.00001 0.00000 0.00001 0.00005 235 4ZZ 0.00001 -0.00001 0.00001 -0.00001 -0.00001 236 4XY 0.00001 -0.00006 0.00008 -0.00001 0.00004 237 4XZ 0.00001 0.00000 0.00008 -0.00003 0.00001 238 4YZ -0.00003 0.00001 -0.00010 0.00005 -0.00003 239 29 H 1S -0.00002 -0.00005 0.00033 -0.00017 0.00035 240 2S 0.00013 -0.00055 0.00022 0.00009 -0.00011 241 30 H 1S -0.00003 -0.00011 0.00031 -0.00006 -0.00005 242 2S 0.00007 -0.00006 0.00046 -0.00034 -0.00003 243 31 H 1S 0.00002 0.00004 -0.00060 0.00020 -0.00028 244 2S -0.00000 0.00005 -0.00107 0.00033 -0.00049 245 32 H 1S -0.00001 -0.00018 0.00010 0.00007 0.00003 246 2S 0.00004 -0.00006 -0.00004 0.00006 -0.00019 247 33 H 1S -0.00016 0.00033 -0.00057 0.00013 -0.00010 248 2S -0.00038 0.00064 -0.00115 0.00034 -0.00017 249 34 H 1S 0.00017 0.00019 0.00030 -0.00032 0.00001 250 2S 0.00031 0.00044 0.00035 -0.00060 -0.00002 76 77 78 79 80 76 6 C 1S 2.05355 77 2S -0.06680 0.33918 78 2PX -0.00504 0.00336 0.42889 79 2PY 0.00350 -0.00553 -0.00841 0.40694 80 2PZ -0.00008 0.00084 -0.01769 -0.01259 0.31815 81 3S -0.17025 0.27075 0.02233 -0.00324 -0.00708 82 3PX 0.00756 -0.02231 0.13002 0.00617 0.01942 83 3PY -0.00188 0.00579 0.00096 0.06027 0.02146 84 3PZ -0.00049 0.00327 0.01047 0.01951 0.19532 85 4XX -0.01655 -0.00336 0.00355 -0.01051 0.00402 86 4YY -0.01592 -0.00488 -0.00638 0.01245 -0.00250 87 4ZZ -0.01116 -0.01525 -0.00114 -0.00018 -0.00172 88 4XY 0.00023 -0.00099 -0.01376 -0.00481 0.00364 89 4XZ 0.00100 -0.00203 0.00254 0.00446 0.00959 90 4YZ 0.00081 -0.00161 0.00233 -0.00244 -0.00542 91 7 C 1S 0.01952 -0.03892 -0.07672 0.03492 0.00782 92 2S -0.03901 0.06836 0.15301 -0.07209 -0.01495 93 2PX 0.07477 -0.14920 -0.23752 0.13124 0.07250 94 2PY -0.04194 0.08153 0.15333 -0.03423 0.02414 95 2PZ -0.00709 0.01504 0.06818 0.02650 0.27527 96 3S -0.00018 0.02446 0.11031 -0.04575 -0.01433 97 3PX 0.00860 -0.02852 -0.04225 0.08331 0.03387 98 3PY -0.00730 0.02168 0.04000 0.01880 0.01919 99 3PZ -0.00141 0.00356 0.03633 0.01254 0.19600 100 4XX -0.00418 0.00713 -0.00408 -0.00874 -0.00136 101 4YY 0.00161 -0.00435 -0.00323 0.01141 0.00063 102 4ZZ 0.00206 -0.00466 -0.00624 0.00258 0.00226 103 4XY 0.00434 -0.00857 -0.01116 -0.00372 0.00194 104 4XZ 0.00066 -0.00110 -0.00065 0.00112 -0.01117 105 4YZ -0.00073 0.00152 0.00267 0.00007 0.00658 106 8 C 1S -0.00400 0.00866 0.01495 0.00079 -0.00269 107 2S 0.00855 -0.01844 -0.03284 0.00107 0.00563 108 2PX -0.01591 0.03691 0.05891 -0.00421 -0.00624 109 2PY -0.00048 0.00198 0.01301 -0.00618 0.00121 110 2PZ 0.00296 -0.00689 -0.00973 0.00407 0.01745 111 3S 0.01237 -0.02796 -0.09462 -0.06791 0.02759 112 3PX -0.00080 0.00538 -0.00583 0.01307 0.00090 113 3PY 0.00058 -0.00094 0.03336 0.02462 -0.00804 114 3PZ 0.00030 -0.00109 -0.00317 -0.00531 0.00571 115 4XX -0.00198 0.00399 0.00886 -0.00352 -0.00548 116 4YY 0.00128 -0.00231 -0.00500 0.00155 0.00019 117 4ZZ -0.00024 0.00055 0.00140 0.00090 0.00462 118 4XY 0.00099 -0.00217 -0.00302 0.00049 -0.00211 119 4XZ 0.00020 -0.00041 -0.00372 -0.00151 -0.01319 120 4YZ -0.00047 0.00092 0.00128 -0.00059 -0.00117 121 9 C 1S 0.00217 -0.00551 -0.00874 0.00100 0.00133 122 2S -0.00556 0.01260 0.01945 -0.00612 -0.00227 123 2PX 0.00951 -0.02066 -0.03671 0.00447 -0.01757 124 2PY -0.00279 0.00595 0.00828 -0.00070 -0.02039 125 2PZ -0.00116 0.00235 -0.01603 -0.01982 -0.12057 126 3S -0.00701 0.01705 0.06510 0.02184 -0.01521 127 3PX 0.00515 -0.01113 -0.04400 -0.01572 -0.01103 128 3PY -0.00708 0.01202 0.02635 -0.01737 -0.02036 129 3PZ 0.00021 -0.00017 -0.01617 -0.01254 -0.11406 130 4XX 0.00052 -0.00109 -0.00205 0.00099 -0.00016 131 4YY 0.00009 -0.00027 0.00006 0.00005 0.00013 132 4ZZ -0.00001 -0.00017 -0.00028 -0.00048 0.00032 133 4XY 0.00024 -0.00058 -0.00123 0.00012 0.00015 134 4XZ -0.00015 0.00028 0.00038 -0.00050 -0.00103 135 4YZ -0.00007 0.00014 0.00028 -0.00005 0.00056 136 10 C 1S 0.00002 -0.00031 -0.00091 0.00058 0.00007 137 2S 0.00021 0.00002 0.00080 -0.00047 -0.00006 138 2PX 0.00050 -0.00047 -0.00390 0.00121 -0.00620 139 2PY -0.00076 0.00077 0.00296 -0.00469 -0.00550 140 2PZ 0.00000 -0.00022 -0.00611 -0.00523 -0.03588 141 3S -0.00370 0.00582 0.01393 -0.01455 -0.00031 142 3PX -0.00004 -0.00009 0.00833 0.00666 -0.00578 143 3PY -0.00318 0.00483 0.01183 -0.01084 -0.00338 144 3PZ 0.00052 -0.00086 -0.00644 -0.00230 -0.01684 145 4XX -0.00052 0.00068 0.00108 -0.00053 -0.00044 146 4YY 0.00025 -0.00019 -0.00102 -0.00048 -0.00173 147 4ZZ -0.00000 -0.00004 0.00032 0.00053 0.00222 148 4XY 0.00034 -0.00065 -0.00135 0.00008 -0.00132 149 4XZ 0.00006 -0.00005 -0.00024 -0.00005 -0.00093 150 4YZ -0.00009 0.00012 -0.00087 -0.00103 -0.00700 151 11 C 1S 0.00045 -0.00083 -0.00139 0.00029 0.00016 152 2S -0.00120 0.00193 0.00342 -0.00110 -0.00031 153 2PX 0.00140 -0.00243 -0.00267 0.00081 0.00258 154 2PY -0.00036 0.00125 0.00119 -0.00005 0.00192 155 2PZ -0.00020 0.00031 0.00257 0.00189 0.01274 156 3S -0.00216 0.00390 0.00229 -0.00413 0.00041 157 3PX 0.00089 -0.00168 0.00040 0.00169 0.00159 158 3PY 0.00054 -0.00064 -0.00153 0.00288 0.00145 159 3PZ -0.00028 0.00047 0.00205 0.00091 0.01061 160 4XX 0.00005 -0.00001 -0.00005 0.00015 0.00067 161 4YY 0.00003 -0.00014 -0.00027 -0.00013 -0.00007 162 4ZZ -0.00006 0.00010 0.00010 -0.00016 -0.00053 163 4XY -0.00005 0.00011 0.00020 0.00001 0.00020 164 4XZ -0.00001 0.00002 0.00039 0.00028 0.00203 165 4YZ -0.00001 0.00002 -0.00004 -0.00007 -0.00055 166 12 H 1S 0.00009 -0.00070 -0.00040 -0.00014 0.00005 167 2S 0.00128 -0.00260 -0.00365 0.00174 0.00019 168 13 H 1S -0.00007 0.00023 -0.00115 -0.00157 -0.00928 169 2S 0.00037 -0.00044 -0.00179 -0.00028 -0.00327 170 14 H 1S -0.00007 0.00032 0.00197 0.00122 0.00921 171 2S 0.00042 -0.00042 -0.00066 0.00079 0.00355 172 15 O 1S 0.00060 -0.00080 -0.00188 0.00134 0.00008 173 2S -0.00148 0.00225 0.00321 -0.00336 0.00002 174 2PX 0.00533 -0.00635 -0.01251 0.00790 0.01145 175 2PY -0.00274 0.00225 0.00825 -0.00142 0.00806 176 2PZ -0.00066 0.00090 0.01143 0.00795 0.05731 177 3S -0.00254 0.00466 0.01449 -0.00542 -0.00151 178 3PX 0.00345 -0.00440 -0.00751 0.00685 0.00908 179 3PY -0.00170 0.00146 0.00711 -0.00019 0.00677 180 3PZ -0.00045 0.00069 0.00920 0.00662 0.04917 181 4XX 0.00018 -0.00034 -0.00103 0.00058 0.00031 182 4YY -0.00019 0.00009 0.00017 0.00000 0.00022 183 4ZZ -0.00016 0.00011 -0.00027 -0.00000 -0.00049 184 4XY -0.00007 0.00014 0.00032 -0.00001 0.00024 185 4XZ -0.00007 0.00007 0.00028 0.00001 0.00073 186 4YZ 0.00002 -0.00002 0.00006 0.00017 0.00093 187 16 H 1S 0.00282 -0.00591 -0.01131 0.00479 0.00111 188 2S 0.00571 -0.01188 -0.02375 0.01191 0.00211 189 17 H 1S 0.00625 -0.01218 -0.02116 -0.00071 0.00360 190 2S 0.00501 -0.00898 -0.03043 0.00394 0.00341 191 18 H 1S 0.01357 -0.02908 -0.02940 0.03085 0.00049 192 2S 0.01473 -0.03026 -0.04366 0.07206 -0.00661 193 19 C 1S 0.01264 -0.02347 0.00965 -0.06609 0.00845 194 2S -0.02341 0.04043 -0.01960 0.12754 -0.01566 195 2PX -0.01352 0.02894 0.00441 0.06631 -0.00355 196 2PY 0.06837 -0.14257 0.05284 -0.30387 0.04369 197 2PZ -0.00737 0.01521 -0.00006 0.03972 0.03779 198 3S -0.00145 0.01323 -0.01718 0.20413 -0.02971 199 3PX -0.00506 0.01462 0.00879 0.04243 -0.00262 200 3PY 0.01428 -0.03844 0.02754 -0.17093 0.02554 201 3PZ -0.00139 0.00310 0.00211 0.02211 0.03150 202 4XX 0.00195 -0.00466 0.00437 -0.00745 0.00106 203 4YY -0.00663 0.01161 -0.00443 0.00699 -0.00268 204 4ZZ 0.00240 -0.00532 0.00179 -0.00720 0.00269 205 4XY 0.00184 -0.00340 -0.01017 -0.00524 0.00115 206 4XZ -0.00017 0.00036 0.00134 0.00110 0.00228 207 4YZ 0.00132 -0.00240 0.00110 -0.00289 -0.00968 208 20 H 1S 0.00809 -0.01946 -0.01144 -0.03287 0.00675 209 2S 0.01131 -0.02479 -0.04039 -0.06212 0.01594 210 21 H 1S 0.00750 -0.01960 0.01365 -0.02769 0.00499 211 2S 0.01083 -0.02318 0.03788 -0.04177 0.04498 212 22 H 1S 0.00770 -0.02022 0.01424 -0.02742 -0.00109 213 2S 0.01152 -0.02417 0.02319 -0.05301 -0.03824 214 23 H 1S 0.00836 -0.02180 0.03377 0.00772 -0.00794 215 2S 0.01110 -0.02581 0.06153 0.00210 -0.04185 216 24 H 1S 0.00927 -0.02133 0.01321 0.02996 -0.00757 217 2S 0.01227 -0.02712 0.02261 0.07251 -0.01283 218 25 H 1S 0.00297 -0.00943 0.01508 0.01059 0.01015 219 2S 0.00250 -0.00803 0.01870 0.00153 -0.01783 220 26 H 1S 0.00344 -0.00644 0.01166 0.00408 0.00269 221 2S 0.00212 -0.00583 0.00997 0.01454 -0.00429 222 27 H 1S -0.00020 0.00031 -0.00193 -0.00327 -0.00035 223 2S 0.00286 -0.00471 0.00092 0.00434 -0.00914 224 28 C 1S -0.00007 0.00030 -0.00026 -0.00034 -0.00008 225 2S 0.00001 -0.00056 0.00085 0.00016 0.00086 226 2PX 0.00006 -0.00039 0.00045 0.00076 0.00017 227 2PY -0.00071 0.00085 -0.00198 -0.00025 0.00016 228 2PZ 0.00073 -0.00085 0.00181 0.00102 -0.00173 229 3S 0.00188 -0.00242 0.00124 0.00512 -0.00379 230 3PX 0.00092 -0.00128 0.00046 0.00191 -0.00319 231 3PY -0.00151 0.00131 -0.00115 0.00057 0.00107 232 3PZ 0.00043 -0.00065 0.00157 0.00021 -0.00055 233 4XX 0.00001 -0.00002 -0.00000 -0.00010 -0.00004 234 4YY 0.00008 -0.00010 0.00023 0.00011 -0.00009 235 4ZZ -0.00006 0.00007 -0.00013 -0.00018 0.00019 236 4XY -0.00019 0.00026 -0.00037 -0.00021 0.00026 237 4XZ -0.00010 0.00018 -0.00053 -0.00034 0.00036 238 4YZ 0.00015 -0.00028 0.00075 0.00038 -0.00035 239 29 H 1S -0.00061 0.00052 -0.00103 -0.00004 0.00046 240 2S -0.00000 0.00072 -0.00184 -0.00452 0.00227 241 30 H 1S -0.00068 0.00088 -0.00247 -0.00170 0.00187 242 2S -0.00104 0.00149 -0.00450 -0.00297 0.00173 243 31 H 1S 0.00078 -0.00133 0.00305 0.00180 -0.00187 244 2S 0.00164 -0.00250 0.00568 0.00346 -0.00444 245 32 H 1S -0.00034 0.00050 -0.00090 -0.00061 0.00015 246 2S -0.00021 0.00032 -0.00026 -0.00085 -0.00006 247 33 H 1S 0.00120 -0.00201 0.00452 0.00255 -0.00269 248 2S 0.00239 -0.00441 0.01031 0.00576 -0.00402 249 34 H 1S -0.00040 0.00062 -0.00229 -0.00124 0.00152 250 2S -0.00058 0.00060 -0.00360 -0.00185 0.00282 81 82 83 84 85 81 3S 0.27755 82 3PX -0.00641 0.05066 83 3PY -0.01279 0.00198 0.02125 84 3PZ 0.00133 0.01882 0.01605 0.12653 85 4XX -0.00123 0.00253 -0.00099 0.00195 0.00117 86 4YY -0.00570 -0.00237 0.00169 -0.00113 -0.00070 87 4ZZ -0.01095 0.00035 -0.00053 -0.00132 0.00020 88 4XY 0.00006 -0.00345 -0.00054 0.00103 0.00015 89 4XZ -0.00191 0.00199 0.00123 0.00710 0.00003 90 4YZ -0.00095 0.00027 -0.00073 -0.00382 0.00007 91 7 C 1S -0.00010 -0.00988 -0.00235 0.00204 -0.00396 92 2S 0.02165 0.03666 0.00478 -0.00664 0.00692 93 2PX -0.12849 -0.04540 0.02916 0.03796 0.00274 94 2PY 0.13459 0.06802 0.00031 0.01643 0.00937 95 2PZ -0.00045 0.04091 0.02253 0.18000 0.00243 96 3S -0.03814 0.01612 0.01561 -0.00672 0.00514 97 3PX 0.00564 0.00367 0.00503 0.02523 0.00132 98 3PY 0.04850 0.02177 -0.00118 0.01490 0.00229 99 3PZ -0.00980 0.02725 0.01902 0.12807 0.00254 100 4XX 0.00913 -0.00145 -0.00207 -0.00179 0.00026 101 4YY -0.00853 -0.00159 0.00209 0.00114 -0.00055 102 4ZZ -0.00236 -0.00120 -0.00005 0.00143 -0.00021 103 4XY -0.00780 -0.00229 -0.00015 0.00004 0.00037 104 4XZ -0.00096 -0.00122 -0.00081 -0.00729 -0.00023 105 4YZ 0.00252 0.00145 0.00024 0.00414 0.00010 106 8 C 1S 0.00136 -0.00006 0.00468 -0.00081 -0.00179 107 2S -0.00186 0.00010 -0.01086 0.00199 0.00389 108 2PX 0.05829 0.00066 -0.03231 0.00399 -0.00835 109 2PY -0.04491 0.00202 0.00427 -0.00091 -0.00229 110 2PZ -0.00236 0.00112 0.00335 -0.00406 0.00342 111 3S -0.02839 -0.02259 -0.01250 0.00687 0.00412 112 3PX 0.01153 -0.00790 -0.01137 0.00277 -0.00269 113 3PY -0.01021 0.01123 0.00471 -0.00285 -0.00007 114 3PZ 0.00010 -0.00008 -0.00030 -0.00619 0.00147 115 4XX 0.00510 0.00178 -0.00076 -0.00342 0.00025 116 4YY -0.00598 -0.00153 0.00069 0.00002 -0.00029 117 4ZZ 0.00012 0.00053 0.00103 0.00317 -0.00008 118 4XY -0.00393 -0.00106 0.00090 -0.00165 0.00021 119 4XZ -0.00016 -0.00251 -0.00144 -0.00925 -0.00029 120 4YZ 0.00183 0.00023 -0.00027 -0.00043 -0.00006 121 9 C 1S -0.00460 0.00396 0.00416 -0.00121 0.00077 122 2S 0.01343 -0.00319 -0.00770 0.00159 -0.00146 123 2PX -0.06877 -0.01638 0.02518 -0.01918 0.00230 124 2PY 0.02702 -0.00746 -0.02203 -0.01092 -0.00064 125 2PZ 0.01144 -0.01694 -0.01766 -0.09556 -0.00102 126 3S -0.00588 0.00415 0.01485 -0.00389 -0.00103 127 3PX -0.03475 -0.02152 0.00347 -0.01272 0.00041 128 3PY 0.03205 0.00715 -0.01784 -0.01284 -0.00054 129 3PZ 0.00402 -0.01654 -0.01245 -0.08631 -0.00092 130 4XX 0.00032 -0.00063 -0.00051 0.00007 0.00014 131 4YY -0.00203 0.00034 0.00086 -0.00007 -0.00004 132 4ZZ -0.00048 0.00010 0.00036 -0.00006 0.00007 133 4XY -0.00069 -0.00033 0.00079 -0.00004 0.00017 134 4XZ -0.00009 0.00006 0.00006 -0.00031 -0.00011 135 4YZ 0.00041 0.00014 -0.00018 0.00038 0.00001 136 10 C 1S 0.00357 0.00026 -0.00433 0.00060 0.00015 137 2S -0.00806 0.00199 0.01065 -0.00187 -0.00018 138 2PX -0.00626 -0.01516 -0.01180 -0.00174 -0.00038 139 2PY -0.00160 0.00828 -0.00241 -0.00599 -0.00008 140 2PZ 0.00236 -0.00593 -0.00308 -0.03170 -0.00051 141 3S -0.00433 0.00601 0.00426 -0.00162 -0.00101 142 3PX -0.01117 -0.00187 0.00686 -0.00374 0.00030 143 3PY 0.02447 0.01309 -0.01157 -0.00315 0.00002 144 3PZ -0.00122 -0.00542 -0.00228 -0.01530 -0.00038 145 4XX 0.00835 0.00244 -0.00412 0.00005 0.00007 146 4YY -0.00700 -0.00301 0.00273 -0.00135 -0.00010 147 4ZZ -0.00004 0.00018 -0.00014 0.00160 0.00002 148 4XY -0.00138 -0.00050 0.00071 -0.00109 0.00008 149 4XZ -0.00153 -0.00058 0.00062 -0.00034 -0.00003 150 4YZ 0.00162 -0.00058 -0.00154 -0.00508 -0.00004 151 11 C 1S -0.00687 -0.00044 0.00397 -0.00049 0.00000 152 2S 0.01538 0.00348 -0.00861 0.00070 0.00002 153 2PX -0.02238 0.00100 0.01665 -0.00049 -0.00002 154 2PY -0.00250 -0.00312 0.00114 0.00213 -0.00031 155 2PZ 0.00391 0.00271 -0.00104 0.01132 0.00016 156 3S 0.05201 0.01122 -0.02838 0.00225 0.00017 157 3PX -0.02179 -0.00074 0.01481 -0.00030 -0.00004 158 3PY -0.00457 -0.00281 0.00174 0.00157 -0.00002 159 3PZ 0.00425 0.00249 -0.00127 0.00917 0.00007 160 4XX -0.00056 -0.00035 0.00031 0.00058 -0.00002 161 4YY -0.00015 0.00020 0.00004 -0.00012 0.00003 162 4ZZ 0.00008 0.00005 0.00013 -0.00050 -0.00002 163 4XY -0.00038 -0.00016 0.00043 0.00018 -0.00002 164 4XZ 0.00014 0.00054 0.00022 0.00166 0.00003 165 4YZ 0.00012 -0.00005 -0.00009 -0.00034 -0.00001 166 12 H 1S 0.00475 0.00368 -0.00241 -0.00027 0.00027 167 2S -0.01294 -0.00177 0.00507 -0.00050 0.00017 168 13 H 1S -0.00190 -0.00154 0.00098 -0.00824 -0.00021 169 2S -0.00948 -0.00332 0.00524 -0.00397 -0.00027 170 14 H 1S -0.00250 0.00185 0.00379 0.00753 -0.00001 171 2S -0.00983 -0.00172 0.00666 0.00310 -0.00011 172 15 O 1S -0.00986 -0.00185 0.00900 -0.00103 -0.00020 173 2S 0.01741 0.00140 -0.01475 0.00196 0.00029 174 2PX -0.10084 -0.03511 0.05709 0.00428 -0.00126 175 2PY 0.07676 0.03775 -0.01821 0.00214 0.00136 176 2PZ 0.00548 0.00858 -0.00195 0.03692 0.00024 177 3S 0.03042 0.00762 -0.02514 0.00244 0.00114 178 3PX -0.06733 -0.02278 0.03667 0.00435 -0.00094 179 3PY 0.05456 0.02648 -0.01473 0.00290 0.00123 180 3PZ 0.00292 0.00731 0.00070 0.03266 0.00026 181 4XX -0.00464 -0.00218 0.00215 0.00015 -0.00014 182 4YY 0.00353 0.00197 -0.00059 -0.00015 0.00004 183 4ZZ -0.00020 -0.00034 0.00007 -0.00019 -0.00003 184 4XY -0.00024 0.00018 0.00105 -0.00007 0.00001 185 4XZ 0.00096 0.00043 -0.00056 0.00038 0.00001 186 4YZ -0.00060 -0.00035 -0.00005 0.00044 -0.00002 187 16 H 1S -0.01742 -0.00938 0.00430 0.00087 0.00097 188 2S -0.01467 -0.00664 0.00639 0.00010 0.00173 189 17 H 1S -0.04146 -0.00452 0.00081 0.00113 -0.00078 190 2S -0.04607 -0.01187 0.00453 0.00107 -0.00274 191 18 H 1S -0.07796 -0.02120 0.00716 0.00341 -0.00364 192 2S -0.04707 -0.01692 -0.00039 0.00112 -0.00524 193 19 C 1S -0.00057 0.00465 -0.00253 -0.00039 0.00262 194 2S 0.01101 -0.00609 0.02102 -0.00183 -0.00588 195 2PX 0.03031 -0.01032 0.00937 -0.00071 -0.00458 196 2PY -0.11642 0.02423 -0.04446 0.00436 0.00993 197 2PZ 0.00364 -0.00245 0.01201 0.00481 -0.00242 198 3S -0.01048 -0.00581 0.02621 -0.00337 -0.00915 199 3PX 0.01465 -0.00428 0.00569 0.00036 -0.00292 200 3PY -0.02620 0.01064 -0.02362 0.00364 0.00556 201 3PZ -0.00262 0.00171 0.00696 0.01122 -0.00088 202 4XX -0.00382 0.00165 -0.00113 0.00060 0.00031 203 4YY 0.01016 -0.00248 0.00084 -0.00142 -0.00033 204 4ZZ -0.00485 0.00127 -0.00096 0.00107 0.00031 205 4XY -0.00323 -0.00324 -0.00088 -0.00014 0.00003 206 4XZ 0.00062 0.00113 0.00020 0.00281 0.00015 207 4YZ -0.00218 -0.00035 -0.00108 -0.00681 -0.00006 208 20 H 1S -0.02233 -0.00697 -0.00463 0.00078 -0.00086 209 2S -0.02430 -0.01401 -0.00827 0.00266 0.00115 210 21 H 1S -0.02223 0.01349 -0.00446 0.01373 0.00237 211 2S -0.01977 0.02347 -0.00399 0.03737 0.00377 212 22 H 1S -0.02992 0.00570 -0.00185 -0.01417 0.00003 213 2S -0.02545 0.00458 -0.00908 -0.03803 0.00088 214 23 H 1S -0.02882 0.01320 0.00164 -0.01160 0.00445 215 2S -0.02123 0.01310 -0.00370 -0.03058 0.00238 216 24 H 1S -0.04338 0.00587 0.01039 -0.00809 -0.00465 217 2S -0.04184 0.00678 0.01396 -0.00654 -0.00606 218 25 H 1S -0.00608 0.00241 0.00747 0.00771 -0.00054 219 2S -0.00281 -0.00236 0.00213 -0.01203 -0.00086 220 26 H 1S -0.01948 0.01079 -0.00194 -0.00262 -0.00077 221 2S -0.01762 0.00837 -0.00008 -0.00669 -0.00179 222 27 H 1S 0.00104 -0.00218 -0.00262 -0.00109 0.00027 223 2S -0.00695 0.00073 -0.00128 -0.00657 -0.00004 224 28 C 1S -0.00078 -0.00066 -0.00022 -0.00022 -0.00008 225 2S 0.00141 0.00001 0.00072 0.00093 0.00015 226 2PX 0.00160 0.00377 0.00279 0.00062 0.00022 227 2PY 0.00433 -0.00117 -0.00166 -0.00155 -0.00010 228 2PZ -0.00722 0.00304 0.00182 -0.00137 0.00023 229 3S -0.00176 0.00067 0.00235 -0.00076 0.00029 230 3PX -0.00074 0.00185 0.00174 -0.00164 0.00015 231 3PY 0.00434 -0.00121 -0.00067 0.00025 0.00000 232 3PZ -0.00150 0.00104 -0.00056 -0.00010 0.00016 233 4XX -0.00002 -0.00005 0.00003 -0.00011 -0.00001 234 4YY -0.00042 0.00043 0.00028 -0.00002 0.00004 235 4ZZ 0.00041 -0.00034 -0.00034 0.00013 -0.00001 236 4XY 0.00104 -0.00027 -0.00041 0.00017 -0.00002 237 4XZ 0.00134 -0.00073 -0.00062 0.00035 -0.00004 238 4YZ -0.00152 0.00063 0.00064 -0.00031 0.00004 239 29 H 1S 0.00473 0.00060 -0.00034 -0.00025 -0.00005 240 2S 0.00474 0.00030 -0.00236 0.00035 -0.00007 241 30 H 1S 0.00687 -0.00501 -0.00346 0.00150 -0.00027 242 2S 0.01134 -0.00720 -0.00607 0.00155 -0.00041 243 31 H 1S -0.00789 0.00243 0.00236 -0.00201 0.00019 244 2S -0.01481 0.00552 0.00551 -0.00428 0.00022 245 32 H 1S 0.00204 -0.00271 -0.00050 0.00005 -0.00008 246 2S 0.00064 -0.00183 -0.00012 -0.00003 -0.00001 247 33 H 1S -0.01153 0.00610 0.00592 -0.00235 0.00028 248 2S -0.01947 0.01029 0.00936 -0.00337 0.00055 249 34 H 1S 0.00552 -0.00264 -0.00222 0.00155 -0.00014 250 2S 0.00960 -0.00497 -0.00448 0.00255 -0.00028 86 87 88 89 90 86 4YY 0.00145 87 4ZZ 0.00028 0.00087 88 4XY -0.00002 0.00006 0.00135 89 4XZ 0.00013 -0.00008 -0.00011 0.00090 90 4YZ -0.00009 0.00004 -0.00017 -0.00025 0.00055 91 7 C 1S 0.00160 0.00205 0.00474 0.00057 -0.00076 92 2S -0.00479 -0.00449 -0.00903 -0.00104 0.00165 93 2PX 0.00531 0.00567 0.00982 0.00205 -0.00287 94 2PY -0.01331 -0.00355 0.00507 -0.00122 -0.00023 95 2PZ -0.00105 -0.00317 -0.00162 0.01448 -0.00646 96 3S -0.00298 -0.00224 -0.00979 -0.00059 0.00208 97 3PX 0.00050 0.00079 0.00230 0.00193 -0.00123 98 3PY -0.00379 -0.00096 0.00214 0.00046 -0.00055 99 3PZ -0.00107 -0.00195 -0.00003 0.01010 -0.00483 100 4XX -0.00049 -0.00024 0.00061 -0.00027 0.00000 101 4YY 0.00090 0.00012 -0.00054 0.00032 -0.00008 102 4ZZ 0.00015 0.00028 0.00039 0.00005 -0.00007 103 4XY -0.00004 0.00036 0.00058 -0.00006 -0.00002 104 4XZ 0.00019 0.00009 -0.00015 -0.00022 0.00018 105 4YZ -0.00017 -0.00011 0.00009 0.00030 -0.00011 106 8 C 1S 0.00109 -0.00030 -0.00135 0.00049 -0.00001 107 2S -0.00212 0.00068 0.00285 -0.00106 -0.00002 108 2PX 0.00353 -0.00071 -0.00424 0.00308 -0.00021 109 2PY 0.00156 -0.00035 -0.00333 0.00167 0.00003 110 2PZ -0.00135 -0.00085 0.00172 0.00380 -0.00158 111 3S -0.00215 0.00128 0.00518 -0.00129 -0.00037 112 3PX 0.00140 -0.00001 -0.00220 0.00147 0.00011 113 3PY -0.00030 -0.00013 -0.00235 0.00087 0.00036 114 3PZ -0.00046 -0.00063 0.00104 0.00235 -0.00083 115 4XX -0.00040 -0.00015 -0.00016 -0.00026 0.00015 116 4YY 0.00041 0.00008 -0.00021 0.00007 -0.00000 117 4ZZ 0.00003 -0.00005 -0.00005 0.00025 -0.00011 118 4XY 0.00006 0.00005 -0.00007 -0.00015 0.00006 119 4XZ 0.00019 0.00013 -0.00000 -0.00051 0.00026 120 4YZ -0.00005 0.00000 0.00003 -0.00012 0.00005 121 9 C 1S -0.00008 -0.00001 0.00010 -0.00017 -0.00001 122 2S -0.00005 -0.00016 -0.00037 0.00031 0.00005 123 2PX -0.00001 0.00031 0.00051 -0.00097 0.00027 124 2PY -0.00012 -0.00003 0.00010 -0.00032 0.00028 125 2PZ 0.00067 0.00028 -0.00014 -0.00251 0.00177 126 3S -0.00043 -0.00042 -0.00089 0.00018 0.00014 127 3PX 0.00046 0.00047 0.00064 -0.00066 0.00022 128 3PY -0.00020 -0.00046 -0.00056 -0.00046 0.00030 129 3PZ 0.00062 0.00049 -0.00015 -0.00316 0.00183 130 4XX -0.00006 0.00005 0.00019 -0.00011 0.00001 131 4YY 0.00006 -0.00001 -0.00011 0.00005 -0.00000 132 4ZZ -0.00002 -0.00001 0.00000 0.00002 -0.00001 133 4XY -0.00008 0.00000 0.00011 -0.00006 -0.00000 134 4XZ 0.00004 0.00003 -0.00007 -0.00015 0.00007 135 4YZ -0.00001 -0.00002 0.00001 0.00009 -0.00003 136 10 C 1S -0.00008 -0.00005 0.00008 -0.00005 -0.00001 137 2S 0.00013 0.00005 -0.00024 0.00008 0.00003 138 2PX 0.00020 0.00017 0.00028 -0.00026 0.00011 139 2PY -0.00000 -0.00021 -0.00058 -0.00021 0.00020 140 2PZ 0.00023 0.00030 -0.00006 -0.00177 0.00085 141 3S 0.00057 -0.00023 -0.00148 0.00038 0.00010 142 3PX -0.00028 0.00004 -0.00005 -0.00023 0.00015 143 3PY -0.00032 -0.00034 -0.00041 -0.00017 0.00013 144 3PZ 0.00024 0.00020 0.00002 -0.00092 0.00045 145 4XX -0.00011 -0.00005 0.00007 -0.00004 0.00000 146 4YY 0.00009 0.00005 -0.00005 -0.00001 0.00003 147 4ZZ -0.00002 -0.00001 0.00001 0.00005 -0.00003 148 4XY -0.00001 0.00002 0.00004 -0.00006 0.00002 149 4XZ 0.00003 0.00001 -0.00002 -0.00001 0.00001 150 4YZ 0.00003 0.00001 -0.00000 -0.00016 0.00010 151 11 C 1S 0.00006 0.00001 -0.00012 0.00001 0.00001 152 2S -0.00019 -0.00009 0.00011 -0.00003 0.00000 153 2PX 0.00027 0.00007 -0.00045 0.00014 -0.00001 154 2PY 0.00008 0.00006 0.00000 0.00013 -0.00004 155 2PZ -0.00014 -0.00007 0.00009 0.00033 -0.00023 156 3S -0.00050 -0.00025 0.00066 -0.00018 -0.00006 157 3PX 0.00019 0.00007 -0.00046 0.00013 0.00002 158 3PY 0.00006 0.00006 0.00017 0.00002 -0.00005 159 3PZ -0.00010 -0.00004 0.00006 0.00020 -0.00017 160 4XX 0.00001 0.00001 0.00000 0.00004 -0.00002 161 4YY -0.00001 -0.00000 0.00000 -0.00001 0.00000 162 4ZZ 0.00000 0.00000 -0.00001 -0.00002 0.00001 163 4XY 0.00001 0.00000 -0.00001 0.00002 -0.00001 164 4XZ -0.00002 -0.00002 0.00000 0.00009 -0.00004 165 4YZ 0.00000 0.00000 -0.00000 -0.00002 0.00001 166 12 H 1S -0.00012 -0.00007 0.00003 -0.00007 0.00000 167 2S 0.00013 0.00003 -0.00008 -0.00002 -0.00000 168 13 H 1S 0.00012 0.00006 -0.00010 -0.00029 0.00019 169 2S 0.00022 0.00011 -0.00015 -0.00017 0.00010 170 14 H 1S 0.00000 -0.00003 -0.00008 0.00036 -0.00017 171 2S 0.00016 0.00003 -0.00013 0.00030 -0.00010 172 15 O 1S 0.00023 0.00014 -0.00010 0.00007 -0.00000 173 2S -0.00045 -0.00012 0.00039 -0.00013 -0.00001 174 2PX 0.00143 0.00084 -0.00063 0.00067 -0.00015 175 2PY -0.00117 -0.00051 0.00053 -0.00031 -0.00010 176 2PZ -0.00041 -0.00024 0.00004 0.00100 -0.00073 177 3S -0.00134 -0.00039 0.00062 -0.00038 0.00007 178 3PX 0.00106 0.00053 -0.00049 0.00056 -0.00015 179 3PY -0.00105 -0.00039 0.00053 -0.00024 -0.00009 180 3PZ -0.00033 -0.00021 0.00003 0.00109 -0.00071 181 4XX 0.00014 0.00005 -0.00006 0.00004 -0.00001 182 4YY -0.00003 -0.00002 0.00001 -0.00001 -0.00000 183 4ZZ 0.00002 0.00000 0.00001 0.00001 -0.00000 184 4XY -0.00003 0.00001 0.00003 -0.00001 -0.00000 185 4XZ -0.00002 -0.00001 0.00001 -0.00003 0.00000 186 4YZ 0.00001 0.00000 -0.00001 0.00001 -0.00001 187 16 H 1S -0.00035 0.00011 0.00074 -0.00029 -0.00006 188 2S -0.00050 0.00025 0.00142 -0.00051 -0.00012 189 17 H 1S 0.00137 0.00036 -0.00093 0.00040 -0.00002 190 2S 0.00338 0.00022 -0.00133 0.00076 -0.00032 191 18 H 1S 0.00732 0.00040 -0.00690 0.00195 -0.00001 192 2S 0.00755 0.00086 -0.00395 0.00177 -0.00046 193 19 C 1S -0.00677 0.00143 0.00180 -0.00056 0.00111 194 2S 0.01152 -0.00303 -0.00324 0.00109 -0.00200 195 2PX 0.00446 -0.00134 0.01092 -0.00174 -0.00107 196 2PY -0.00576 0.00536 0.00498 -0.00231 0.00301 197 2PZ 0.00313 -0.00226 -0.00130 -0.00357 0.01078 198 3S 0.01520 -0.00194 -0.00483 0.00251 -0.00232 199 3PX 0.00268 -0.00065 0.00488 -0.00062 -0.00063 200 3PY -0.00424 0.00130 0.00304 -0.00149 0.00147 201 3PZ 0.00154 -0.00114 -0.00050 -0.00062 0.00484 202 4XX -0.00015 0.00019 0.00021 0.00004 -0.00014 203 4YY 0.00002 -0.00044 0.00022 -0.00016 -0.00000 204 4ZZ -0.00016 0.00019 -0.00037 0.00005 0.00019 205 4XY 0.00017 0.00016 0.00083 -0.00012 -0.00015 206 4XZ -0.00021 0.00003 -0.00026 0.00047 -0.00061 207 4YZ 0.00010 0.00011 -0.00023 -0.00043 0.00054 208 20 H 1S 0.00426 0.00032 0.00734 -0.00102 -0.00175 209 2S 0.00078 0.00093 0.00781 -0.00132 -0.00111 210 21 H 1S -0.00024 0.00097 -0.00498 0.00373 -0.00570 211 2S -0.00312 0.00106 -0.00371 0.00473 -0.00517 212 22 H 1S 0.00313 -0.00044 -0.00412 -0.00267 0.00682 213 2S 0.00011 0.00059 -0.00330 -0.00450 0.00706 214 23 H 1S -0.00412 0.00251 -0.00185 -0.00635 -0.00048 215 2S -0.00377 0.00291 -0.00477 -0.00638 0.00124 216 24 H 1S 0.00769 0.00093 0.00349 -0.00102 -0.00293 217 2S 0.00791 0.00128 0.00007 0.00032 -0.00225 218 25 H 1S -0.00090 0.00127 -0.00081 -0.00016 0.00035 219 2S -0.00114 0.00164 -0.00193 -0.00241 0.00073 220 26 H 1S 0.00065 0.00073 -0.00010 0.00028 -0.00060 221 2S 0.00171 0.00077 -0.00051 -0.00011 -0.00109 222 27 H 1S -0.00033 0.00004 0.00013 0.00011 0.00004 223 2S 0.00026 0.00028 0.00034 0.00010 0.00014 224 28 C 1S 0.00005 0.00003 0.00002 -0.00007 -0.00004 225 2S -0.00014 -0.00007 -0.00001 0.00014 0.00007 226 2PX -0.00015 -0.00008 -0.00008 0.00019 0.00016 227 2PY -0.00000 -0.00025 0.00011 -0.00012 0.00000 228 2PZ 0.00010 0.00004 0.00004 0.00013 0.00000 229 3S -0.00009 -0.00007 0.00007 0.00056 0.00027 230 3PX -0.00010 0.00000 -0.00003 0.00009 0.00021 231 3PY -0.00006 -0.00021 0.00000 -0.00005 0.00005 232 3PZ -0.00001 0.00005 -0.00007 0.00004 0.00000 233 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 234 4YY -0.00001 -0.00001 -0.00001 0.00003 0.00001 235 4ZZ -0.00000 0.00001 0.00000 -0.00002 -0.00001 236 4XY -0.00000 -0.00001 -0.00000 -0.00004 -0.00001 237 4XZ -0.00001 0.00002 0.00000 -0.00004 -0.00001 238 4YZ 0.00001 -0.00001 -0.00001 0.00005 0.00001 239 29 H 1S -0.00004 -0.00015 0.00001 -0.00004 0.00003 240 2S -0.00007 -0.00004 0.00002 -0.00029 -0.00012 241 30 H 1S -0.00005 0.00006 0.00003 -0.00021 -0.00008 242 2S -0.00007 0.00018 -0.00000 -0.00049 -0.00012 243 31 H 1S 0.00009 -0.00008 0.00005 0.00021 0.00003 244 2S 0.00018 -0.00009 0.00002 0.00031 0.00009 245 32 H 1S 0.00002 -0.00006 0.00004 -0.00010 -0.00004 246 2S -0.00003 -0.00002 0.00002 -0.00002 -0.00003 247 33 H 1S -0.00002 -0.00006 -0.00006 0.00039 0.00014 248 2S -0.00004 -0.00013 -0.00014 0.00079 0.00026 249 34 H 1S -0.00005 0.00014 0.00001 -0.00011 -0.00003 250 2S -0.00009 0.00024 0.00003 -0.00023 -0.00007 91 92 93 94 95 91 7 C 1S 2.05307 92 2S -0.06284 0.32496 93 2PX 0.00376 -0.00433 0.40639 94 2PY 0.00654 -0.00474 -0.01268 0.43101 95 2PZ -0.00187 0.00250 -0.01049 -0.01368 0.34031 96 3S -0.17237 0.26889 0.00502 -0.07628 0.00653 97 3PX 0.00376 -0.00587 0.12420 0.03783 0.01836 98 3PY 0.01099 -0.03235 0.00484 0.14296 0.00903 99 3PZ -0.00251 0.00692 0.01813 0.00743 0.22791 100 4XX -0.01671 -0.00343 0.00003 0.01252 -0.00425 101 4YY -0.02011 0.00172 0.00256 -0.02149 0.00519 102 4ZZ -0.01174 -0.01508 0.00100 0.00111 -0.00024 103 4XY 0.00077 -0.00152 0.01496 0.00214 -0.00272 104 4XZ 0.00097 -0.00230 -0.00372 -0.00391 -0.00629 105 4YZ 0.00144 -0.00289 -0.00169 0.00500 0.00775 106 8 C 1S 0.01531 -0.03075 -0.06345 -0.03872 0.01737 107 2S -0.03011 0.05506 0.13079 0.08373 -0.03628 108 2PX 0.06282 -0.12976 -0.22158 -0.12993 0.08183 109 2PY 0.03565 -0.07370 -0.13176 -0.05726 0.05199 110 2PZ -0.01694 0.03519 0.08189 0.05130 0.09886 111 3S -0.00443 0.02972 0.13547 0.05864 -0.03307 112 3PX 0.01235 -0.03855 -0.04862 -0.06943 0.03355 113 3PY 0.00394 -0.01253 -0.03806 0.00921 0.01829 114 3PZ -0.00292 0.00918 0.02756 0.02226 0.06368 115 4XX -0.00456 0.00747 -0.00327 0.00900 -0.00470 116 4YY 0.00052 -0.00271 -0.00264 -0.01234 0.00150 117 4ZZ 0.00134 -0.00312 -0.00363 -0.00170 0.00579 118 4XY -0.00483 0.00894 0.00891 -0.00252 -0.00378 119 4XZ 0.00209 -0.00383 -0.00401 -0.00386 -0.01068 120 4YZ 0.00111 -0.00186 -0.00268 0.00170 -0.00287 121 9 C 1S -0.00331 0.00803 0.01381 0.00202 -0.00271 122 2S 0.00763 -0.01725 -0.03470 -0.00531 0.00699 123 2PX -0.01551 0.03459 0.05326 0.00741 -0.01689 124 2PY 0.00043 -0.00301 -0.00604 0.00375 -0.00514 125 2PZ 0.00289 -0.00627 -0.01519 -0.00678 -0.03198 126 3S -0.00190 0.00117 -0.04091 0.03481 0.00152 127 3PX -0.00497 0.01114 0.03168 -0.02437 -0.01150 128 3PY 0.00382 -0.00413 -0.04249 0.00290 -0.00189 129 3PZ 0.00046 -0.00189 -0.00933 -0.00402 -0.05334 130 4XX -0.00141 0.00315 0.00772 0.00324 -0.00334 131 4YY 0.00085 -0.00154 -0.00337 -0.00225 0.00153 132 4ZZ -0.00025 0.00064 0.00047 0.00035 0.00076 133 4XY -0.00154 0.00314 0.00498 0.00232 -0.00156 134 4XZ 0.00050 -0.00107 -0.00319 -0.00173 -0.00354 135 4YZ 0.00010 -0.00021 0.00003 0.00030 0.00206 136 10 C 1S -0.00136 0.00287 0.00589 0.00269 -0.00151 137 2S 0.00248 -0.00555 -0.01056 -0.00510 0.00278 138 2PX -0.00192 0.00514 0.01011 -0.00187 -0.00765 139 2PY 0.00753 -0.01335 -0.02450 -0.00068 -0.00033 140 2PZ -0.00068 0.00084 -0.00413 -0.00446 -0.03214 141 3S 0.00744 -0.01290 -0.05379 -0.03042 0.01447 142 3PX -0.00424 0.00646 0.00356 0.01500 -0.00600 143 3PY 0.00789 -0.01280 -0.03025 0.00561 0.00163 144 3PZ -0.00037 0.00063 0.00076 -0.00625 -0.01722 145 4XX 0.00048 -0.00109 -0.00021 0.00334 -0.00073 146 4YY -0.00064 0.00114 -0.00021 -0.00308 -0.00016 147 4ZZ -0.00012 0.00018 0.00060 0.00039 0.00076 148 4XY -0.00058 0.00106 0.00222 0.00085 -0.00111 149 4XZ -0.00003 0.00009 -0.00035 -0.00089 -0.00044 150 4YZ 0.00021 -0.00040 -0.00077 0.00004 -0.00243 151 11 C 1S -0.00061 0.00108 0.00032 -0.00270 0.00039 152 2S 0.00126 -0.00260 -0.00198 0.00575 -0.00055 153 2PX -0.00125 0.00196 -0.00353 -0.01070 0.00355 154 2PY 0.00011 -0.00068 -0.00054 -0.00221 0.00135 155 2PZ 0.00018 -0.00019 0.00185 0.00313 0.00540 156 3S 0.00579 -0.00958 0.00142 0.01542 -0.00303 157 3PX -0.00176 0.00241 -0.00467 -0.00756 0.00276 158 3PY -0.00148 0.00284 0.00745 0.00158 -0.00127 159 3PZ 0.00052 -0.00082 0.00020 0.00154 0.00249 160 4XX 0.00002 -0.00002 0.00014 -0.00048 0.00059 161 4YY -0.00002 0.00005 0.00014 0.00030 -0.00016 162 4ZZ 0.00003 -0.00016 -0.00046 -0.00014 -0.00033 163 4XY -0.00011 0.00018 -0.00011 -0.00045 0.00028 164 4XZ 0.00001 -0.00005 0.00022 0.00041 0.00160 165 4YZ 0.00003 -0.00008 -0.00015 -0.00004 -0.00039 166 12 H 1S 0.00038 -0.00041 0.00026 0.00353 -0.00056 167 2S -0.00143 0.00327 0.00344 -0.00250 -0.00021 168 13 H 1S -0.00003 -0.00027 -0.00263 -0.00319 -0.00505 169 2S -0.00087 0.00140 -0.00143 -0.00710 -0.00363 170 14 H 1S -0.00008 -0.00018 -0.00057 -0.00153 0.00639 171 2S -0.00090 0.00145 0.00029 -0.00576 0.00587 172 15 O 1S -0.00140 0.00263 0.00128 -0.00848 0.00107 173 2S 0.00385 -0.00762 -0.00286 0.01839 -0.00234 174 2PX -0.01199 0.02176 0.01283 -0.04829 0.00849 175 2PY 0.00401 -0.00893 0.00044 0.03148 -0.00243 176 2PZ 0.00151 -0.00229 0.00075 0.00651 0.01673 177 3S 0.00356 -0.00692 -0.00425 0.04875 -0.00666 178 3PX -0.00598 0.01192 0.00581 -0.03321 0.00761 179 3PY 0.00182 -0.00429 0.00484 0.03042 -0.00264 180 3PZ 0.00074 -0.00123 0.00174 0.00432 0.01898 181 4XX -0.00046 0.00098 0.00041 -0.00442 0.00040 182 4YY 0.00060 -0.00109 -0.00055 0.00098 -0.00006 183 4ZZ 0.00042 -0.00072 -0.00030 -0.00015 0.00024 184 4XY 0.00034 -0.00061 -0.00036 0.00114 -0.00021 185 4XZ 0.00014 -0.00027 -0.00022 0.00064 -0.00066 186 4YZ -0.00009 0.00018 0.00011 -0.00039 0.00010 187 16 H 1S -0.00876 0.01789 0.03375 0.01359 -0.00825 188 2S -0.01203 0.02472 0.06329 0.02565 -0.01549 189 17 H 1S 0.01120 -0.02670 -0.02939 -0.03849 0.01171 190 2S 0.01505 -0.03458 -0.05077 -0.09649 0.02311 191 18 H 1S -0.06102 0.11488 0.01672 -0.26672 0.03957 192 2S -0.00601 0.01443 0.00843 -0.20016 0.02692 193 19 C 1S -0.00373 0.00768 -0.00923 0.01181 -0.00023 194 2S 0.00771 -0.01630 0.02102 -0.02516 0.00043 195 2PX 0.00868 -0.02136 0.01696 -0.02050 -0.00724 196 2PY -0.01312 0.03326 -0.03939 0.04119 -0.00444 197 2PZ 0.00064 -0.00191 -0.00303 -0.00780 -0.03366 198 3S 0.01396 -0.03309 0.03899 -0.07534 0.00578 199 3PX 0.00430 -0.01287 0.00276 -0.01535 -0.00027 200 3PY -0.00918 0.02274 -0.03372 0.04712 -0.00208 201 3PZ 0.00056 -0.00122 0.00431 -0.00297 0.00253 202 4XX -0.00058 0.00138 -0.00160 0.00208 0.00168 203 4YY 0.00020 -0.00061 -0.00079 0.00023 -0.00252 204 4ZZ -0.00053 0.00123 -0.00097 0.00084 0.00117 205 4XY 0.00169 -0.00321 0.00650 -0.00521 -0.00140 206 4XZ -0.00023 0.00044 0.00040 0.00152 0.00678 207 4YZ -0.00039 0.00078 -0.00310 -0.00080 -0.01052 208 20 H 1S 0.00585 -0.01176 0.01360 -0.01729 -0.00173 209 2S 0.00574 -0.01059 0.02937 -0.01567 -0.00415 210 21 H 1S -0.00410 0.01075 -0.00499 0.01686 0.04459 211 2S -0.00670 0.01523 -0.01062 0.03416 0.07867 212 22 H 1S -0.00422 0.01060 -0.02080 0.00387 -0.04144 213 2S -0.00651 0.01467 -0.03764 0.01037 -0.07562 214 23 H 1S -0.00682 0.01421 -0.02502 -0.00367 -0.02900 215 2S -0.01203 0.02409 -0.05453 -0.01336 -0.05119 216 24 H 1S 0.00861 -0.01868 0.02094 0.00551 -0.01601 217 2S 0.00512 -0.01235 0.02487 -0.01771 -0.00864 218 25 H 1S -0.00085 0.00016 -0.00152 0.00112 0.00620 219 2S -0.00350 0.00620 -0.01978 -0.01081 -0.02430 220 26 H 1S 0.00038 -0.00088 -0.00072 0.00218 -0.00215 221 2S 0.00196 -0.00372 0.00254 0.00257 -0.00920 222 27 H 1S -0.00017 -0.00002 -0.00032 0.00015 -0.00028 223 2S 0.00103 -0.00225 0.00212 0.00064 -0.00708 224 28 C 1S 0.00004 -0.00015 -0.00004 -0.00008 -0.00078 225 2S -0.00019 0.00038 -0.00019 0.00037 0.00208 226 2PX -0.00015 0.00054 0.00005 0.00023 0.00271 227 2PY 0.00017 -0.00013 0.00059 -0.00059 -0.00068 228 2PZ -0.00009 0.00032 -0.00025 0.00060 0.00096 229 3S 0.00020 -0.00006 0.00155 -0.00058 0.00246 230 3PX -0.00005 0.00028 0.00007 -0.00094 -0.00061 231 3PY -0.00013 0.00033 -0.00006 -0.00098 0.00097 232 3PZ -0.00023 0.00055 -0.00056 0.00061 0.00030 233 4XX -0.00001 -0.00001 -0.00003 -0.00002 -0.00008 234 4YY -0.00004 0.00011 -0.00007 0.00007 0.00028 235 4ZZ 0.00000 -0.00003 0.00001 0.00001 -0.00010 236 4XY 0.00002 -0.00004 0.00002 -0.00008 -0.00018 237 4XZ 0.00005 -0.00015 0.00015 -0.00010 -0.00030 238 4YZ -0.00008 0.00018 -0.00024 0.00010 0.00039 239 29 H 1S 0.00007 0.00005 0.00020 -0.00028 0.00012 240 2S 0.00006 -0.00001 -0.00017 0.00109 -0.00141 241 30 H 1S 0.00024 -0.00079 0.00062 -0.00053 -0.00198 242 2S 0.00042 -0.00130 0.00091 -0.00102 -0.00490 243 31 H 1S -0.00022 0.00059 -0.00065 0.00059 0.00155 244 2S -0.00037 0.00103 -0.00151 0.00069 0.00149 245 32 H 1S 0.00004 -0.00014 0.00002 -0.00022 -0.00087 246 2S -0.00008 0.00010 -0.00031 0.00003 -0.00036 247 33 H 1S -0.00042 0.00107 -0.00103 0.00092 0.00325 248 2S -0.00097 0.00231 -0.00258 0.00170 0.00682 249 34 H 1S 0.00029 -0.00086 0.00097 -0.00025 -0.00086 250 2S 0.00052 -0.00154 0.00171 -0.00046 -0.00188 96 97 98 99 100 96 3S 0.28164 97 3PX -0.01949 0.07242 98 3PY -0.05213 0.02860 0.06331 99 3PZ 0.00774 0.01508 0.00778 0.15970 100 4XX -0.00518 0.00059 0.00381 -0.00245 0.00131 101 4YY 0.00599 -0.00052 -0.00675 0.00261 -0.00096 102 4ZZ -0.01133 0.00043 0.00179 0.00002 0.00022 103 4XY -0.00164 0.00262 0.00020 -0.00047 0.00022 104 4XZ -0.00101 -0.00167 -0.00130 -0.00551 -0.00004 105 4YZ -0.00304 0.00076 0.00230 0.00502 0.00015 106 8 C 1S 0.00664 -0.01463 -0.00526 0.00343 -0.00451 107 2S 0.00414 0.04376 0.01622 -0.01024 0.00781 108 2PX -0.09641 -0.04947 -0.02625 0.02427 0.00310 109 2PY -0.06833 -0.06881 -0.02073 0.02547 -0.00890 110 2PZ 0.02631 0.03233 0.01720 0.05469 0.00344 111 3S -0.00882 0.01783 0.00786 -0.00384 0.00806 112 3PX -0.01836 -0.00340 -0.00639 0.00848 0.00021 113 3PY -0.01207 -0.01392 0.00087 0.00889 -0.00257 114 3PZ 0.00451 0.01026 0.00631 0.03313 0.00210 115 4XX 0.00712 0.00073 0.00304 -0.00353 0.00043 116 4YY -0.00276 -0.00403 -0.00506 0.00092 -0.00071 117 4ZZ -0.00080 -0.00079 0.00027 0.00369 -0.00033 118 4XY 0.00941 0.00221 -0.00115 -0.00210 -0.00033 119 4XZ -0.00309 -0.00275 -0.00177 -0.00844 0.00015 120 4YZ -0.00144 -0.00041 0.00078 -0.00185 0.00011 121 9 C 1S -0.00581 0.00241 -0.00349 0.00009 -0.00188 122 2S -0.00122 -0.01027 0.00349 0.00142 0.00386 123 2PX 0.07211 -0.00386 0.01157 -0.00960 -0.00861 124 2PY 0.02833 0.03888 0.02923 -0.01882 0.00292 125 2PZ -0.01721 -0.01449 -0.01217 -0.04282 0.00527 126 3S 0.03369 -0.03461 0.00082 0.00607 0.00228 127 3PX 0.03142 -0.00670 0.00062 -0.00873 -0.00158 128 3PY -0.00984 0.01302 0.01156 -0.01296 0.00118 129 3PZ -0.00377 -0.01196 -0.00900 -0.05255 0.00338 130 4XX 0.00318 0.00402 0.00213 -0.00185 0.00028 131 4YY -0.00170 -0.00242 -0.00163 0.00094 -0.00044 132 4ZZ 0.00042 -0.00011 -0.00015 0.00059 -0.00014 133 4XY 0.00572 0.00279 0.00137 -0.00091 -0.00018 134 4XZ -0.00146 -0.00185 -0.00108 -0.00189 -0.00014 135 4YZ -0.00073 0.00002 0.00009 0.00095 0.00011 136 10 C 1S 0.00395 0.00928 0.00779 -0.00291 0.00024 137 2S -0.00657 -0.01863 -0.01915 0.00639 -0.00087 138 2PX 0.00315 0.00552 0.03937 -0.01036 0.00130 139 2PY -0.05724 -0.01972 0.00520 0.00012 -0.00148 140 2PZ 0.00796 -0.00132 -0.00940 -0.01595 0.00081 141 3S -0.02479 -0.03409 -0.02659 0.01034 -0.00175 142 3PX 0.01583 -0.00732 0.00351 -0.00064 -0.00046 143 3PY -0.04267 0.00823 0.00627 -0.00396 -0.00054 144 3PZ 0.00356 -0.00155 -0.00231 -0.00816 0.00054 145 4XX -0.00758 0.00761 0.00468 -0.00248 0.00028 146 4YY 0.00757 -0.00681 -0.00325 0.00082 -0.00001 147 4ZZ -0.00023 0.00066 0.00131 0.00097 -0.00005 148 4XY 0.00382 0.00093 -0.00062 -0.00089 -0.00017 149 4XZ 0.00096 -0.00190 -0.00084 -0.00054 -0.00001 150 4YZ -0.00202 0.00035 0.00038 -0.00359 0.00026 151 11 C 1S 0.00675 -0.00560 -0.00565 0.00191 -0.00045 152 2S -0.01443 0.01301 0.01130 -0.00412 0.00085 153 2PX 0.02217 -0.02394 -0.03351 0.01058 -0.00162 154 2PY 0.00813 -0.00307 0.00267 0.00094 0.00071 155 2PZ -0.00494 0.00570 0.00605 0.00328 -0.00017 156 3S -0.04888 0.04861 0.03422 -0.01439 0.00250 157 3PX 0.01925 -0.02354 -0.02441 0.00888 -0.00145 158 3PY 0.00810 -0.00016 0.00399 -0.00011 0.00022 159 3PZ -0.00455 0.00490 0.00412 0.00212 -0.00013 160 4XX 0.00071 -0.00047 -0.00010 0.00044 0.00002 161 4YY -0.00056 0.00001 -0.00011 -0.00008 -0.00008 162 4ZZ 0.00031 -0.00037 -0.00077 -0.00005 0.00003 163 4XY 0.00181 -0.00046 -0.00106 0.00035 0.00004 164 4XZ -0.00036 0.00032 0.00014 0.00101 -0.00005 165 4YZ -0.00017 -0.00005 0.00002 -0.00039 0.00002 166 12 H 1S -0.01055 0.00500 0.00095 -0.00106 -0.00046 167 2S 0.00434 -0.00886 -0.00496 0.00235 -0.00113 168 13 H 1S 0.00528 -0.00436 -0.00658 -0.00242 0.00030 169 2S 0.01354 -0.01006 -0.01076 0.00180 -0.00015 170 14 H 1S 0.00554 -0.00286 -0.00584 0.00571 -0.00014 171 2S 0.01383 -0.00951 -0.01069 0.00514 -0.00020 172 15 O 1S 0.00959 -0.01261 -0.01301 0.00430 -0.00033 173 2S -0.01584 0.02125 0.02358 -0.00751 0.00089 174 2PX 0.13646 -0.09016 -0.07737 0.03504 -0.00171 175 2PY -0.05738 0.07073 -0.00112 -0.00736 -0.00043 176 2PZ -0.01657 0.01291 0.01977 0.03048 -0.00131 177 3S -0.03741 0.03602 0.05430 -0.01488 0.00090 178 3PX 0.08363 -0.06036 -0.04751 0.02383 -0.00138 179 3PY -0.04223 0.05360 0.00944 -0.00664 -0.00023 180 3PZ -0.00919 0.00897 0.01175 0.02706 -0.00109 181 4XX 0.00646 -0.00402 -0.00339 0.00137 -0.00003 182 4YY -0.00403 0.00247 -0.00093 -0.00010 -0.00003 183 4ZZ -0.00017 -0.00062 -0.00005 -0.00023 0.00007 184 4XY 0.00106 -0.00080 -0.00160 0.00060 -0.00001 185 4XZ -0.00160 0.00095 0.00109 0.00002 -0.00002 186 4YZ 0.00042 -0.00019 0.00065 0.00073 -0.00001 187 16 H 1S 0.05410 0.02134 0.02169 -0.00723 -0.00192 188 2S 0.04995 0.03484 0.02024 -0.00954 -0.00206 189 17 H 1S -0.04103 -0.03303 -0.02125 0.00923 -0.00397 190 2S -0.03367 -0.04382 -0.03900 0.01290 -0.00635 191 18 H 1S 0.13757 -0.01391 -0.09421 0.01716 -0.01020 192 2S 0.02432 0.00779 -0.04916 0.00363 -0.00831 193 19 C 1S 0.00805 -0.00444 0.00223 0.00051 0.00107 194 2S -0.01692 0.00660 -0.00960 0.00035 -0.00174 195 2PX -0.04328 0.01250 -0.00781 -0.00782 -0.00023 196 2PY 0.01939 -0.04856 -0.01177 0.00557 0.00422 197 2PZ 0.00930 -0.00355 -0.00084 -0.03565 -0.00066 198 3S -0.02436 0.02081 -0.01643 -0.00034 -0.00462 199 3PX -0.02092 0.00516 -0.00397 -0.00268 -0.00046 200 3PY 0.01082 -0.02640 0.00122 0.00348 0.00391 201 3PZ 0.00342 0.00148 0.00074 -0.00379 -0.00056 202 4XX 0.00034 -0.00122 -0.00012 0.00161 0.00004 203 4YY -0.00135 0.00113 0.00067 -0.00222 0.00018 204 4ZZ 0.00215 -0.00129 -0.00006 0.00094 0.00001 205 4XY -0.00305 0.00048 -0.00223 -0.00045 0.00014 206 4XZ 0.00032 0.00106 0.00100 0.00531 -0.00007 207 4YZ 0.00125 -0.00212 -0.00089 -0.00771 0.00007 208 20 H 1S -0.02800 -0.00746 -0.01615 0.00245 0.00079 209 2S -0.02265 -0.00488 -0.01469 0.00207 0.00133 210 21 H 1S 0.01123 -0.00376 0.00342 0.03925 -0.00018 211 2S 0.01301 -0.00042 0.01162 0.06205 -0.00032 212 22 H 1S 0.01836 -0.01956 -0.00531 -0.03361 0.00024 213 2S 0.02102 -0.02500 -0.00387 -0.05801 0.00086 214 23 H 1S 0.03575 -0.00392 0.00047 -0.02936 -0.00208 215 2S 0.04580 -0.01560 -0.00698 -0.04779 -0.00239 216 24 H 1S -0.03502 -0.00760 0.00663 -0.00738 -0.00003 217 2S -0.02082 -0.00141 -0.00164 -0.00412 -0.00199 218 25 H 1S 0.01219 0.00075 0.00349 -0.00097 -0.00067 219 2S 0.02036 -0.00834 -0.00322 -0.02427 -0.00079 220 26 H 1S -0.00843 -0.00317 -0.00050 0.00087 -0.00026 221 2S -0.01191 -0.00285 0.00054 -0.00370 -0.00025 222 27 H 1S 0.00288 0.00075 0.00090 -0.00008 0.00007 223 2S -0.00061 0.00097 0.00150 -0.00460 -0.00008 224 28 C 1S 0.00016 -0.00073 0.00013 -0.00047 0.00003 225 2S 0.00139 0.00113 0.00040 0.00128 -0.00003 226 2PX 0.00032 0.00324 -0.00089 0.00131 -0.00004 227 2PY -0.00234 0.00171 -0.00016 -0.00014 0.00005 228 2PZ 0.00042 -0.00045 0.00037 0.00129 -0.00007 229 3S 0.00328 0.00255 0.00088 0.00148 -0.00021 230 3PX 0.00126 0.00173 -0.00059 -0.00088 -0.00009 231 3PY -0.00028 0.00129 -0.00015 0.00054 -0.00001 232 3PZ 0.00035 0.00015 0.00033 0.00023 -0.00007 233 4XX 0.00000 -0.00003 0.00001 -0.00005 0.00000 234 4YY 0.00009 0.00005 -0.00005 0.00024 -0.00001 235 4ZZ -0.00006 -0.00005 0.00006 -0.00010 0.00000 236 4XY -0.00031 0.00015 -0.00010 -0.00019 0.00001 237 4XZ -0.00017 0.00009 0.00001 -0.00037 0.00001 238 4YZ 0.00037 -0.00023 0.00006 0.00044 -0.00002 239 29 H 1S -0.00167 0.00235 -0.00071 -0.00011 0.00003 240 2S -0.00343 0.00086 -0.00090 -0.00093 0.00017 241 30 H 1S -0.00047 -0.00035 0.00041 -0.00198 0.00008 242 2S -0.00157 0.00007 0.00025 -0.00471 0.00013 243 31 H 1S 0.00120 -0.00106 0.00071 0.00214 -0.00009 244 2S 0.00202 -0.00226 0.00043 0.00273 -0.00014 245 32 H 1S 0.00055 -0.00080 0.00040 -0.00049 0.00005 246 2S 0.00117 -0.00082 0.00042 -0.00014 0.00004 247 33 H 1S 0.00245 -0.00081 -0.00002 0.00329 -0.00012 248 2S 0.00497 -0.00118 0.00055 0.00645 -0.00031 249 34 H 1S -0.00056 0.00121 0.00033 -0.00155 0.00005 250 2S -0.00113 0.00197 0.00073 -0.00289 0.00007 101 102 103 104 105 101 4YY 0.00180 102 4ZZ -0.00001 0.00089 103 4XY -0.00014 0.00010 0.00099 104 4XZ 0.00019 -0.00006 -0.00010 0.00071 105 4YZ -0.00024 0.00012 -0.00012 -0.00012 0.00031 106 8 C 1S 0.00068 0.00127 -0.00493 0.00208 0.00108 107 2S -0.00316 -0.00297 0.00939 -0.00391 -0.00181 108 2PX 0.00216 0.00363 -0.01067 0.00360 0.00328 109 2PY 0.01078 0.00217 0.00151 0.00357 -0.00096 110 2PZ -0.00079 -0.00487 0.00385 0.00684 0.00381 111 3S -0.00424 -0.00143 0.01127 -0.00398 -0.00168 112 3PX 0.00223 0.00094 -0.00313 0.00178 0.00100 113 3PY 0.00305 0.00003 0.00039 0.00145 -0.00005 114 3PZ -0.00007 -0.00272 0.00191 0.00487 0.00247 115 4XX -0.00070 -0.00034 -0.00031 0.00014 0.00006 116 4YY 0.00109 0.00009 0.00023 0.00010 -0.00026 117 4ZZ 0.00007 0.00022 -0.00038 -0.00004 0.00020 118 4XY 0.00029 -0.00037 0.00032 0.00004 -0.00024 119 4XZ 0.00004 -0.00001 0.00001 0.00076 -0.00020 120 4YZ -0.00027 0.00015 -0.00021 -0.00010 0.00001 121 9 C 1S 0.00116 -0.00003 0.00095 0.00024 -0.00039 122 2S -0.00220 0.00026 -0.00203 -0.00043 0.00082 123 2PX 0.00455 -0.00132 0.00353 0.00358 -0.00139 124 2PY -0.00176 -0.00087 -0.00086 0.00150 0.00058 125 2PZ -0.00035 -0.00404 0.00175 0.01205 0.00070 126 3S -0.00278 -0.00020 -0.00264 -0.00004 0.00094 127 3PX 0.00157 -0.00070 0.00223 0.00183 -0.00072 128 3PY -0.00073 -0.00062 -0.00178 0.00163 0.00044 129 3PZ -0.00022 -0.00307 0.00152 0.00964 -0.00021 130 4XX -0.00029 -0.00010 0.00023 -0.00021 -0.00007 131 4YY 0.00041 0.00005 0.00003 0.00013 -0.00004 132 4ZZ 0.00006 -0.00002 0.00005 0.00008 0.00001 133 4XY -0.00015 -0.00008 0.00002 -0.00001 -0.00000 134 4XZ 0.00005 0.00015 -0.00011 -0.00018 -0.00014 135 4YZ -0.00001 -0.00004 0.00002 0.00006 0.00008 136 10 C 1S -0.00053 -0.00014 0.00023 -0.00012 0.00002 137 2S 0.00108 0.00020 -0.00020 0.00027 -0.00012 138 2PX -0.00052 -0.00005 0.00022 0.00015 -0.00013 139 2PY 0.00129 0.00060 -0.00012 0.00088 -0.00022 140 2PZ -0.00040 -0.00060 0.00019 0.00237 -0.00102 141 3S 0.00271 0.00034 -0.00110 0.00064 -0.00022 142 3PX -0.00004 -0.00017 0.00046 0.00022 -0.00021 143 3PY 0.00037 0.00034 -0.00087 0.00053 0.00009 144 3PZ -0.00022 -0.00021 0.00012 0.00104 -0.00060 145 4XX -0.00028 0.00001 -0.00018 -0.00001 0.00010 146 4YY 0.00011 -0.00008 0.00015 0.00016 -0.00004 147 4ZZ -0.00003 0.00007 -0.00001 -0.00020 -0.00001 148 4XY 0.00007 -0.00008 0.00015 0.00014 -0.00003 149 4XZ 0.00005 -0.00001 0.00003 0.00004 0.00000 150 4YZ -0.00002 -0.00021 0.00007 0.00064 0.00005 151 11 C 1S 0.00030 -0.00007 0.00024 0.00005 -0.00012 152 2S -0.00063 0.00008 -0.00040 -0.00011 0.00021 153 2PX 0.00107 -0.00006 0.00062 0.00004 -0.00032 154 2PY -0.00036 0.00002 -0.00022 -0.00030 0.00012 155 2PZ -0.00010 0.00032 -0.00023 -0.00106 0.00020 156 3S -0.00207 0.00024 -0.00125 -0.00030 0.00067 157 3PX 0.00106 -0.00001 0.00051 0.00002 -0.00031 158 3PY -0.00022 -0.00004 0.00014 -0.00026 -0.00001 159 3PZ -0.00017 0.00038 -0.00030 -0.00108 0.00005 160 4XX 0.00001 0.00001 -0.00001 -0.00005 0.00001 161 4YY 0.00003 0.00000 0.00003 0.00002 -0.00001 162 4ZZ -0.00003 -0.00001 -0.00001 0.00003 -0.00001 163 4XY -0.00002 -0.00001 -0.00001 -0.00003 0.00001 164 4XZ 0.00001 0.00003 -0.00001 -0.00013 0.00005 165 4YZ -0.00001 -0.00001 -0.00000 0.00004 0.00000 166 12 H 1S 0.00017 0.00006 0.00011 0.00009 -0.00004 167 2S 0.00081 -0.00003 0.00060 0.00015 -0.00026 168 13 H 1S -0.00007 -0.00020 0.00007 0.00066 -0.00017 169 2S 0.00018 -0.00003 0.00011 0.00007 -0.00033 170 14 H 1S 0.00002 0.00015 -0.00009 -0.00070 0.00016 171 2S 0.00031 -0.00013 0.00018 -0.00007 0.00015 172 15 O 1S 0.00051 -0.00012 -0.00007 0.00006 -0.00011 173 2S -0.00124 0.00022 -0.00009 -0.00013 0.00030 174 2PX 0.00224 -0.00035 0.00178 -0.00103 -0.00114 175 2PY -0.00104 0.00017 -0.00177 -0.00050 0.00036 176 2PZ -0.00051 0.00205 -0.00113 -0.00502 -0.00077 177 3S -0.00217 0.00032 0.00008 -0.00014 0.00047 178 3PX 0.00171 -0.00008 0.00111 -0.00073 -0.00074 179 3PY -0.00106 0.00014 -0.00108 -0.00049 0.00031 180 3PZ -0.00029 0.00156 -0.00086 -0.00411 -0.00040 181 4XX 0.00015 -0.00002 0.00003 -0.00004 -0.00007 182 4YY -0.00002 0.00003 -0.00009 0.00000 0.00001 183 4ZZ -0.00002 0.00000 0.00001 0.00006 0.00004 184 4XY -0.00005 0.00004 -0.00000 -0.00003 -0.00001 185 4XZ -0.00005 0.00006 -0.00004 -0.00011 -0.00004 186 4YZ -0.00000 0.00003 -0.00001 -0.00008 -0.00004 187 16 H 1S 0.00000 -0.00056 0.00079 0.00016 -0.00025 188 2S -0.00022 -0.00075 0.00185 -0.00003 -0.00044 189 17 H 1S 0.00733 0.00059 0.00446 0.00024 -0.00205 190 2S 0.00945 0.00097 0.00164 0.00132 -0.00186 191 18 H 1S 0.01595 -0.00571 -0.00208 0.00123 -0.00360 192 2S 0.01286 -0.00137 -0.00220 0.00190 -0.00225 193 19 C 1S -0.00181 -0.00029 0.00116 -0.00047 0.00006 194 2S 0.00343 0.00045 -0.00209 0.00077 -0.00015 195 2PX 0.00279 -0.00019 -0.00309 0.00028 0.00017 196 2PY -0.00903 0.00010 0.00589 -0.00189 0.00074 197 2PZ 0.00100 0.00011 -0.00031 -0.00081 0.00064 198 3S 0.00760 0.00091 -0.00329 0.00169 -0.00063 199 3PX 0.00181 -0.00003 -0.00206 0.00025 0.00014 200 3PY -0.00668 -0.00025 0.00235 -0.00131 0.00086 201 3PZ 0.00080 0.00004 0.00002 -0.00066 0.00070 202 4XX -0.00020 -0.00002 0.00009 -0.00006 0.00004 203 4YY 0.00008 -0.00008 -0.00030 0.00009 -0.00002 204 4ZZ -0.00021 0.00004 0.00022 -0.00010 0.00004 205 4XY 0.00003 0.00013 0.00034 -0.00000 -0.00007 206 4XZ 0.00001 0.00001 -0.00003 -0.00011 0.00008 207 4YZ -0.00011 -0.00007 0.00005 0.00037 -0.00021 208 20 H 1S 0.00003 0.00031 0.00040 -0.00015 -0.00000 209 2S -0.00054 0.00038 0.00223 -0.00048 -0.00021 210 21 H 1S -0.00131 0.00020 0.00093 -0.00055 0.00026 211 2S -0.00174 0.00014 0.00075 -0.00201 0.00129 212 22 H 1S -0.00142 -0.00001 0.00104 0.00029 -0.00009 213 2S -0.00232 -0.00038 0.00100 0.00150 -0.00090 214 23 H 1S 0.00053 -0.00017 -0.00143 0.00079 -0.00058 215 2S 0.00074 -0.00084 -0.00230 0.00218 -0.00109 216 24 H 1S 0.00064 0.00038 0.00085 -0.00017 -0.00057 217 2S 0.00294 0.00009 -0.00001 0.00023 -0.00077 218 25 H 1S 0.00017 0.00009 -0.00031 -0.00014 0.00037 219 2S 0.00032 -0.00030 -0.00076 0.00096 -0.00045 220 26 H 1S 0.00005 0.00002 -0.00005 -0.00040 -0.00010 221 2S 0.00018 0.00009 0.00000 -0.00021 -0.00033 222 27 H 1S -0.00008 -0.00006 0.00003 -0.00002 -0.00002 223 2S 0.00009 -0.00002 0.00006 0.00029 -0.00018 224 28 C 1S -0.00003 -0.00002 -0.00000 -0.00001 -0.00002 225 2S 0.00003 0.00001 -0.00001 -0.00002 0.00005 226 2PX 0.00005 0.00004 0.00005 0.00005 0.00007 227 2PY 0.00001 0.00003 0.00002 -0.00001 0.00002 228 2PZ 0.00008 -0.00002 -0.00003 0.00008 -0.00002 229 3S 0.00026 -0.00002 -0.00005 0.00020 0.00003 230 3PX 0.00012 -0.00000 -0.00001 0.00017 -0.00002 231 3PY 0.00005 0.00001 -0.00005 -0.00002 0.00005 232 3PZ 0.00001 -0.00002 -0.00001 0.00002 -0.00001 233 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 234 4YY 0.00001 -0.00000 -0.00001 0.00001 0.00000 235 4ZZ -0.00001 -0.00000 0.00000 -0.00001 -0.00000 236 4XY -0.00001 0.00000 0.00001 -0.00001 -0.00000 237 4XZ -0.00003 0.00000 0.00002 -0.00001 -0.00000 238 4YZ 0.00003 -0.00001 -0.00003 0.00001 0.00000 239 29 H 1S 0.00000 0.00004 0.00004 -0.00001 0.00003 240 2S -0.00021 0.00005 0.00016 -0.00011 -0.00000 241 30 H 1S -0.00013 0.00001 0.00005 -0.00009 -0.00001 242 2S -0.00023 0.00001 0.00013 -0.00008 -0.00005 243 31 H 1S 0.00014 -0.00003 -0.00010 0.00006 0.00000 244 2S 0.00024 -0.00005 -0.00018 0.00015 -0.00002 245 32 H 1S -0.00002 -0.00001 -0.00001 -0.00002 -0.00001 246 2S -0.00002 -0.00003 -0.00001 -0.00001 -0.00001 247 33 H 1S 0.00018 -0.00003 -0.00011 0.00012 0.00003 248 2S 0.00038 -0.00007 -0.00028 0.00017 0.00008 249 34 H 1S -0.00012 0.00002 0.00011 -0.00005 0.00001 250 2S -0.00019 0.00004 0.00018 -0.00010 0.00001 106 107 108 109 110 106 8 C 1S 2.05342 107 2S -0.06669 0.33744 108 2PX -0.00160 0.00229 0.42777 109 2PY -0.00007 -0.00624 -0.00886 0.42478 110 2PZ 0.00033 0.00052 -0.02154 -0.01716 0.30773 111 3S -0.16686 0.26541 -0.03708 0.00288 0.00570 112 3PX 0.00374 -0.00828 0.13774 -0.01011 0.01169 113 3PY -0.00747 0.02492 0.00064 0.13112 0.01056 114 3PZ 0.00049 -0.00235 0.01019 0.01168 0.19042 115 4XX -0.01669 -0.00332 0.00013 -0.01362 0.00431 116 4YY -0.01960 0.00087 -0.00196 0.02305 -0.00469 117 4ZZ -0.01153 -0.01556 -0.00103 -0.00122 -0.00035 118 4XY 0.00058 -0.00133 -0.01406 -0.00060 0.00267 119 4XZ 0.00107 -0.00254 0.00339 0.00372 0.00583 120 4YZ 0.00138 -0.00280 0.00183 -0.00508 -0.00529 121 9 C 1S 0.01910 -0.03933 -0.07391 0.04109 0.00710 122 2S -0.03857 0.06954 0.15076 -0.08210 -0.01472 123 2PX 0.07783 -0.15969 -0.24314 0.14617 0.07247 124 2PY -0.03083 0.06450 0.12387 -0.02930 0.02463 125 2PZ -0.00938 0.01905 0.07611 0.02043 0.26325 126 3S 0.00119 0.02209 0.08371 -0.08546 -0.00157 127 3PX 0.01142 -0.03708 -0.05708 0.02749 0.04143 128 3PY -0.00697 0.01280 0.07046 0.01355 0.01501 129 3PZ -0.00100 0.00472 0.03547 0.02272 0.18721 130 4XX -0.00423 0.00747 -0.00150 -0.00878 -0.00138 131 4YY 0.00151 -0.00461 -0.00512 0.01330 -0.00013 132 4ZZ 0.00198 -0.00455 -0.00560 0.00304 0.00258 133 4XY 0.00424 -0.00817 -0.00904 -0.00578 0.00173 134 4XZ 0.00065 -0.00127 -0.00122 0.00192 -0.00938 135 4YZ -0.00068 0.00148 0.00219 -0.00018 0.00344 136 10 C 1S -0.00334 0.00710 0.00807 -0.01264 0.00046 137 2S 0.00782 -0.01653 -0.02118 0.02741 -0.00033 138 2PX -0.00841 0.02008 0.02095 -0.01734 0.00463 139 2PY 0.01314 -0.03354 -0.03954 0.04327 0.00557 140 2PZ -0.00049 0.00150 0.00820 0.00143 0.03108 141 3S 0.00264 -0.01424 0.01308 0.07752 -0.01423 142 3PX 0.00312 -0.00470 -0.02761 0.01499 0.00522 143 3PY 0.00216 -0.00890 0.00363 0.04514 -0.00557 144 3PZ -0.00089 0.00221 0.00672 -0.00761 0.01272 145 4XX -0.00140 0.00311 0.00518 -0.00343 -0.00017 146 4YY 0.00030 -0.00068 0.00046 -0.00102 0.00383 147 4ZZ -0.00015 0.00036 -0.00066 -0.00100 -0.00374 148 4XY 0.00149 -0.00280 -0.00597 0.00425 0.00315 149 4XZ 0.00002 -0.00013 0.00002 0.00009 0.00038 150 4YZ -0.00036 0.00070 0.00364 0.00149 0.01309 151 11 C 1S 0.00206 -0.00524 -0.00748 0.00460 0.00068 152 2S -0.00496 0.01076 0.01693 -0.00958 -0.00164 153 2PX 0.00800 -0.01908 -0.02741 0.01808 -0.00139 154 2PY -0.00569 0.01289 0.01773 -0.00946 -0.00496 155 2PZ -0.00056 0.00145 -0.00157 -0.00491 -0.01964 156 3S -0.01139 0.02733 0.05160 -0.04029 -0.00344 157 3PX 0.00659 -0.01570 -0.02665 0.02252 -0.00284 158 3PY -0.00096 0.00425 -0.00235 -0.00870 -0.00196 159 3PZ -0.00102 0.00215 0.00064 -0.00641 -0.02363 160 4XX -0.00022 0.00054 0.00080 -0.00047 -0.00069 161 4YY 0.00065 -0.00158 -0.00240 0.00118 0.00041 162 4ZZ -0.00019 0.00032 0.00090 -0.00038 0.00037 163 4XY -0.00056 0.00103 0.00187 -0.00122 -0.00036 164 4XZ 0.00009 -0.00021 -0.00064 -0.00010 -0.00180 165 4YZ -0.00005 0.00014 0.00032 0.00002 0.00052 166 12 H 1S 0.00386 -0.00878 -0.01347 0.00713 0.00141 167 2S 0.00704 -0.01546 -0.02986 0.01662 0.00298 168 13 H 1S -0.00124 0.00237 0.00652 -0.00030 0.01075 169 2S -0.00012 -0.00017 0.00052 -0.00082 -0.00251 170 14 H 1S -0.00122 0.00235 0.00240 -0.00368 -0.01179 171 2S -0.00012 -0.00018 0.00140 -0.00004 0.00227 172 15 O 1S -0.00045 0.00025 0.00238 -0.00128 -0.00025 173 2S 0.00044 0.00056 -0.00143 0.00021 0.00028 174 2PX 0.00158 -0.00085 -0.01360 -0.00724 -0.01613 175 2PY 0.00443 -0.00890 -0.00729 0.01226 -0.01710 176 2PZ -0.00093 0.00150 -0.01650 -0.01712 -0.10444 177 3S 0.00321 -0.00556 -0.02910 0.01623 0.00294 178 3PX 0.00193 -0.00303 -0.00996 0.00067 -0.01357 179 3PY 0.00352 -0.00679 -0.01390 0.00683 -0.01139 180 3PZ -0.00087 0.00158 -0.01171 -0.01403 -0.08126 181 4XX -0.00056 0.00127 0.00300 -0.00199 -0.00130 182 4YY 0.00040 -0.00095 -0.00027 0.00067 -0.00056 183 4ZZ -0.00019 0.00051 0.00196 -0.00056 0.00131 184 4XY 0.00031 -0.00046 -0.00083 0.00077 -0.00082 185 4XZ 0.00002 -0.00008 -0.00076 -0.00040 -0.00306 186 4YZ -0.00016 0.00034 0.00014 -0.00069 -0.00173 187 16 H 1S 0.01346 -0.02963 -0.04220 -0.00022 0.00769 188 2S 0.01708 -0.03366 -0.08908 -0.00290 0.01665 189 17 H 1S -0.05833 0.11158 -0.01283 0.26998 -0.03895 190 2S -0.00711 0.01660 -0.00267 0.24318 -0.03745 191 18 H 1S 0.01234 -0.03158 0.02787 0.03197 -0.00982 192 2S 0.01450 -0.03467 0.05098 0.06458 -0.01938 193 19 C 1S -0.00248 0.00497 -0.00679 0.00411 0.00070 194 2S 0.00495 -0.01038 0.01264 -0.01005 -0.00092 195 2PX 0.00921 -0.01879 0.01919 -0.03219 -0.00123 196 2PY -0.00438 0.00745 -0.02045 -0.01996 0.00505 197 2PZ -0.00097 0.00234 -0.00305 0.00581 -0.01347 198 3S 0.00806 -0.01355 0.04505 -0.01101 -0.00659 199 3PX 0.00700 -0.01328 0.01964 -0.01623 -0.00219 200 3PY 0.00054 -0.00134 -0.01130 -0.02715 0.00568 201 3PZ -0.00113 0.00230 -0.00102 0.00591 0.00202 202 4XX -0.00011 0.00001 -0.00041 -0.00015 0.00042 203 4YY 0.00023 -0.00051 0.00119 -0.00128 -0.00007 204 4ZZ -0.00038 0.00058 -0.00062 0.00043 -0.00017 205 4XY 0.00004 -0.00001 -0.00150 -0.00233 0.00072 206 4XZ -0.00004 0.00006 0.00045 0.00054 0.00099 207 4YZ -0.00010 0.00017 -0.00010 0.00061 -0.00042 208 20 H 1S 0.00347 -0.00779 0.00300 -0.01762 0.00189 209 2S -0.00344 0.00442 -0.01859 -0.00470 0.00552 210 21 H 1S -0.00185 0.00329 -0.00221 0.00654 0.00694 211 2S -0.00232 0.00434 -0.00239 0.01136 0.00821 212 22 H 1S -0.00199 0.00372 -0.00515 0.00516 -0.00703 213 2S -0.00261 0.00499 -0.00674 0.00977 -0.00999 214 23 H 1S 0.00315 -0.00615 0.01073 0.00376 -0.00650 215 2S 0.00599 -0.01205 0.02473 0.01187 -0.00755 216 24 H 1S -0.00257 0.00456 -0.00872 -0.00406 0.00030 217 2S -0.00112 0.00212 -0.00238 0.00257 -0.00067 218 25 H 1S 0.00077 -0.00119 0.00259 0.00129 -0.00101 219 2S 0.00250 -0.00484 0.00933 0.00608 -0.00523 220 26 H 1S -0.00003 -0.00033 -0.00041 -0.00119 -0.00195 221 2S -0.00067 0.00095 -0.00233 -0.00136 -0.00278 222 27 H 1S 0.00004 0.00001 0.00001 -0.00048 0.00004 223 2S -0.00011 0.00013 -0.00125 -0.00085 0.00051 224 28 C 1S -0.00005 0.00006 -0.00013 -0.00004 -0.00007 225 2S 0.00008 -0.00006 0.00034 0.00013 0.00005 226 2PX 0.00017 -0.00011 0.00046 0.00019 0.00040 227 2PY -0.00009 0.00021 -0.00027 -0.00008 0.00022 228 2PZ 0.00010 -0.00024 0.00043 0.00017 0.00033 229 3S 0.00046 -0.00067 0.00008 0.00055 0.00092 230 3PX 0.00027 -0.00038 0.00041 0.00021 0.00042 231 3PY 0.00007 -0.00010 0.00065 -0.00014 -0.00026 232 3PZ 0.00003 -0.00008 -0.00013 0.00045 0.00015 233 4XX 0.00000 0.00000 -0.00001 0.00001 0.00000 234 4YY 0.00002 -0.00003 0.00007 0.00006 0.00004 235 4ZZ -0.00002 0.00003 -0.00007 -0.00001 -0.00003 236 4XY -0.00002 0.00004 -0.00004 -0.00006 -0.00005 237 4XZ -0.00003 0.00008 -0.00016 -0.00008 -0.00005 238 4YZ 0.00005 -0.00011 0.00023 0.00010 0.00002 239 29 H 1S 0.00002 0.00010 0.00001 -0.00013 0.00007 240 2S -0.00038 0.00074 -0.00122 -0.00005 0.00010 241 30 H 1S -0.00021 0.00040 -0.00083 -0.00039 -0.00037 242 2S -0.00035 0.00072 -0.00154 -0.00060 -0.00037 243 31 H 1S 0.00015 -0.00039 0.00079 0.00039 0.00025 244 2S 0.00032 -0.00079 0.00159 0.00071 0.00040 245 32 H 1S -0.00006 0.00009 -0.00019 -0.00006 -0.00007 246 2S 0.00002 -0.00002 -0.00004 0.00004 0.00017 247 33 H 1S 0.00031 -0.00064 0.00128 0.00070 0.00054 248 2S 0.00067 -0.00138 0.00286 0.00142 0.00052 249 34 H 1S -0.00015 0.00041 -0.00077 -0.00040 -0.00007 250 2S -0.00027 0.00069 -0.00134 -0.00076 -0.00024 111 112 113 114 115 111 3S 0.26816 112 3PX -0.01231 0.06264 113 3PY 0.00816 -0.00401 0.05100 114 3PZ 0.00036 0.01208 0.01293 0.12138 115 4XX -0.00413 0.00029 -0.00348 0.00200 0.00142 116 4YY 0.00329 -0.00126 0.00649 -0.00171 -0.00109 117 4ZZ -0.01104 0.00019 -0.00161 -0.00035 0.00021 118 4XY -0.00033 -0.00295 -0.00045 0.00068 0.00019 119 4XZ -0.00157 0.00131 0.00113 0.00437 0.00005 120 4YZ -0.00256 0.00018 -0.00194 -0.00338 0.00019 121 9 C 1S 0.00297 -0.01507 0.00187 0.00245 -0.00451 122 2S 0.02336 0.03779 -0.01675 -0.00428 0.00739 123 2PX -0.11973 -0.06118 0.03392 0.03888 0.00395 124 2PY 0.01561 0.07091 -0.00033 0.01479 0.00884 125 2PZ 0.01861 0.03275 0.02181 0.17269 0.00262 126 3S -0.01442 0.00069 -0.01031 0.00183 0.00791 127 3PX -0.00595 -0.00056 0.00030 0.02313 0.00194 128 3PY -0.01468 0.03036 0.00589 0.01308 0.00312 129 3PZ 0.00292 0.01834 0.01863 0.12291 0.00294 130 4XX 0.00547 0.00084 -0.00231 -0.00174 0.00047 131 4YY -0.00413 -0.00291 0.00400 0.00060 -0.00048 132 4ZZ -0.00211 -0.00131 0.00061 0.00141 -0.00024 133 4XY -0.00878 -0.00219 -0.00204 0.00023 0.00080 134 4XZ -0.00018 -0.00127 -0.00008 -0.00580 -0.00034 135 4YZ 0.00198 0.00110 0.00016 0.00243 -0.00011 136 10 C 1S 0.01550 0.01572 -0.00548 -0.00203 0.00142 137 2S -0.02296 -0.02954 0.01096 0.00371 -0.00258 138 2PX 0.07357 0.05527 -0.02289 -0.00410 0.00077 139 2PY -0.00182 -0.01769 0.00120 0.00527 -0.00314 140 2PZ -0.01333 -0.00464 0.00586 0.01401 0.00184 141 3S -0.01001 -0.01641 0.02097 -0.00023 -0.00531 142 3PX 0.00061 -0.00913 0.00673 0.00157 0.00023 143 3PY -0.02080 -0.00303 0.01110 -0.00043 -0.00159 144 3PZ 0.00279 0.00295 -0.00231 0.00426 0.00095 145 4XX -0.00006 0.00446 -0.00167 -0.00033 0.00012 146 4YY 0.00163 -0.00127 0.00063 0.00269 0.00024 147 4ZZ 0.00209 0.00098 -0.00106 -0.00280 -0.00003 148 4XY -0.00473 -0.00216 0.00248 0.00188 0.00017 149 4XZ 0.00125 -0.00016 -0.00007 0.00051 -0.00005 150 4YZ 0.00098 0.00260 0.00080 0.00890 0.00015 151 11 C 1S -0.00098 -0.00425 0.00177 0.00052 0.00009 152 2S 0.00923 0.01445 -0.00461 -0.00195 -0.00008 153 2PX -0.03141 -0.03700 0.01711 0.00080 -0.00044 154 2PY 0.03909 0.02202 -0.00449 -0.00625 -0.00045 155 2PZ -0.00031 -0.00019 -0.00517 -0.01815 -0.00026 156 3S 0.01495 0.04147 -0.01945 -0.00473 0.00106 157 3PX -0.01927 -0.02924 0.01414 -0.00007 -0.00090 158 3PY 0.02080 0.00957 -0.00420 -0.00393 0.00007 159 3PZ 0.00032 0.00040 -0.00471 -0.01796 -0.00024 160 4XX 0.00127 0.00052 -0.00027 -0.00047 -0.00007 161 4YY -0.00272 -0.00176 0.00040 0.00030 0.00003 162 4ZZ 0.00023 -0.00001 0.00031 0.00032 0.00001 163 4XY 0.00039 0.00019 0.00022 -0.00025 0.00006 164 4XZ -0.00026 -0.00039 -0.00011 -0.00119 -0.00007 165 4YZ 0.00045 0.00028 -0.00004 0.00013 -0.00000 166 12 H 1S -0.02556 -0.01357 0.00265 0.00212 0.00012 167 2S -0.01912 -0.01933 0.00557 0.00275 -0.00025 168 13 H 1S 0.00396 0.00200 0.00388 0.00941 0.00014 169 2S 0.00261 -0.00371 0.00333 0.00017 0.00002 170 14 H 1S 0.00398 -0.00161 0.00102 -0.01025 -0.00044 171 2S 0.00262 -0.00380 0.00348 0.00013 -0.00020 172 15 O 1S 0.00803 -0.00614 -0.00430 0.00176 -0.00009 173 2S -0.02013 0.00837 0.00899 -0.00285 0.00019 174 2PX 0.01279 -0.04710 0.01630 -0.00864 -0.00035 175 2PY -0.09834 -0.03058 0.01101 -0.00845 0.00114 176 2PZ 0.01223 -0.00119 -0.01713 -0.07895 -0.00129 177 3S -0.01638 0.01548 0.00920 -0.00410 0.00068 178 3PX 0.01172 -0.02831 0.01020 -0.00757 -0.00054 179 3PY -0.06132 -0.01662 0.00437 -0.00703 0.00115 180 3PZ 0.00698 -0.00330 -0.01199 -0.05982 -0.00119 181 4XX 0.00292 0.00027 -0.00030 -0.00083 -0.00001 182 4YY -0.00479 -0.00228 0.00045 -0.00010 -0.00004 183 4ZZ 0.00138 0.00103 -0.00019 0.00112 0.00001 184 4XY -0.00251 -0.00248 0.00105 -0.00042 0.00000 185 4XZ 0.00009 0.00007 -0.00061 -0.00243 -0.00001 186 4YZ 0.00154 0.00072 -0.00062 -0.00166 0.00001 187 16 H 1S -0.04986 0.00059 -0.00024 -0.00010 0.00869 188 2S -0.04993 -0.01597 -0.00061 0.00300 0.00680 189 17 H 1S 0.09880 -0.01488 0.08882 -0.01079 -0.01134 190 2S 0.02263 -0.00926 0.07022 -0.00943 -0.01083 191 18 H 1S -0.03333 0.02957 -0.00054 -0.00503 -0.00397 192 2S -0.03956 0.04123 0.00875 -0.00880 -0.00511 193 19 C 1S 0.01196 -0.00014 0.00314 -0.00048 0.00005 194 2S -0.02161 -0.00343 -0.00440 0.00126 -0.00045 195 2PX -0.05556 -0.02009 -0.01780 0.00532 0.00022 196 2PY 0.05472 -0.02844 -0.02589 0.00875 0.00264 197 2PZ 0.00162 0.00814 0.00578 -0.00650 0.00002 198 3S -0.03933 0.01426 -0.00143 -0.00241 -0.00153 199 3PX -0.03258 -0.00560 -0.00838 0.00183 0.00021 200 3PY 0.02490 -0.01645 -0.01908 0.00593 0.00266 201 3PZ 0.00187 0.00450 0.00423 0.00201 -0.00034 202 4XX 0.00036 -0.00148 -0.00051 0.00048 0.00008 203 4YY -0.00220 0.00070 -0.00020 -0.00006 0.00006 204 4ZZ 0.00285 0.00045 0.00006 -0.00023 0.00002 205 4XY 0.00150 -0.00127 -0.00234 0.00067 -0.00018 206 4XZ 0.00021 0.00052 0.00048 0.00025 -0.00008 207 4YZ 0.00054 0.00019 0.00043 0.00001 0.00020 208 20 H 1S -0.01137 -0.02367 -0.01932 0.00720 -0.00011 209 2S 0.01028 -0.02320 -0.01449 0.00747 -0.00105 210 21 H 1S 0.01811 0.00052 0.00199 0.00156 -0.00015 211 2S 0.01653 0.00062 0.00521 0.00182 -0.00041 212 22 H 1S 0.01837 0.00190 0.00185 -0.00233 0.00109 213 2S 0.01662 0.00129 0.00478 -0.00394 0.00184 214 23 H 1S -0.02817 0.00797 0.01058 -0.00559 0.00117 215 2S -0.03496 0.01163 0.01441 -0.00417 0.00190 216 24 H 1S 0.01661 -0.01139 -0.00834 0.00101 0.00001 217 2S 0.00446 -0.00574 -0.00134 -0.00035 -0.00057 218 25 H 1S -0.00740 0.00558 0.00274 -0.00094 0.00001 219 2S -0.01234 0.00700 0.00473 -0.00256 0.00056 220 26 H 1S 0.00455 -0.00271 -0.00252 -0.00205 0.00023 221 2S 0.00643 -0.00334 -0.00252 -0.00270 0.00023 222 27 H 1S -0.00171 0.00056 0.00070 -0.00022 0.00000 223 2S -0.00205 -0.00010 0.00072 0.00013 0.00010 224 28 C 1S 0.00063 -0.00010 -0.00031 -0.00005 0.00000 225 2S -0.00161 0.00046 0.00078 -0.00004 -0.00003 226 2PX -0.00277 0.00102 0.00169 0.00020 -0.00004 227 2PY -0.00031 -0.00049 0.00043 -0.00001 -0.00003 228 2PZ -0.00027 0.00021 0.00010 0.00031 0.00002 229 3S -0.00451 0.00124 0.00185 0.00054 -0.00008 230 3PX -0.00272 0.00088 0.00125 0.00029 -0.00000 231 3PY -0.00105 0.00022 0.00039 -0.00021 -0.00004 232 3PZ -0.00049 -0.00007 0.00049 0.00006 0.00001 233 4XX 0.00003 0.00001 -0.00001 -0.00001 0.00000 234 4YY -0.00010 0.00005 0.00007 0.00004 0.00000 235 4ZZ 0.00012 -0.00006 -0.00005 -0.00003 -0.00000 236 4XY 0.00005 -0.00009 -0.00001 -0.00004 -0.00000 237 4XZ 0.00012 -0.00007 -0.00005 -0.00005 -0.00001 238 4YZ -0.00012 0.00011 0.00003 0.00003 0.00001 239 29 H 1S -0.00126 -0.00008 0.00086 -0.00009 -0.00002 240 2S 0.00180 -0.00120 -0.00001 -0.00008 0.00002 241 30 H 1S 0.00103 -0.00054 -0.00059 -0.00035 -0.00002 242 2S 0.00142 -0.00083 -0.00060 -0.00043 -0.00000 243 31 H 1S -0.00036 0.00022 0.00001 0.00024 0.00002 244 2S -0.00047 0.00058 -0.00008 0.00048 0.00007 245 32 H 1S 0.00040 -0.00032 -0.00039 -0.00002 -0.00001 246 2S 0.00008 -0.00008 -0.00022 0.00011 0.00001 247 33 H 1S -0.00103 0.00112 0.00046 0.00053 0.00003 248 2S -0.00300 0.00198 0.00121 0.00058 0.00005 249 34 H 1S -0.00006 0.00013 0.00019 -0.00019 -0.00004 250 2S -0.00015 0.00001 0.00024 -0.00044 -0.00005 116 117 118 119 120 116 4YY 0.00198 117 4ZZ -0.00001 0.00094 118 4XY -0.00005 0.00005 0.00090 119 4XZ 0.00021 -0.00016 -0.00003 0.00099 120 4YZ -0.00031 0.00014 -0.00014 -0.00009 0.00023 121 9 C 1S 0.00201 0.00193 0.00387 0.00076 -0.00071 122 2S -0.00500 -0.00440 -0.00788 -0.00126 0.00154 123 2PX 0.00372 0.00595 0.01106 0.00146 -0.00248 124 2PY -0.01085 -0.00257 0.00487 -0.00082 -0.00015 125 2PZ -0.00036 -0.00408 -0.00138 0.01443 -0.00475 126 3S -0.00519 -0.00221 -0.00745 -0.00091 0.00190 127 3PX 0.00048 0.00106 0.00336 0.00151 -0.00103 128 3PY -0.00317 -0.00092 0.00118 0.00091 -0.00024 129 3PZ -0.00049 -0.00298 0.00045 0.01131 -0.00327 130 4XX -0.00068 -0.00025 0.00034 -0.00027 0.00006 131 4YY 0.00091 0.00014 -0.00001 0.00013 -0.00014 132 4ZZ 0.00015 0.00026 0.00031 0.00011 -0.00008 133 4XY -0.00074 0.00038 0.00064 -0.00022 0.00010 134 4XZ 0.00035 0.00006 -0.00010 -0.00008 0.00014 135 4YZ 0.00000 -0.00004 -0.00007 0.00004 -0.00003 136 10 C 1S -0.00200 -0.00019 0.00096 -0.00049 0.00014 137 2S 0.00442 0.00044 -0.00208 0.00097 -0.00031 138 2PX -0.00313 -0.00012 0.00208 0.00039 -0.00014 139 2PY 0.00785 -0.00033 -0.00646 0.00237 -0.00048 140 2PZ -0.00110 -0.00097 0.00101 0.00428 -0.00177 141 3S 0.00778 0.00008 -0.00330 0.00166 -0.00073 142 3PX 0.00024 0.00032 0.00104 0.00030 -0.00034 143 3PY 0.00306 -0.00019 -0.00129 0.00090 -0.00046 144 3PZ -0.00075 -0.00055 0.00021 0.00218 -0.00084 145 4XX -0.00049 -0.00010 0.00018 -0.00008 0.00006 146 4YY 0.00008 -0.00006 -0.00029 0.00018 -0.00001 147 4ZZ -0.00010 0.00005 0.00005 -0.00019 0.00003 148 4XY -0.00007 0.00013 0.00055 0.00004 -0.00008 149 4XZ 0.00011 -0.00002 -0.00010 0.00000 0.00007 150 4YZ -0.00006 -0.00020 0.00004 0.00066 -0.00017 151 11 C 1S 0.00056 -0.00003 -0.00031 0.00002 -0.00005 152 2S -0.00121 -0.00024 0.00032 -0.00008 0.00011 153 2PX 0.00272 0.00013 -0.00145 0.00010 -0.00013 154 2PY -0.00089 -0.00011 0.00057 -0.00022 0.00009 155 2PZ -0.00024 0.00029 0.00006 -0.00125 0.00045 156 3S -0.00433 -0.00077 0.00090 -0.00051 0.00048 157 3PX 0.00275 0.00028 -0.00103 0.00016 -0.00018 158 3PY -0.00074 0.00007 0.00065 -0.00030 0.00008 159 3PZ -0.00026 0.00022 -0.00002 -0.00121 0.00048 160 4XX -0.00001 0.00003 0.00002 -0.00006 0.00002 161 4YY 0.00012 0.00002 -0.00005 0.00002 -0.00001 162 4ZZ -0.00001 -0.00003 -0.00003 0.00006 -0.00002 163 4XY -0.00014 -0.00002 0.00005 -0.00005 0.00002 164 4XZ 0.00004 0.00005 -0.00004 -0.00020 0.00007 165 4YZ 0.00000 -0.00002 -0.00000 0.00005 -0.00001 166 12 H 1S 0.00069 0.00008 -0.00044 0.00006 -0.00003 167 2S 0.00184 0.00029 -0.00058 0.00020 -0.00017 168 13 H 1S -0.00011 -0.00032 0.00000 0.00092 -0.00031 169 2S 0.00018 -0.00009 -0.00009 0.00037 -0.00017 170 14 H 1S 0.00005 0.00010 -0.00017 -0.00088 0.00031 171 2S 0.00026 0.00006 -0.00014 -0.00031 0.00013 172 15 O 1S 0.00030 -0.00014 0.00001 -0.00001 -0.00008 173 2S -0.00080 0.00023 0.00012 -0.00000 0.00017 174 2PX 0.00066 0.00101 0.00101 -0.00061 -0.00020 175 2PY -0.00138 0.00021 0.00290 -0.00125 -0.00031 176 2PZ 0.00007 0.00102 -0.00122 -0.00334 0.00004 177 3S -0.00071 0.00038 0.00037 -0.00012 0.00013 178 3PX 0.00105 0.00069 0.00015 -0.00044 -0.00011 179 3PY -0.00145 0.00026 0.00238 -0.00113 -0.00015 180 3PZ 0.00008 0.00093 -0.00090 -0.00318 0.00026 181 4XX -0.00010 0.00001 0.00007 -0.00002 -0.00000 182 4YY 0.00011 -0.00001 -0.00007 0.00002 -0.00002 183 4ZZ -0.00006 -0.00002 -0.00005 0.00001 0.00004 184 4XY 0.00000 0.00004 0.00004 -0.00000 -0.00002 185 4XZ 0.00000 0.00000 -0.00004 -0.00003 -0.00001 186 4YZ -0.00005 0.00000 -0.00002 0.00001 -0.00005 187 16 H 1S -0.00573 0.00099 0.00532 -0.00249 0.00016 188 2S -0.00524 0.00158 0.00731 -0.00228 -0.00019 189 17 H 1S 0.01730 -0.00593 -0.00101 0.00118 -0.00400 190 2S 0.01657 -0.00191 -0.00085 0.00199 -0.00312 191 18 H 1S 0.00786 0.00026 0.00494 -0.00001 -0.00233 192 2S 0.00757 0.00060 0.00212 0.00100 -0.00163 193 19 C 1S -0.00009 -0.00024 0.00016 -0.00008 -0.00006 194 2S 0.00007 0.00037 -0.00009 0.00017 0.00007 195 2PX -0.00123 0.00040 -0.00113 0.00060 0.00070 196 2PY -0.00282 -0.00042 -0.00009 -0.00043 0.00057 197 2PZ 0.00078 -0.00066 0.00053 0.00147 0.00042 198 3S 0.00093 0.00041 -0.00016 0.00037 -0.00008 199 3PX -0.00072 0.00038 -0.00075 0.00028 0.00041 200 3PY -0.00314 0.00015 -0.00029 -0.00047 0.00069 201 3PZ 0.00051 -0.00012 0.00016 0.00011 -0.00006 202 4XX -0.00008 0.00002 -0.00005 -0.00009 0.00001 203 4YY -0.00006 -0.00002 -0.00003 0.00014 0.00004 204 4ZZ -0.00001 0.00001 0.00003 -0.00008 -0.00001 205 4XY 0.00003 -0.00001 0.00007 0.00009 -0.00001 206 4XZ -0.00001 0.00012 -0.00006 -0.00032 -0.00005 207 4YZ 0.00002 -0.00020 0.00010 0.00052 0.00004 208 20 H 1S -0.00063 0.00009 -0.00056 0.00024 0.00028 209 2S 0.00052 -0.00035 0.00004 0.00028 -0.00015 210 21 H 1S -0.00026 0.00069 -0.00016 -0.00225 -0.00045 211 2S -0.00037 0.00120 -0.00067 -0.00392 -0.00050 212 22 H 1S 0.00004 -0.00087 0.00064 0.00182 0.00032 213 2S 0.00007 -0.00153 0.00074 0.00345 0.00046 214 23 H 1S -0.00012 -0.00044 0.00004 0.00174 0.00023 215 2S 0.00023 -0.00078 -0.00001 0.00329 0.00029 216 24 H 1S -0.00013 -0.00053 0.00026 0.00059 0.00002 217 2S 0.00083 -0.00042 0.00051 0.00049 -0.00024 218 25 H 1S -0.00000 0.00021 -0.00018 -0.00025 -0.00002 219 2S 0.00035 -0.00031 0.00003 0.00149 0.00008 220 26 H 1S -0.00010 -0.00012 -0.00006 0.00012 0.00011 221 2S -0.00005 -0.00027 0.00007 0.00039 0.00010 222 27 H 1S -0.00004 0.00001 -0.00003 0.00002 0.00003 223 2S -0.00006 -0.00011 0.00003 0.00033 0.00005 224 28 C 1S 0.00001 -0.00002 0.00001 0.00004 0.00000 225 2S -0.00001 0.00006 -0.00003 -0.00011 -0.00000 226 2PX -0.00001 0.00011 -0.00006 -0.00015 -0.00000 227 2PY 0.00002 -0.00002 0.00004 0.00004 -0.00000 228 2PZ -0.00003 0.00002 -0.00003 -0.00007 0.00001 229 3S 0.00003 0.00011 -0.00003 -0.00014 -0.00002 230 3PX 0.00002 0.00003 -0.00001 0.00003 -0.00000 231 3PY 0.00002 0.00003 0.00001 -0.00004 -0.00001 232 3PZ 0.00000 0.00000 -0.00000 -0.00002 -0.00000 233 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 234 4YY -0.00000 0.00001 -0.00000 -0.00002 -0.00000 235 4ZZ 0.00000 -0.00000 0.00000 0.00001 -0.00000 236 4XY 0.00000 -0.00000 0.00001 0.00001 0.00000 237 4XZ 0.00000 -0.00001 0.00001 0.00002 -0.00000 238 4YZ -0.00000 0.00001 -0.00001 -0.00002 0.00000 239 29 H 1S 0.00000 0.00002 0.00000 0.00000 0.00000 240 2S -0.00001 -0.00005 0.00003 0.00008 0.00001 241 30 H 1S 0.00002 -0.00005 0.00006 0.00013 -0.00000 242 2S 0.00003 -0.00011 0.00011 0.00030 -0.00001 243 31 H 1S -0.00002 0.00002 -0.00004 -0.00010 0.00000 244 2S -0.00003 0.00002 -0.00007 -0.00011 0.00001 245 32 H 1S 0.00001 -0.00003 0.00003 0.00005 -0.00000 246 2S -0.00000 -0.00001 0.00001 0.00003 -0.00000 247 33 H 1S -0.00003 0.00008 -0.00009 -0.00020 0.00000 248 2S -0.00004 0.00016 -0.00018 -0.00040 0.00001 249 34 H 1S 0.00001 -0.00001 0.00002 0.00006 -0.00000 250 2S 0.00001 -0.00002 0.00005 0.00012 -0.00000 121 122 123 124 125 121 9 C 1S 2.05323 122 2S -0.06285 0.32459 123 2PX -0.00014 -0.00442 0.41937 124 2PY -0.00035 -0.00181 -0.00325 0.40607 125 2PZ 0.00003 0.00113 -0.01228 -0.00778 0.35349 126 3S -0.18192 0.29007 0.03277 -0.08172 0.00713 127 3PX -0.00795 0.02744 0.13129 0.00999 0.02082 128 3PY 0.01080 -0.01335 -0.01101 0.15783 0.01747 129 3PZ -0.00024 -0.00288 0.02446 0.01357 0.25193 130 4XX -0.01893 0.00022 -0.00178 0.01351 -0.00432 131 4YY -0.01807 -0.00190 0.00920 -0.01087 0.00041 132 4ZZ -0.01196 -0.01461 0.00057 -0.00002 0.00206 133 4XY -0.00154 0.00210 0.01635 0.01010 -0.00547 134 4XZ 0.00179 -0.00362 -0.00379 -0.00585 -0.00653 135 4YZ 0.00143 -0.00277 -0.00442 0.00013 0.00259 136 10 C 1S 0.01479 -0.02892 -0.01393 0.07259 -0.00850 137 2S -0.02955 0.05377 0.02863 -0.15382 0.01817 138 2PX 0.02182 -0.04169 -0.00569 0.09058 0.00697 139 2PY -0.06918 0.13814 0.06540 -0.28590 0.04813 140 2PZ 0.00656 -0.01343 0.01080 0.04369 0.10096 141 3S 0.00207 0.01740 -0.01019 -0.14988 0.02454 142 3PX -0.00258 -0.00729 0.03364 -0.00636 0.00480 143 3PY 0.00303 0.00349 0.00909 -0.03639 0.01234 144 3PZ -0.00000 0.00079 0.00245 0.01494 0.05190 145 4XX 0.00456 -0.00978 -0.00883 0.01713 -0.00138 146 4YY -0.00862 0.01521 0.00695 -0.01068 0.00435 147 4ZZ 0.00140 -0.00323 -0.00173 0.00384 -0.00389 148 4XY 0.00295 -0.00623 0.00926 0.00981 -0.00060 149 4XZ -0.00110 0.00231 -0.00010 -0.00442 -0.00091 150 4YZ 0.00122 -0.00209 -0.00040 0.00310 0.01456 151 11 C 1S -0.00604 0.01204 0.01142 -0.01754 0.00059 152 2S 0.01226 -0.02552 -0.02687 0.03604 -0.00061 153 2PX -0.01907 0.03856 0.02526 -0.07617 0.00366 154 2PY 0.01238 -0.02739 -0.02624 0.02449 -0.00172 155 2PZ 0.00153 -0.00276 -0.00376 0.00716 -0.01862 156 3S 0.02970 -0.05572 -0.07091 0.12250 -0.00576 157 3PX -0.01521 0.02790 0.02616 -0.07439 0.00204 158 3PY 0.00534 -0.01237 -0.00226 0.01141 -0.00504 159 3PZ 0.00191 -0.00312 -0.00879 0.00778 -0.02464 160 4XX 0.00036 -0.00062 -0.00122 -0.00036 -0.00110 161 4YY -0.00141 0.00312 0.00373 -0.00374 0.00020 162 4ZZ 0.00026 -0.00070 -0.00173 0.00031 0.00133 163 4XY 0.00095 -0.00190 -0.00281 0.00485 -0.00069 164 4XZ -0.00017 0.00027 -0.00052 -0.00133 -0.00402 165 4YZ 0.00012 -0.00033 -0.00028 -0.00004 0.00131 166 12 H 1S -0.00763 0.01659 0.01747 -0.01938 -0.00020 167 2S -0.01535 0.03223 0.04068 -0.05547 0.00113 168 13 H 1S 0.00258 -0.00603 -0.00814 0.00376 0.01613 169 2S -0.00104 0.00207 -0.00278 -0.00640 0.00401 170 14 H 1S 0.00258 -0.00603 -0.01328 -0.00063 -0.01279 171 2S -0.00104 0.00206 -0.00364 -0.00714 -0.00087 172 15 O 1S -0.00200 0.00481 -0.00383 -0.00900 0.00204 173 2S 0.00546 -0.01159 0.00419 0.02566 -0.00459 174 2PX -0.01186 0.02261 0.01035 -0.03915 -0.00700 175 2PY 0.02965 -0.06439 -0.00690 0.10741 -0.02410 176 2PZ -0.00235 0.00571 -0.01167 -0.01855 -0.05591 177 3S 0.00038 -0.00893 0.04423 0.02123 -0.01110 178 3PX -0.01244 0.02488 0.01262 -0.04191 -0.00677 179 3PY 0.02055 -0.04713 0.00608 0.08222 -0.02266 180 3PZ -0.00087 0.00268 -0.01403 -0.01422 -0.05603 181 4XX 0.00090 -0.00067 -0.00318 0.00315 -0.00005 182 4YY 0.00016 0.00002 -0.00105 -0.00243 0.00089 183 4ZZ 0.00011 0.00010 -0.00177 0.00109 0.00001 184 4XY 0.00025 -0.00072 0.00049 -0.00002 0.00007 185 4XZ -0.00021 0.00028 0.00014 -0.00049 -0.00046 186 4YZ -0.00006 0.00015 0.00001 0.00081 0.00107 187 16 H 1S -0.05927 0.11209 0.20461 0.16063 -0.06145 188 2S -0.01233 0.02513 0.18373 0.15169 -0.05619 189 17 H 1S 0.01363 -0.02971 0.02703 -0.03117 -0.00040 190 2S 0.01774 -0.03466 0.05588 -0.06591 -0.00038 191 18 H 1S 0.00534 -0.01098 0.01941 -0.00267 -0.00361 192 2S 0.00732 -0.01485 0.01758 0.01672 -0.00440 193 19 C 1S 0.00068 -0.00113 0.00221 -0.00153 -0.00008 194 2S -0.00134 0.00181 -0.00414 0.00228 0.00015 195 2PX -0.00362 0.00541 -0.01098 0.00803 0.00340 196 2PY 0.00012 0.00170 -0.00034 0.00277 0.00115 197 2PZ 0.00059 -0.00121 0.00427 0.00026 0.01191 198 3S -0.00471 0.00744 -0.01780 0.01862 -0.00038 199 3PX -0.00344 0.00559 -0.00803 0.00875 0.00116 200 3PY -0.00084 0.00288 -0.00303 0.00524 -0.00018 201 3PZ 0.00057 -0.00114 0.00254 -0.00079 0.00579 202 4XX -0.00006 0.00008 -0.00011 -0.00026 -0.00059 203 4YY -0.00023 0.00040 -0.00055 0.00073 0.00131 204 4ZZ 0.00002 -0.00003 -0.00004 -0.00033 -0.00068 205 4XY 0.00022 -0.00041 0.00074 -0.00008 0.00047 206 4XZ -0.00003 0.00006 -0.00060 -0.00037 -0.00268 207 4YZ 0.00000 -0.00000 0.00098 0.00069 0.00516 208 20 H 1S -0.00116 0.00161 -0.00287 0.00167 0.00111 209 2S 0.00189 -0.00389 0.00782 -0.00973 0.00240 210 21 H 1S 0.00053 -0.00030 -0.00230 -0.00402 -0.01933 211 2S 0.00038 -0.00008 -0.00469 -0.00704 -0.03354 212 22 H 1S 0.00057 -0.00046 0.00489 0.00153 0.01839 213 2S 0.00061 -0.00055 0.00802 0.00240 0.03289 214 23 H 1S -0.00124 0.00213 -0.00069 0.00419 0.01744 215 2S -0.00255 0.00495 -0.00177 0.00621 0.03538 216 24 H 1S 0.00048 -0.00106 0.00285 0.00040 0.00541 217 2S 0.00030 -0.00100 0.00257 -0.00187 0.00486 218 25 H 1S -0.00025 0.00050 -0.00106 0.00004 -0.00139 219 2S -0.00096 0.00182 0.00067 0.00208 0.01460 220 26 H 1S -0.00011 0.00044 -0.00044 0.00018 0.00087 221 2S 0.00027 -0.00027 0.00013 0.00010 0.00269 222 27 H 1S -0.00006 0.00003 -0.00015 0.00016 0.00004 223 2S 0.00020 -0.00042 0.00086 0.00036 0.00318 224 28 C 1S 0.00001 -0.00002 0.00011 0.00005 0.00042 225 2S -0.00004 0.00004 -0.00033 -0.00010 -0.00112 226 2PX -0.00004 0.00003 -0.00035 -0.00014 -0.00147 227 2PY 0.00004 -0.00013 0.00023 0.00001 0.00030 228 2PZ -0.00006 0.00014 -0.00032 -0.00001 -0.00077 229 3S 0.00015 -0.00028 0.00037 -0.00041 -0.00137 230 3PX 0.00003 -0.00006 0.00010 -0.00005 0.00042 231 3PY -0.00008 0.00009 -0.00042 0.00010 -0.00062 232 3PZ 0.00006 -0.00007 0.00014 -0.00024 -0.00008 233 4XX -0.00000 0.00000 0.00002 0.00000 0.00005 234 4YY -0.00000 0.00001 -0.00005 -0.00003 -0.00016 235 4ZZ 0.00000 -0.00001 0.00004 0.00000 0.00006 236 4XY 0.00000 -0.00001 0.00002 0.00002 0.00010 237 4XZ 0.00001 -0.00004 0.00010 0.00001 0.00020 238 4YZ -0.00002 0.00005 -0.00013 -0.00002 -0.00023 239 29 H 1S -0.00000 -0.00005 -0.00001 0.00002 -0.00010 240 2S 0.00010 -0.00020 0.00053 -0.00012 0.00087 241 30 H 1S 0.00008 -0.00019 0.00053 0.00010 0.00129 242 2S 0.00017 -0.00038 0.00115 0.00022 0.00315 243 31 H 1S -0.00009 0.00020 -0.00051 -0.00007 -0.00106 244 2S -0.00017 0.00040 -0.00085 -0.00001 -0.00110 245 32 H 1S 0.00002 -0.00006 0.00018 0.00005 0.00048 246 2S -0.00001 -0.00000 0.00017 0.00010 0.00042 247 33 H 1S -0.00012 0.00031 -0.00082 -0.00018 -0.00199 248 2S -0.00026 0.00062 -0.00181 -0.00041 -0.00398 249 34 H 1S 0.00007 -0.00018 0.00041 0.00004 0.00061 250 2S 0.00011 -0.00030 0.00073 0.00014 0.00125 126 127 128 129 130 126 3S 0.36690 127 3PX 0.03568 0.06795 128 3PY -0.07409 -0.01224 0.08781 129 3PZ 0.00532 0.02431 0.01870 0.18770 130 4XX -0.00166 0.00043 0.00392 -0.00248 0.00099 131 4YY -0.00023 0.00060 -0.00226 0.00064 -0.00046 132 4ZZ -0.01103 -0.00074 0.00020 0.00150 0.00007 133 4XY 0.00375 0.00438 0.00264 -0.00180 0.00040 134 4XZ -0.00272 -0.00207 -0.00214 -0.00497 -0.00016 135 4YZ -0.00270 -0.00085 0.00011 0.00182 -0.00003 136 10 C 1S -0.00124 0.02006 0.00275 -0.00403 0.00212 137 2S 0.01494 -0.02659 -0.01742 0.00743 -0.00549 138 2PX -0.11098 0.05507 0.03492 -0.00372 0.00628 139 2PY 0.16034 0.05179 -0.11334 0.01750 -0.00953 140 2PZ -0.00444 -0.00623 0.02073 0.06224 0.00033 141 3S -0.02201 -0.02935 -0.01264 0.00719 -0.00694 142 3PX 0.00259 0.00916 -0.00539 0.00470 0.00012 143 3PY -0.03834 -0.01370 0.01722 0.00463 -0.00239 144 3PZ 0.00530 0.00592 0.00302 0.02904 0.00037 145 4XX -0.02308 -0.00439 0.01182 -0.00089 0.00068 146 4YY 0.02927 0.00649 -0.01133 0.00382 -0.00039 147 4ZZ -0.00169 0.00160 -0.00066 -0.00359 0.00023 148 4XY -0.00432 -0.00036 0.00317 0.00189 0.00020 149 4XZ 0.00514 0.00151 -0.00295 0.00019 -0.00013 150 4YZ -0.00456 0.00156 0.00325 0.01145 -0.00008 151 11 C 1S 0.03171 0.00841 -0.01558 0.00085 -0.00113 152 2S -0.06451 -0.01232 0.02421 -0.00146 0.00205 153 2PX 0.14763 -0.00427 -0.07384 0.01015 -0.00426 154 2PY -0.06668 0.00048 0.00147 -0.00183 0.00293 155 2PZ -0.01616 -0.00113 0.01146 -0.01163 0.00107 156 3S -0.16173 -0.02518 0.08162 -0.00782 0.00563 157 3PX 0.09903 -0.00124 -0.05381 0.00531 -0.00362 158 3PY -0.02467 0.00820 -0.00528 -0.00319 0.00174 159 3PZ -0.01392 -0.00407 0.00783 -0.01752 0.00088 160 4XX -0.00353 -0.00069 0.00109 -0.00087 0.00007 161 4YY 0.00653 0.00099 -0.00173 0.00036 -0.00023 162 4ZZ 0.00090 -0.00090 -0.00120 0.00089 -0.00001 163 4XY 0.00008 -0.00147 0.00036 -0.00000 0.00016 164 4XZ 0.00091 -0.00032 -0.00097 -0.00242 -0.00000 165 4YZ -0.00099 0.00011 0.00016 0.00107 0.00003 166 12 H 1S 0.03687 -0.00125 -0.00226 0.00057 -0.00174 167 2S 0.07848 0.01551 -0.03107 0.00196 -0.00279 168 13 H 1S 0.00315 -0.00536 -0.01015 0.01094 -0.00008 169 2S 0.02457 -0.00271 -0.01833 0.00113 -0.00043 170 14 H 1S 0.00331 -0.00825 -0.01256 -0.00506 0.00068 171 2S 0.02476 -0.00204 -0.01769 0.00517 -0.00004 172 15 O 1S -0.00160 -0.00135 0.00447 -0.00044 -0.00043 173 2S 0.00614 -0.00786 -0.00573 0.00233 0.00115 174 2PX 0.16292 -0.01236 -0.07078 -0.00069 -0.00218 175 2PY -0.19523 -0.10433 0.13780 -0.01342 0.00110 176 2PZ -0.00012 0.00458 -0.01983 -0.07378 0.00149 177 3S 0.00175 0.02160 -0.01271 -0.00194 0.00188 178 3PX 0.11967 0.00134 -0.05654 -0.00336 -0.00185 179 3PY -0.14151 -0.05942 0.09513 -0.01357 0.00157 180 3PZ -0.00036 -0.00288 -0.01435 -0.06298 0.00103 181 4XX 0.00298 -0.00017 -0.00096 -0.00027 0.00012 182 4YY -0.00483 -0.00496 0.00362 0.00024 -0.00024 183 4ZZ 0.00067 0.00062 -0.00024 0.00052 0.00003 184 4XY -0.00077 -0.00352 0.00159 0.00010 -0.00009 185 4XZ -0.00035 0.00048 -0.00037 -0.00146 0.00005 186 4YZ 0.00110 0.00157 -0.00107 -0.00052 0.00010 187 16 H 1S 0.09003 0.07186 0.04916 -0.02049 0.00610 188 2S 0.00801 0.05041 0.05192 -0.01693 0.00592 189 17 H 1S -0.04468 0.00107 -0.00252 -0.00002 -0.00380 190 2S -0.03550 0.01060 -0.01456 0.00018 -0.00609 191 18 H 1S -0.03251 0.01809 -0.00053 -0.00372 -0.00116 192 2S -0.06015 0.01562 0.01756 -0.00437 -0.00096 193 19 C 1S -0.00506 0.00162 -0.00092 -0.00004 0.00000 194 2S 0.01288 -0.00546 0.00181 0.00048 0.00015 195 2PX 0.03789 -0.01677 0.00842 0.00424 0.00083 196 2PY -0.00782 0.00676 0.01327 -0.00192 0.00042 197 2PZ -0.00589 0.00423 -0.00251 0.01141 0.00004 198 3S 0.01093 -0.00908 0.00745 -0.00020 0.00052 199 3PX 0.02155 -0.00849 0.00563 0.00158 0.00042 200 3PY -0.00067 0.00173 0.00896 -0.00175 0.00046 201 3PZ -0.00360 0.00184 -0.00182 0.00369 -0.00010 202 4XX 0.00090 -0.00039 0.00040 -0.00061 -0.00001 203 4YY 0.00080 -0.00026 0.00013 0.00123 0.00003 204 4ZZ -0.00149 0.00060 -0.00017 -0.00073 -0.00002 205 4XY -0.00062 0.00080 -0.00018 0.00041 0.00009 206 4XZ -0.00028 -0.00041 -0.00038 -0.00256 -0.00003 207 4YZ -0.00025 0.00091 0.00075 0.00471 -0.00001 208 20 H 1S 0.01834 -0.00597 0.00727 0.00072 0.00046 209 2S 0.00680 0.00183 -0.00140 0.00170 0.00026 210 21 H 1S -0.00771 0.00050 -0.00128 -0.01865 -0.00037 211 2S -0.00627 -0.00298 -0.00332 -0.03209 -0.00053 212 22 H 1S -0.00873 0.00715 0.00279 0.01621 -0.00012 213 2S -0.00739 0.00857 0.00485 0.03023 -0.00021 214 23 H 1S 0.01094 -0.00336 0.00187 0.01774 -0.00023 215 2S 0.01550 -0.00243 0.00540 0.03292 -0.00071 216 24 H 1S -0.00226 0.00162 0.00458 0.00528 0.00030 217 2S 0.00174 0.00006 0.00091 0.00501 0.00001 218 25 H 1S 0.00056 -0.00067 -0.00195 -0.00131 -0.00008 219 2S 0.00361 0.00121 0.00081 0.01366 -0.00029 220 26 H 1S -0.00026 0.00063 0.00132 0.00130 0.00001 221 2S -0.00178 0.00089 0.00175 0.00315 0.00005 222 27 H 1S 0.00094 -0.00037 -0.00059 0.00018 0.00002 223 2S 0.00095 -0.00008 -0.00008 0.00310 0.00004 224 28 C 1S -0.00026 0.00020 0.00009 0.00040 0.00000 225 2S 0.00066 -0.00056 -0.00038 -0.00101 -0.00001 226 2PX 0.00103 -0.00074 -0.00080 -0.00136 -0.00001 227 2PY 0.00028 -0.00022 0.00012 0.00035 0.00003 228 2PZ 0.00022 -0.00023 0.00008 -0.00080 -0.00003 229 3S 0.00140 -0.00085 -0.00109 -0.00118 -0.00003 230 3PX 0.00092 -0.00038 -0.00051 0.00037 -0.00002 231 3PY 0.00032 -0.00044 -0.00001 -0.00057 0.00001 232 3PZ 0.00030 -0.00018 -0.00006 -0.00005 -0.00002 233 4XX -0.00001 0.00002 -0.00001 0.00004 -0.00000 234 4YY 0.00004 -0.00005 -0.00002 -0.00016 -0.00000 235 4ZZ -0.00004 0.00003 0.00002 0.00007 0.00000 236 4XY 0.00001 0.00000 0.00003 0.00011 0.00001 237 4XZ -0.00006 0.00007 -0.00002 0.00021 0.00001 238 4YZ 0.00005 -0.00007 0.00002 -0.00024 -0.00001 239 29 H 1S 0.00070 -0.00042 -0.00019 -0.00000 0.00002 240 2S -0.00017 0.00029 0.00020 0.00091 0.00003 241 30 H 1S -0.00048 0.00046 0.00010 0.00132 0.00005 242 2S -0.00069 0.00086 0.00017 0.00310 0.00008 243 31 H 1S 0.00025 -0.00036 0.00018 -0.00109 -0.00004 244 2S 0.00031 -0.00039 0.00037 -0.00125 -0.00009 245 32 H 1S -0.00014 0.00011 0.00019 0.00046 0.00001 246 2S -0.00001 0.00009 0.00010 0.00039 -0.00000 247 33 H 1S 0.00028 -0.00044 -0.00021 -0.00208 -0.00008 248 2S 0.00108 -0.00129 -0.00036 -0.00401 -0.00015 249 34 H 1S -0.00017 0.00021 -0.00040 0.00067 0.00004 250 2S -0.00017 0.00033 -0.00053 0.00138 0.00008 131 132 133 134 135 131 4YY 0.00112 132 4ZZ 0.00017 0.00081 133 4XY -0.00015 -0.00006 0.00153 134 4XZ 0.00012 0.00011 -0.00032 0.00043 135 4YZ -0.00008 0.00011 -0.00025 -0.00007 0.00031 136 10 C 1S -0.00664 0.00160 0.00317 -0.00059 0.00087 137 2S 0.01164 -0.00358 -0.00637 0.00137 -0.00151 138 2PX -0.00578 0.00162 -0.00738 0.00017 0.00145 139 2PY 0.00607 -0.00545 -0.00575 0.00170 -0.00199 140 2PZ -0.00160 0.00225 0.00102 -0.00010 -0.00636 141 3S 0.00990 -0.00179 -0.00889 0.00250 -0.00038 142 3PX 0.00145 0.00043 -0.00052 0.00012 -0.00078 143 3PY 0.00384 -0.00072 -0.00163 0.00059 -0.00109 144 3PZ -0.00182 0.00098 -0.00031 0.00008 -0.00335 145 4XX -0.00045 0.00025 0.00002 -0.00008 0.00023 146 4YY 0.00001 -0.00044 0.00022 -0.00017 0.00000 147 4ZZ -0.00059 0.00022 0.00008 0.00011 -0.00010 148 4XY 0.00030 0.00023 0.00082 -0.00021 -0.00003 149 4XZ 0.00002 -0.00013 -0.00006 0.00004 0.00031 150 4YZ -0.00003 0.00009 -0.00016 -0.00039 0.00050 151 11 C 1S 0.00055 -0.00038 0.00118 -0.00004 -0.00039 152 2S -0.00083 0.00059 -0.00218 0.00005 0.00066 153 2PX 0.00032 -0.00048 0.00626 0.00024 -0.00151 154 2PY -0.00062 0.00018 -0.00453 0.00054 0.00080 155 2PZ -0.00029 -0.00037 -0.00029 0.00227 -0.00114 156 3S -0.00408 0.00127 -0.00226 -0.00053 0.00135 157 3PX 0.00189 -0.00052 0.00265 0.00052 -0.00104 158 3PY -0.00084 0.00014 -0.00165 0.00018 0.00037 159 3PZ -0.00042 -0.00022 -0.00012 0.00145 -0.00069 160 4XX 0.00020 -0.00005 -0.00035 0.00007 0.00007 161 4YY 0.00007 -0.00007 0.00035 -0.00001 -0.00010 162 4ZZ -0.00010 0.00006 0.00004 -0.00005 -0.00002 163 4XY -0.00021 0.00009 0.00018 -0.00001 0.00004 164 4XZ 0.00001 -0.00007 0.00010 0.00009 0.00012 165 4YZ 0.00000 -0.00001 -0.00008 0.00006 -0.00002 166 12 H 1S 0.00045 -0.00020 0.00266 -0.00011 -0.00061 167 2S 0.00110 -0.00062 0.00239 0.00006 -0.00075 168 13 H 1S -0.00041 0.00054 -0.00010 -0.00122 0.00041 169 2S -0.00038 0.00037 0.00036 -0.00062 -0.00040 170 14 H 1S -0.00055 -0.00009 0.00018 0.00118 -0.00018 171 2S -0.00017 -0.00023 0.00069 0.00059 0.00034 172 15 O 1S -0.00094 -0.00028 -0.00065 0.00014 0.00024 173 2S 0.00148 0.00056 0.00131 -0.00035 -0.00042 174 2PX 0.00212 0.00064 0.00041 0.00119 -0.00226 175 2PY 0.00619 0.00068 0.00749 -0.00076 -0.00404 176 2PZ -0.00407 0.00128 -0.00247 0.00413 -0.00940 177 3S 0.00093 0.00045 0.00154 -0.00056 -0.00039 178 3PX 0.00118 0.00006 -0.00017 0.00093 -0.00142 179 3PY 0.00329 0.00060 0.00523 -0.00065 -0.00254 180 3PZ -0.00251 0.00077 -0.00153 0.00302 -0.00618 181 4XX -0.00021 0.00010 -0.00022 0.00007 -0.00004 182 4YY 0.00040 -0.00007 0.00021 0.00002 -0.00025 183 4ZZ -0.00014 -0.00002 -0.00002 -0.00007 0.00029 184 4XY 0.00038 0.00002 0.00008 0.00004 -0.00023 185 4XZ -0.00017 0.00005 -0.00003 0.00013 -0.00037 186 4YZ -0.00030 0.00010 -0.00013 0.00010 -0.00035 187 16 H 1S -0.00071 -0.00495 0.01489 -0.00483 -0.00366 188 2S -0.00060 -0.00140 0.01429 -0.00391 -0.00290 189 17 H 1S 0.00759 0.00023 -0.00769 0.00209 0.00016 190 2S 0.00836 0.00092 -0.00572 0.00244 -0.00022 191 18 H 1S 0.00166 0.00024 -0.00032 0.00034 -0.00019 192 2S 0.00177 0.00011 -0.00137 0.00047 -0.00006 193 19 C 1S 0.00008 0.00007 -0.00002 0.00001 0.00000 194 2S -0.00025 -0.00024 0.00001 -0.00008 -0.00000 195 2PX -0.00101 -0.00051 0.00049 -0.00022 -0.00007 196 2PY -0.00072 0.00033 0.00084 -0.00005 -0.00001 197 2PZ 0.00017 -0.00012 -0.00013 0.00073 -0.00030 198 3S -0.00070 -0.00064 -0.00041 -0.00018 0.00008 199 3PX -0.00066 -0.00034 0.00018 -0.00013 -0.00002 200 3PY -0.00088 0.00020 0.00099 -0.00018 -0.00001 201 3PZ 0.00018 0.00002 -0.00015 0.00007 -0.00005 202 4XX -0.00000 0.00001 0.00001 -0.00001 0.00001 203 4YY -0.00005 -0.00003 0.00001 -0.00001 -0.00000 204 4ZZ 0.00001 0.00002 -0.00001 0.00002 -0.00000 205 4XY -0.00005 0.00001 0.00009 -0.00003 -0.00001 206 4XZ 0.00002 0.00001 -0.00002 -0.00005 0.00003 207 4YZ 0.00001 -0.00000 -0.00001 0.00004 -0.00002 208 20 H 1S -0.00049 -0.00017 0.00039 -0.00018 -0.00003 209 2S 0.00007 0.00006 0.00020 -0.00011 -0.00002 210 21 H 1S 0.00021 0.00022 -0.00013 -0.00033 0.00022 211 2S 0.00034 0.00026 -0.00024 -0.00039 0.00028 212 22 H 1S 0.00013 0.00005 -0.00008 0.00051 -0.00018 213 2S 0.00026 0.00004 -0.00019 0.00069 -0.00025 214 23 H 1S 0.00012 -0.00016 -0.00026 0.00031 -0.00012 215 2S 0.00031 -0.00019 -0.00063 0.00046 -0.00009 216 24 H 1S -0.00016 -0.00001 0.00010 0.00001 -0.00005 217 2S 0.00015 -0.00005 -0.00009 0.00004 -0.00005 218 25 H 1S 0.00005 -0.00002 -0.00004 0.00006 -0.00002 219 2S 0.00018 -0.00007 -0.00023 0.00029 -0.00010 220 26 H 1S -0.00006 0.00001 0.00003 0.00008 -0.00004 221 2S -0.00006 0.00001 0.00002 0.00012 -0.00008 222 27 H 1S -0.00002 -0.00001 0.00001 -0.00001 -0.00000 223 2S -0.00002 -0.00001 0.00002 -0.00001 -0.00000 224 28 C 1S -0.00001 -0.00000 0.00000 0.00000 -0.00000 225 2S 0.00001 -0.00001 -0.00001 -0.00001 0.00000 226 2PX 0.00002 -0.00000 0.00000 -0.00002 0.00001 227 2PY -0.00000 -0.00000 0.00000 -0.00002 0.00000 228 2PZ 0.00001 0.00000 -0.00001 -0.00002 0.00002 229 3S 0.00005 -0.00000 0.00001 -0.00004 0.00003 230 3PX 0.00002 -0.00000 -0.00000 -0.00001 0.00001 231 3PY -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 232 3PZ 0.00002 0.00000 -0.00001 -0.00000 0.00001 233 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 234 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 235 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 236 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 237 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 238 4YZ 0.00000 -0.00000 -0.00001 -0.00000 0.00000 239 29 H 1S -0.00000 -0.00000 0.00000 -0.00001 -0.00000 240 2S -0.00000 0.00001 0.00001 0.00000 -0.00000 241 30 H 1S -0.00002 -0.00000 0.00002 0.00002 -0.00002 242 2S -0.00003 -0.00000 0.00003 0.00004 -0.00004 243 31 H 1S 0.00001 0.00000 -0.00003 -0.00002 0.00002 244 2S 0.00003 0.00000 -0.00004 -0.00003 0.00003 245 32 H 1S -0.00001 -0.00000 -0.00000 0.00000 -0.00000 246 2S 0.00000 -0.00000 0.00000 -0.00001 0.00000 247 33 H 1S 0.00003 0.00001 -0.00003 -0.00003 0.00003 248 2S 0.00006 0.00000 -0.00007 -0.00004 0.00005 249 34 H 1S -0.00001 -0.00000 0.00002 0.00001 -0.00001 250 2S -0.00003 -0.00000 0.00004 0.00002 -0.00003 136 137 138 139 140 136 10 C 1S 2.05358 137 2S -0.07293 0.36055 138 2PX -0.00278 0.00627 0.42083 139 2PY -0.00367 0.00457 -0.00531 0.42244 140 2PZ 0.00106 -0.00182 -0.02647 -0.02238 0.27655 141 3S -0.14240 0.25526 0.02191 0.04775 -0.01124 142 3PX -0.03542 0.05316 0.03676 -0.02313 0.02362 143 3PY -0.03799 0.05769 -0.01411 0.05535 0.01683 144 3PZ 0.01211 -0.01827 0.02220 0.01829 0.14199 145 4XX -0.01452 -0.00764 0.01033 -0.00816 -0.00414 146 4YY -0.01483 -0.00564 -0.00982 0.00958 -0.00197 147 4ZZ -0.01020 -0.01801 0.00567 0.00519 0.00400 148 4XY -0.00023 0.00238 -0.01545 -0.01804 0.00222 149 4XZ 0.00098 -0.00266 -0.00068 0.00383 -0.01123 150 4YZ 0.00090 -0.00272 0.00391 0.00121 -0.00903 151 11 C 1S 0.01239 -0.02301 -0.06065 0.01803 0.00812 152 2S -0.02333 0.04007 0.11553 -0.03622 -0.01519 153 2PX 0.06908 -0.14756 -0.29075 0.08217 0.04761 154 2PY -0.01563 0.03468 0.07666 -0.00892 -0.00557 155 2PZ -0.00998 0.02113 0.04842 -0.00655 0.03725 156 3S 0.00355 0.00322 0.19008 -0.06390 -0.02434 157 3PX 0.01534 -0.04198 -0.16525 0.05049 0.02548 158 3PY 0.00329 -0.00157 0.04519 0.00671 -0.00612 159 3PZ -0.00324 0.00774 0.02625 -0.00703 0.01630 160 4XX -0.00644 0.01177 0.00710 -0.00534 -0.00237 161 4YY 0.00182 -0.00447 -0.00676 0.00535 0.00096 162 4ZZ 0.00228 -0.00503 -0.00693 0.00094 0.00245 163 4XY 0.00231 -0.00518 -0.00653 -0.00655 0.00161 164 4XZ 0.00149 -0.00275 -0.00309 0.00140 -0.00568 165 4YZ -0.00030 0.00077 0.00145 0.00076 0.00187 166 12 H 1S 0.00684 -0.01913 -0.02931 0.01674 0.00271 167 2S 0.01236 -0.02797 -0.04886 0.05343 0.00065 168 13 H 1S 0.00813 -0.02120 -0.03136 -0.00090 -0.00312 169 2S 0.01130 -0.02379 -0.05068 0.00112 0.01832 170 14 H 1S 0.00813 -0.02119 -0.02834 0.00166 0.01369 171 2S 0.01130 -0.02378 -0.05384 -0.00156 0.00045 172 15 O 1S 0.01185 -0.01306 0.03313 0.03462 -0.01117 173 2S -0.02020 0.02201 -0.07683 -0.08219 0.02621 174 2PX -0.06646 0.15022 -0.12378 -0.21109 0.11220 175 2PY -0.07238 0.15310 -0.21621 -0.15957 0.11208 176 2PZ 0.02286 -0.05007 0.11299 0.11113 0.28760 177 3S -0.01020 -0.03398 -0.01292 -0.00395 0.00299 178 3PX -0.03673 0.07627 -0.06675 -0.09679 0.06306 179 3PY -0.04112 0.07868 -0.10621 -0.08889 0.06328 180 3PZ 0.01279 -0.02555 0.06434 0.06154 0.18228 181 4XX -0.00157 0.00523 0.00574 -0.01209 0.00515 182 4YY -0.00270 0.00694 -0.01412 0.00172 0.00643 183 4ZZ 0.00359 -0.00422 0.00091 -0.00010 -0.00863 184 4XY -0.00720 0.01355 -0.00812 -0.01035 0.00798 185 4XZ 0.00230 -0.00427 0.00319 0.00663 0.01153 186 4YZ 0.00251 -0.00460 0.00730 0.00432 0.01314 187 16 H 1S 0.01292 -0.03161 -0.00270 -0.04527 0.00733 188 2S 0.01389 -0.03549 -0.02348 -0.08786 0.01758 189 17 H 1S -0.00958 0.02027 -0.01273 0.03637 -0.00329 190 2S -0.01240 0.02685 -0.02463 0.06091 -0.00465 191 18 H 1S -0.00080 0.00108 0.00329 0.00073 -0.00090 192 2S 0.00489 -0.01448 0.04345 0.02805 -0.01104 193 19 C 1S -0.00026 0.00047 -0.00064 0.00158 -0.00010 194 2S 0.00032 -0.00063 0.00097 -0.00325 0.00026 195 2PX 0.00166 -0.00358 0.00332 -0.00792 0.00193 196 2PY 0.00088 -0.00232 0.00102 -0.00167 0.00093 197 2PZ -0.00037 0.00092 0.00052 0.00243 0.00600 198 3S 0.00336 -0.00735 0.00939 -0.00907 -0.00044 199 3PX 0.00119 -0.00288 0.00531 -0.00687 0.00114 200 3PY 0.00018 -0.00074 -0.00065 -0.00668 0.00151 201 3PZ -0.00018 0.00048 -0.00006 0.00216 0.00277 202 4XX -0.00005 0.00004 -0.00017 0.00003 -0.00023 203 4YY 0.00009 -0.00020 0.00033 -0.00028 0.00034 204 4ZZ -0.00009 0.00012 -0.00017 0.00017 -0.00012 205 4XY 0.00012 -0.00017 0.00004 -0.00043 0.00017 206 4XZ -0.00002 0.00002 -0.00017 -0.00009 -0.00102 207 4YZ -0.00005 0.00008 0.00018 0.00036 0.00139 208 20 H 1S 0.00083 -0.00180 0.00069 -0.00357 0.00072 209 2S 0.00015 0.00001 -0.00103 0.00526 -0.00039 210 21 H 1S -0.00037 0.00067 -0.00187 0.00067 -0.00700 211 2S -0.00060 0.00105 -0.00269 0.00175 -0.01118 212 22 H 1S -0.00040 0.00080 0.00045 0.00285 0.00640 213 2S -0.00064 0.00121 0.00101 0.00564 0.01046 214 23 H 1S -0.00022 0.00048 0.00088 0.00114 0.00549 215 2S -0.00072 0.00156 0.00013 0.00208 0.00955 216 24 H 1S 0.00013 -0.00052 0.00064 0.00001 0.00202 217 2S -0.00035 0.00120 -0.00435 -0.00130 0.00256 218 25 H 1S -0.00005 0.00021 -0.00016 0.00010 -0.00018 219 2S -0.00037 0.00085 0.00003 0.00088 0.00465 220 26 H 1S 0.00003 -0.00008 0.00011 -0.00005 0.00084 221 2S 0.00005 -0.00014 0.00019 0.00075 0.00203 222 27 H 1S 0.00002 -0.00001 0.00005 -0.00012 0.00002 223 2S 0.00003 -0.00007 0.00057 0.00042 0.00048 224 28 C 1S 0.00000 -0.00001 0.00004 0.00002 0.00015 225 2S -0.00001 0.00002 -0.00004 -0.00004 -0.00031 226 2PX -0.00000 0.00004 -0.00012 -0.00008 -0.00054 227 2PY 0.00000 -0.00003 0.00003 0.00000 0.00005 228 2PZ -0.00001 0.00001 -0.00007 -0.00007 -0.00038 229 3S -0.00001 0.00019 -0.00044 -0.00008 -0.00111 230 3PX -0.00003 0.00013 -0.00017 -0.00003 -0.00014 231 3PY 0.00001 -0.00005 0.00006 -0.00011 0.00022 232 3PZ -0.00003 0.00009 -0.00017 0.00019 -0.00015 233 4XX -0.00000 0.00001 -0.00000 -0.00001 0.00002 234 4YY -0.00000 0.00001 -0.00001 0.00000 -0.00007 235 4ZZ 0.00000 -0.00000 0.00001 0.00001 0.00004 236 4XY 0.00000 -0.00001 0.00002 0.00000 0.00006 237 4XZ 0.00000 -0.00001 0.00002 0.00000 0.00009 238 4YZ -0.00001 0.00001 -0.00002 -0.00000 -0.00010 239 29 H 1S 0.00001 -0.00002 0.00001 -0.00004 -0.00000 240 2S -0.00001 -0.00001 0.00008 0.00021 0.00009 241 30 H 1S 0.00002 -0.00004 0.00012 0.00006 0.00058 242 2S 0.00002 -0.00003 0.00019 0.00019 0.00115 243 31 H 1S -0.00002 0.00003 -0.00009 -0.00004 -0.00047 244 2S -0.00005 0.00006 -0.00012 -0.00007 -0.00063 245 32 H 1S 0.00000 -0.00002 0.00005 0.00003 0.00017 246 2S 0.00001 0.00000 -0.00006 -0.00004 0.00001 247 33 H 1S -0.00003 0.00007 -0.00019 -0.00007 -0.00087 248 2S -0.00007 0.00016 -0.00037 -0.00008 -0.00159 249 34 H 1S 0.00002 -0.00002 0.00006 -0.00001 0.00030 250 2S 0.00003 -0.00004 0.00011 -0.00004 0.00062 141 142 143 144 145 141 3S 0.22469 142 3PX 0.02886 0.02438 143 3PY 0.05764 -0.00509 0.05523 144 3PZ -0.01396 0.01141 0.00529 0.08076 145 4XX -0.00426 -0.00366 0.00664 -0.00257 0.00386 146 4YY -0.00633 0.00165 -0.00912 -0.00032 -0.00305 147 4ZZ -0.01035 -0.00191 -0.00200 0.00428 0.00029 148 4XY -0.00445 0.00193 -0.00136 -0.00219 -0.00003 149 4XZ -0.00060 -0.00139 -0.00280 -0.00612 -0.00035 150 4YZ 0.00009 -0.00207 0.00057 -0.00476 0.00084 151 11 C 1S -0.00184 0.00156 -0.01102 0.00139 -0.00822 152 2S 0.01575 0.00742 0.01322 -0.00334 0.01456 153 2PX -0.12904 -0.03509 -0.03622 0.01275 -0.01112 154 2PY 0.01158 0.01895 -0.00804 -0.00135 0.00585 155 2PZ 0.02132 0.00437 0.00847 0.00349 0.00511 156 3S -0.00198 -0.00973 0.04177 -0.00459 0.02947 157 3PX -0.04092 -0.01027 -0.02143 0.00548 -0.01023 158 3PY -0.01034 0.00865 -0.00951 0.00022 0.00232 159 3PZ 0.00887 0.00092 0.00558 0.00130 0.00331 160 4XX 0.00846 0.00260 0.00046 -0.00184 -0.00005 161 4YY -0.00299 -0.00167 0.00049 0.00031 -0.00031 162 4ZZ -0.00486 -0.00087 -0.00097 0.00152 -0.00003 163 4XY -0.00536 -0.00055 -0.00272 -0.00007 0.00003 164 4XZ -0.00198 -0.00145 -0.00056 -0.00375 0.00030 165 4YZ 0.00059 0.00024 0.00025 0.00035 0.00024 166 12 H 1S -0.01100 -0.01280 0.00992 0.00080 0.00067 167 2S -0.01843 -0.00725 -0.00547 0.00213 -0.00695 168 13 H 1S -0.03123 -0.00174 -0.00914 0.00753 0.00054 169 2S -0.02924 0.00127 -0.01518 0.01706 -0.00464 170 14 H 1S -0.03120 -0.00376 -0.01089 -0.00353 0.00516 171 2S -0.02920 -0.00386 -0.01954 -0.01135 -0.00004 172 15 O 1S 0.02604 -0.00576 0.00096 0.00089 -0.00239 173 2S -0.07315 0.02689 0.00810 -0.00604 0.00288 174 2PX 0.07617 0.07178 -0.11555 0.03868 -0.03941 175 2PY 0.12064 -0.02407 0.12455 0.01425 0.02376 176 2PZ -0.03200 0.02493 0.03072 0.18109 -0.00308 177 3S -0.12204 0.02350 0.02119 -0.00738 0.00851 178 3PX 0.03866 0.04270 -0.07537 0.02533 -0.02594 179 3PY 0.06553 -0.01840 0.08442 0.00871 0.01837 180 3PZ -0.01689 0.01671 0.01894 0.11425 -0.00248 181 4XX 0.00398 0.00339 -0.00608 0.00281 -0.00141 182 4YY 0.00745 -0.00234 0.00674 0.00179 0.00074 183 4ZZ -0.00205 -0.00154 -0.00222 -0.00426 0.00006 184 4XY 0.00864 0.00268 0.00119 0.00219 -0.00053 185 4XZ -0.00274 0.00015 0.00197 0.00720 0.00012 186 4YZ -0.00336 0.00141 -0.00028 0.00848 -0.00033 187 16 H 1S -0.06915 0.00851 -0.01131 0.00020 -0.00049 188 2S -0.06897 0.00656 -0.00740 -0.00000 0.00319 189 17 H 1S 0.05555 0.00646 0.02687 -0.00524 -0.00262 190 2S 0.06093 0.00388 0.02719 -0.00469 -0.00441 191 18 H 1S 0.01588 -0.00743 -0.00103 0.00142 -0.00108 192 2S 0.00721 -0.01173 0.02313 -0.00082 0.00612 193 19 C 1S 0.00106 -0.00011 0.00158 -0.00023 0.00003 194 2S -0.00218 0.00066 -0.00302 0.00033 -0.00019 195 2PX -0.01021 0.00304 -0.00573 0.00119 0.00038 196 2PY 0.00179 -0.00318 0.00572 0.00030 0.00096 197 2PZ 0.00069 0.00066 0.00039 0.00421 -0.00014 198 3S -0.00674 -0.00205 -0.00301 0.00078 0.00115 199 3PX -0.00573 0.00186 -0.00425 0.00098 0.00008 200 3PY -0.00131 -0.00139 0.00174 0.00027 0.00068 201 3PZ 0.00066 0.00024 0.00057 0.00200 -0.00010 202 4XX 0.00016 0.00009 0.00012 -0.00017 -0.00001 203 4YY -0.00057 0.00006 -0.00027 0.00020 0.00004 204 4ZZ 0.00045 -0.00022 0.00026 -0.00005 -0.00000 205 4XY -0.00067 -0.00025 -0.00046 0.00016 -0.00001 206 4XZ 0.00016 -0.00012 0.00002 -0.00057 -0.00000 207 4YZ 0.00027 0.00013 0.00027 0.00067 0.00001 208 20 H 1S -0.00370 0.00054 -0.00205 0.00039 0.00007 209 2S -0.00189 0.00055 -0.00155 0.00023 -0.00055 210 21 H 1S 0.00394 -0.00172 0.00201 -0.00419 -0.00005 211 2S 0.00468 -0.00138 0.00263 -0.00628 -0.00007 212 22 H 1S 0.00346 -0.00038 0.00289 0.00365 0.00005 213 2S 0.00429 0.00063 0.00430 0.00543 0.00012 214 23 H 1S -0.00039 0.00241 -0.00049 0.00258 -0.00004 215 2S 0.00345 0.00305 -0.00007 0.00437 -0.00043 216 24 H 1S 0.00138 -0.00060 0.00225 0.00073 0.00010 217 2S 0.00287 0.00012 -0.00033 0.00073 -0.00068 218 25 H 1S -0.00064 0.00053 -0.00060 0.00016 -0.00003 219 2S 0.00140 0.00121 -0.00050 0.00245 -0.00032 220 26 H 1S 0.00067 -0.00042 0.00031 0.00038 0.00004 221 2S 0.00082 -0.00057 0.00113 0.00097 0.00017 222 27 H 1S -0.00067 0.00012 -0.00053 0.00006 0.00001 223 2S -0.00074 0.00027 -0.00025 0.00028 0.00009 224 28 C 1S 0.00001 -0.00009 0.00006 0.00008 -0.00000 225 2S -0.00020 0.00020 -0.00017 -0.00016 -0.00000 226 2PX -0.00038 0.00047 -0.00043 -0.00029 -0.00000 227 2PY -0.00006 0.00021 0.00012 -0.00007 -0.00000 228 2PZ 0.00018 -0.00013 -0.00001 -0.00024 -0.00001 229 3S -0.00047 0.00039 -0.00061 -0.00061 -0.00004 230 3PX -0.00023 0.00035 -0.00038 -0.00010 -0.00002 231 3PY -0.00006 0.00014 0.00006 0.00010 -0.00001 232 3PZ 0.00013 0.00007 0.00004 -0.00011 -0.00001 233 4XX 0.00000 0.00001 -0.00000 0.00001 -0.00000 234 4YY 0.00002 0.00000 -0.00000 -0.00004 -0.00000 235 4ZZ 0.00000 -0.00000 0.00002 0.00002 0.00000 236 4XY -0.00002 0.00002 0.00001 0.00003 0.00000 237 4XZ -0.00006 0.00002 -0.00001 0.00005 0.00000 238 4YZ 0.00007 -0.00004 0.00001 -0.00005 -0.00000 239 29 H 1S -0.00024 0.00036 -0.00013 -0.00005 0.00001 240 2S 0.00003 0.00016 0.00015 -0.00002 0.00002 241 30 H 1S -0.00020 0.00002 0.00009 0.00034 0.00001 242 2S -0.00037 0.00016 0.00012 0.00064 0.00002 243 31 H 1S 0.00033 -0.00020 0.00010 -0.00030 -0.00001 244 2S 0.00063 -0.00035 0.00012 -0.00040 -0.00003 245 32 H 1S 0.00001 -0.00006 0.00011 0.00008 -0.00000 246 2S -0.00003 -0.00007 0.00000 -0.00001 -0.00000 247 33 H 1S 0.00034 -0.00019 -0.00012 -0.00048 -0.00002 248 2S 0.00068 -0.00024 -0.00015 -0.00088 -0.00004 249 34 H 1S -0.00045 0.00022 -0.00017 0.00020 0.00001 250 2S -0.00075 0.00038 -0.00023 0.00039 0.00002 146 147 148 149 150 146 4YY 0.00411 147 4ZZ 0.00015 0.00149 148 4XY 0.00008 -0.00080 0.00263 149 4XZ 0.00088 -0.00023 -0.00025 0.00125 150 4YZ -0.00029 -0.00028 -0.00024 0.00062 0.00158 151 11 C 1S 0.00475 0.00101 0.00295 0.00148 -0.00117 152 2S -0.00995 -0.00234 -0.00550 -0.00268 0.00229 153 2PX 0.01836 0.00338 0.00838 0.00414 -0.00405 154 2PY -0.00856 -0.00069 0.01033 -0.00094 -0.00046 155 2PZ -0.00200 -0.00449 -0.00111 0.01192 0.00039 156 3S -0.02426 -0.00004 -0.00822 -0.00485 0.00571 157 3PX 0.01263 0.00024 0.00445 0.00258 -0.00312 158 3PY -0.00280 0.00074 0.00461 -0.00011 -0.00033 159 3PZ -0.00208 -0.00174 -0.00077 0.00532 -0.00050 160 4XX -0.00036 -0.00059 0.00029 0.00013 -0.00001 161 4YY 0.00074 0.00008 -0.00052 0.00032 0.00002 162 4ZZ 0.00007 0.00032 0.00049 -0.00046 -0.00018 163 4XY 0.00021 0.00002 0.00072 0.00013 -0.00010 164 4XZ 0.00012 -0.00018 0.00012 0.00078 0.00020 165 4YZ -0.00012 -0.00019 0.00016 0.00044 0.00009 166 12 H 1S 0.00373 -0.00030 -0.00826 0.00110 0.00082 167 2S 0.01038 0.00066 -0.00583 0.00252 -0.00060 168 13 H 1S -0.00032 0.00271 0.00228 -0.00831 -0.00092 169 2S 0.00298 0.00332 0.00293 -0.00724 -0.00315 170 14 H 1S -0.00003 -0.00219 0.00473 0.00609 -0.00027 171 2S 0.00405 -0.00234 0.00590 0.00699 0.00044 172 15 O 1S -0.00342 0.00329 -0.01084 0.00300 0.00327 173 2S 0.00591 -0.00745 0.02202 -0.00584 -0.00659 174 2PX 0.02907 -0.00764 0.01142 0.00049 -0.01324 175 2PY -0.03736 -0.00919 0.01209 -0.01247 -0.00138 176 2PZ -0.00581 0.01556 -0.01136 -0.01796 -0.02018 177 3S 0.00542 -0.00415 0.02053 -0.00608 -0.00565 178 3PX 0.02032 -0.00325 0.00515 0.00105 -0.00830 179 3PY -0.02637 -0.00434 0.00612 -0.00814 -0.00008 180 3PZ -0.00397 0.00990 -0.00693 -0.01205 -0.01425 181 4XX 0.00088 -0.00007 -0.00011 0.00002 -0.00044 182 4YY -0.00150 -0.00026 0.00005 -0.00049 -0.00005 183 4ZZ 0.00025 0.00002 -0.00016 0.00056 0.00054 184 4XY -0.00027 -0.00069 0.00077 -0.00048 -0.00054 185 4XZ -0.00034 0.00066 -0.00045 -0.00064 -0.00063 186 4YZ 0.00010 0.00075 -0.00051 -0.00067 -0.00072 187 16 H 1S 0.00368 -0.00017 0.00714 -0.00111 -0.00205 188 2S -0.00197 -0.00020 0.00968 -0.00228 -0.00153 189 17 H 1S -0.00014 -0.00034 0.00062 0.00038 -0.00015 190 2S 0.00134 -0.00049 0.00012 0.00080 -0.00035 191 18 H 1S 0.00063 -0.00004 0.00008 0.00020 -0.00016 192 2S -0.00524 0.00112 -0.00160 -0.00081 0.00145 193 19 C 1S -0.00006 -0.00004 0.00006 -0.00002 -0.00000 194 2S 0.00017 0.00002 -0.00008 0.00006 -0.00002 195 2PX -0.00016 0.00003 -0.00026 0.00002 0.00028 196 2PY -0.00038 -0.00009 0.00008 -0.00021 0.00014 197 2PZ 0.00030 -0.00027 0.00023 0.00017 0.00079 198 3S -0.00070 0.00029 -0.00045 -0.00013 0.00020 199 3PX 0.00013 0.00009 -0.00022 0.00002 0.00008 200 3PY -0.00035 -0.00012 0.00014 -0.00020 0.00000 201 3PZ 0.00008 -0.00005 0.00006 -0.00004 0.00025 202 4XX 0.00000 0.00001 -0.00001 -0.00000 -0.00004 203 4YY 0.00000 -0.00002 -0.00000 0.00001 0.00008 204 4ZZ -0.00000 0.00001 -0.00000 -0.00001 -0.00004 205 4XY 0.00002 -0.00001 0.00003 0.00000 0.00003 206 4XZ -0.00005 0.00005 -0.00004 -0.00002 -0.00016 207 4YZ 0.00009 -0.00010 0.00006 0.00004 0.00030 208 20 H 1S 0.00007 -0.00001 -0.00006 0.00001 0.00005 209 2S 0.00052 -0.00001 0.00005 0.00014 0.00005 210 21 H 1S -0.00029 0.00035 -0.00022 -0.00019 -0.00120 211 2S -0.00055 0.00062 -0.00044 -0.00031 -0.00202 212 22 H 1S 0.00034 -0.00040 0.00030 0.00015 0.00110 213 2S 0.00052 -0.00066 0.00042 0.00027 0.00196 214 23 H 1S 0.00030 -0.00032 0.00011 0.00020 0.00103 215 2S 0.00101 -0.00070 0.00020 0.00045 0.00197 216 24 H 1S -0.00001 -0.00013 0.00009 0.00003 0.00035 217 2S 0.00056 -0.00021 0.00023 0.00014 0.00016 218 25 H 1S -0.00003 0.00003 -0.00005 0.00001 -0.00006 219 2S 0.00054 -0.00030 0.00012 0.00021 0.00080 220 26 H 1S 0.00004 -0.00003 0.00000 0.00001 0.00006 221 2S -0.00008 -0.00004 0.00001 -0.00003 0.00016 222 27 H 1S -0.00000 0.00001 0.00002 -0.00000 0.00000 223 2S -0.00002 -0.00005 0.00004 0.00003 0.00022 224 28 C 1S 0.00001 -0.00001 0.00001 0.00000 0.00002 225 2S -0.00002 0.00003 -0.00002 -0.00001 -0.00007 226 2PX -0.00003 0.00004 -0.00002 -0.00001 -0.00009 227 2PY -0.00001 -0.00000 0.00000 0.00000 0.00002 228 2PZ -0.00001 0.00002 -0.00002 -0.00001 -0.00005 229 3S -0.00001 0.00001 0.00001 0.00003 -0.00005 230 3PX 0.00002 -0.00001 0.00001 0.00002 0.00003 231 3PY -0.00002 0.00003 -0.00002 -0.00003 -0.00006 232 3PZ 0.00000 -0.00000 0.00000 0.00001 -0.00000 233 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 234 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00001 235 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 236 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00001 237 4XZ 0.00000 -0.00000 0.00001 0.00000 0.00001 238 4YZ -0.00000 0.00000 -0.00001 -0.00000 -0.00002 239 29 H 1S -0.00001 0.00001 -0.00000 -0.00000 -0.00001 240 2S 0.00001 -0.00002 0.00002 0.00002 0.00007 241 30 H 1S 0.00002 -0.00003 0.00003 0.00001 0.00008 242 2S 0.00004 -0.00007 0.00006 0.00003 0.00020 243 31 H 1S -0.00001 0.00002 -0.00003 -0.00001 -0.00007 244 2S 0.00000 0.00002 -0.00004 -0.00001 -0.00008 245 32 H 1S 0.00001 -0.00001 0.00001 0.00000 0.00003 246 2S 0.00001 -0.00001 0.00002 0.00001 0.00003 247 33 H 1S -0.00002 0.00004 -0.00004 -0.00002 -0.00013 248 2S -0.00004 0.00008 -0.00009 -0.00003 -0.00026 249 34 H 1S -0.00000 -0.00001 0.00002 0.00001 0.00004 250 2S 0.00000 -0.00002 0.00004 0.00001 0.00009 151 152 153 154 155 151 11 C 1S 2.05158 152 2S -0.05369 0.30092 153 2PX 0.00167 -0.00265 0.39576 154 2PY 0.00234 -0.00593 0.00499 0.41171 155 2PZ -0.00065 0.00137 -0.00043 -0.00304 0.39802 156 3S -0.19747 0.31086 -0.09991 0.00665 0.01690 157 3PX 0.00602 -0.00633 0.21175 -0.00757 -0.00313 158 3PY 0.00016 -0.00352 0.01087 0.20037 -0.00380 159 3PZ -0.00110 0.00166 -0.00591 -0.00053 0.18883 160 4XX -0.01679 -0.00436 -0.01225 0.00857 0.00571 161 4YY -0.01901 0.00078 0.00698 -0.02036 0.00615 162 4ZZ -0.01899 0.00063 0.01096 0.01073 -0.01271 163 4XY -0.00071 0.00142 0.01099 0.00809 0.00212 164 4XZ -0.00036 0.00083 0.00633 0.00196 0.01319 165 4YZ 0.00012 -0.00026 0.00204 0.00679 0.01436 166 12 H 1S -0.05457 0.10620 0.03327 -0.26238 0.03365 167 2S -0.00450 0.01930 0.05455 -0.20742 0.02157 168 13 H 1S -0.05239 0.10047 0.07645 0.07052 -0.24188 169 2S -0.00505 0.02014 0.06910 0.05661 -0.20635 170 14 H 1S -0.05239 0.10047 0.15016 0.13276 0.17072 171 2S -0.00505 0.02014 0.13189 0.10962 0.14528 172 15 O 1S -0.00256 0.00507 -0.00965 -0.00523 0.00252 173 2S 0.00700 -0.01356 0.02890 0.01465 -0.00739 174 2PX 0.03225 -0.06412 0.11611 0.00233 -0.02914 175 2PY -0.01345 0.02647 -0.03803 -0.00485 0.00071 176 2PZ -0.00373 0.00746 -0.02305 -0.00650 -0.03983 177 3S -0.00022 -0.00042 0.01107 0.02210 -0.00535 178 3PX 0.02145 -0.04385 0.08329 0.00185 -0.02196 179 3PY -0.01302 0.02692 -0.04379 0.00122 0.00192 180 3PZ -0.00186 0.00376 -0.01499 -0.00624 -0.03414 181 4XX 0.00004 -0.00016 -0.00308 0.00077 0.00046 182 4YY 0.00049 -0.00054 0.00316 -0.00145 -0.00066 183 4ZZ 0.00005 -0.00044 0.00111 0.00132 -0.00012 184 4XY 0.00027 -0.00054 -0.00068 0.00098 -0.00023 185 4XZ -0.00004 0.00003 0.00100 -0.00002 -0.00005 186 4YZ -0.00013 0.00012 -0.00043 0.00013 -0.00109 187 16 H 1S 0.00371 -0.00958 0.00723 -0.01659 0.00125 188 2S -0.00051 0.00035 0.01293 -0.00514 -0.00154 189 17 H 1S 0.00272 -0.00553 0.01430 -0.00388 -0.00195 190 2S 0.00552 -0.01112 0.02649 -0.01350 -0.00273 191 18 H 1S 0.00102 -0.00256 0.00281 -0.00024 -0.00041 192 2S -0.00684 0.01337 -0.03870 -0.00156 0.00680 193 19 C 1S 0.00001 -0.00002 0.00021 -0.00036 0.00001 194 2S -0.00001 -0.00022 -0.00005 0.00077 -0.00007 195 2PX -0.00072 0.00105 -0.00327 0.00114 0.00008 196 2PY -0.00083 0.00184 -0.00381 0.00015 0.00046 197 2PZ 0.00023 -0.00043 0.00075 -0.00045 -0.00169 198 3S -0.00137 0.00291 -0.00768 0.00147 0.00107 199 3PX -0.00054 0.00069 -0.00356 0.00173 0.00016 200 3PY -0.00074 0.00116 -0.00321 0.00080 0.00045 201 3PZ 0.00015 -0.00021 0.00067 -0.00045 -0.00080 202 4XX -0.00002 -0.00002 0.00008 -0.00004 0.00007 203 4YY -0.00005 0.00011 -0.00028 0.00008 -0.00010 204 4ZZ -0.00001 -0.00001 0.00009 -0.00001 0.00006 205 4XY 0.00004 -0.00007 0.00004 -0.00000 -0.00006 206 4XZ -0.00001 0.00002 0.00003 0.00006 0.00030 207 4YZ -0.00000 -0.00001 -0.00004 -0.00010 -0.00054 208 20 H 1S -0.00020 0.00012 -0.00075 0.00009 0.00003 209 2S 0.00065 -0.00113 0.00337 -0.00076 -0.00064 210 21 H 1S 0.00004 0.00002 0.00068 0.00021 0.00214 211 2S 0.00000 0.00011 0.00092 0.00023 0.00379 212 22 H 1S 0.00008 -0.00005 0.00006 -0.00048 -0.00213 213 2S 0.00005 0.00001 -0.00017 -0.00106 -0.00375 214 23 H 1S -0.00003 0.00005 -0.00010 -0.00006 -0.00194 215 2S 0.00036 -0.00064 0.00173 0.00010 -0.00393 216 24 H 1S -0.00009 0.00004 -0.00050 -0.00033 -0.00055 217 2S 0.00093 -0.00184 0.00466 -0.00093 -0.00135 218 25 H 1S 0.00004 0.00001 0.00020 0.00010 0.00010 219 2S 0.00032 -0.00058 0.00128 0.00004 -0.00175 220 26 H 1S -0.00002 0.00007 -0.00012 0.00003 -0.00013 221 2S -0.00012 0.00024 -0.00047 -0.00035 -0.00039 222 27 H 1S -0.00003 0.00003 -0.00008 0.00001 0.00001 223 2S -0.00010 0.00017 -0.00053 -0.00005 -0.00021 224 28 C 1S -0.00000 -0.00001 -0.00001 -0.00001 -0.00005 225 2S -0.00001 0.00001 0.00001 0.00002 0.00012 226 2PX 0.00001 0.00002 0.00005 0.00004 0.00017 227 2PY 0.00000 -0.00001 -0.00000 -0.00002 -0.00003 228 2PZ -0.00001 0.00001 0.00002 0.00003 0.00010 229 3S 0.00010 -0.00011 0.00034 0.00005 0.00023 230 3PX 0.00004 -0.00005 0.00016 0.00002 -0.00003 231 3PY -0.00002 0.00001 -0.00003 -0.00002 -0.00001 232 3PZ 0.00003 -0.00003 0.00014 -0.00001 0.00001 233 4XX 0.00000 -0.00000 0.00001 -0.00000 -0.00001 234 4YY -0.00000 0.00000 0.00001 0.00000 0.00002 235 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 236 4XY -0.00000 0.00001 -0.00002 -0.00000 -0.00001 237 4XZ 0.00000 -0.00000 -0.00001 -0.00001 -0.00002 238 4YZ -0.00000 0.00000 0.00001 0.00001 0.00003 239 29 H 1S -0.00000 0.00002 -0.00001 -0.00000 0.00001 240 2S -0.00001 0.00003 -0.00006 -0.00002 -0.00005 241 30 H 1S 0.00000 -0.00001 -0.00005 -0.00005 -0.00015 242 2S 0.00001 -0.00002 -0.00007 -0.00011 -0.00036 243 31 H 1S -0.00001 -0.00000 0.00005 0.00004 0.00012 244 2S -0.00000 -0.00001 0.00008 0.00009 0.00014 245 32 H 1S -0.00000 -0.00001 -0.00002 -0.00002 -0.00005 246 2S 0.00001 -0.00002 0.00004 -0.00001 -0.00003 247 33 H 1S 0.00000 0.00001 0.00009 0.00008 0.00023 248 2S 0.00001 0.00001 0.00021 0.00016 0.00045 249 34 H 1S 0.00000 0.00000 -0.00004 -0.00003 -0.00007 250 2S 0.00000 0.00000 -0.00007 -0.00007 -0.00015 156 157 158 159 160 156 3S 0.40874 157 3PX -0.07843 0.12153 158 3PY 0.00074 -0.00026 0.09986 159 3PZ 0.01391 -0.00566 -0.00149 0.09072 160 4XX -0.00235 -0.00569 0.00353 0.00277 0.00109 161 4YY 0.00015 0.00404 -0.00958 0.00274 -0.00046 162 4ZZ 0.00015 0.00528 0.00547 -0.00608 -0.00020 163 4XY -0.00043 0.00537 0.00399 0.00093 -0.00012 164 4XZ 0.00061 0.00297 0.00111 0.00626 0.00004 165 4YZ 0.00010 0.00080 0.00324 0.00671 0.00028 166 12 H 1S 0.09609 0.02236 -0.12667 0.01510 -0.00745 167 2S -0.01467 0.03822 -0.09686 0.00778 -0.00589 168 13 H 1S 0.07992 0.03926 0.03686 -0.11531 -0.00561 169 2S -0.00858 0.03888 0.02997 -0.09820 -0.00409 170 14 H 1S 0.07997 0.07409 0.06631 0.07952 -0.00033 171 2S -0.00851 0.06826 0.05483 0.06625 0.00069 172 15 O 1S 0.00809 -0.00214 -0.00508 0.00114 -0.00086 173 2S -0.02672 0.00990 0.00949 -0.00319 0.00154 174 2PX -0.24637 0.11729 -0.00603 -0.02224 0.00566 175 2PY 0.12013 -0.03248 -0.03140 0.00866 0.00150 176 2PZ 0.02582 -0.01827 0.00383 -0.00970 -0.00476 177 3S 0.01104 -0.01085 0.02129 -0.00127 -0.00017 178 3PX -0.16210 0.07890 -0.00101 -0.01595 0.00274 179 3PY 0.10315 -0.03601 -0.01619 0.00719 0.00059 180 3PZ 0.01330 -0.01062 0.00086 -0.00934 -0.00290 181 4XX -0.00544 0.00037 0.00009 0.00001 0.00041 182 4YY 0.00242 0.00148 -0.00201 -0.00005 -0.00015 183 4ZZ -0.00027 0.00029 0.00088 -0.00019 -0.00001 184 4XY -0.00350 0.00132 -0.00074 -0.00014 0.00040 185 4XZ 0.00166 -0.00018 0.00035 0.00029 -0.00030 186 4YZ 0.00020 -0.00052 0.00060 -0.00034 -0.00023 187 16 H 1S -0.00651 -0.00147 -0.00225 0.00064 -0.00120 188 2S 0.01263 -0.00082 0.00120 -0.00002 -0.00127 189 17 H 1S -0.02653 0.01648 -0.00503 -0.00218 -0.00014 190 2S -0.03917 0.02488 -0.00886 -0.00311 -0.00051 191 18 H 1S -0.00587 0.00209 -0.00062 -0.00027 0.00020 192 2S 0.04421 -0.02885 -0.00059 0.00501 -0.00014 193 19 C 1S 0.00003 0.00020 -0.00048 0.00004 -0.00003 194 2S -0.00034 -0.00021 0.00120 -0.00012 0.00006 195 2PX 0.00370 -0.00325 0.00288 -0.00013 0.00002 196 2PY 0.00729 -0.00400 -0.00071 0.00066 -0.00009 197 2PZ -0.00147 0.00078 -0.00053 -0.00147 -0.00009 198 3S 0.01013 -0.00665 0.00142 0.00095 0.00010 199 3PX 0.00203 -0.00270 0.00195 0.00005 0.00011 200 3PY 0.00515 -0.00305 -0.00018 0.00056 0.00003 201 3PZ -0.00075 0.00055 -0.00037 -0.00079 -0.00006 202 4XX -0.00010 0.00006 -0.00001 0.00005 -0.00000 203 4YY 0.00033 -0.00024 0.00009 -0.00009 -0.00000 204 4ZZ -0.00001 0.00007 -0.00012 0.00007 0.00000 205 4XY 0.00011 -0.00012 0.00013 -0.00005 -0.00000 206 4XZ 0.00001 0.00005 -0.00000 0.00025 0.00002 207 4YZ -0.00008 -0.00002 -0.00013 -0.00046 -0.00003 208 20 H 1S 0.00145 -0.00141 0.00141 -0.00004 -0.00002 209 2S -0.00325 0.00184 0.00114 -0.00069 -0.00012 210 21 H 1S -0.00008 0.00069 -0.00054 0.00191 0.00011 211 2S -0.00039 0.00113 -0.00056 0.00319 0.00016 212 22 H 1S -0.00016 0.00013 -0.00109 -0.00173 -0.00013 213 2S -0.00047 0.00015 -0.00150 -0.00304 -0.00024 214 23 H 1S -0.00094 0.00046 -0.00016 -0.00164 -0.00008 215 2S -0.00415 0.00210 -0.00065 -0.00340 -0.00013 216 24 H 1S 0.00096 -0.00079 -0.00009 -0.00032 -0.00005 217 2S -0.00515 0.00321 -0.00044 -0.00095 -0.00005 218 25 H 1S -0.00049 0.00039 -0.00010 -0.00000 0.00001 219 2S -0.00275 0.00137 -0.00035 -0.00153 -0.00005 220 26 H 1S 0.00031 -0.00018 -0.00004 0.00004 -0.00002 221 2S 0.00110 -0.00052 -0.00022 -0.00009 -0.00005 222 27 H 1S 0.00012 -0.00005 0.00011 -0.00001 0.00000 223 2S 0.00050 -0.00035 0.00011 -0.00024 -0.00002 224 28 C 1S 0.00008 -0.00005 -0.00001 -0.00003 -0.00000 225 2S -0.00010 0.00007 0.00003 0.00008 0.00001 226 2PX -0.00036 0.00022 0.00003 0.00008 0.00001 227 2PY -0.00012 0.00003 -0.00000 -0.00002 -0.00000 228 2PZ 0.00006 0.00000 -0.00001 0.00008 0.00001 229 3S -0.00054 0.00037 0.00010 0.00007 0.00001 230 3PX -0.00041 0.00023 0.00002 -0.00008 0.00000 231 3PY -0.00003 -0.00000 -0.00002 0.00003 -0.00000 232 3PZ -0.00015 0.00012 -0.00001 -0.00000 -0.00000 233 4XX -0.00002 0.00001 -0.00000 -0.00001 -0.00000 234 4YY -0.00001 0.00001 -0.00000 0.00001 0.00000 235 4ZZ 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 236 4XY 0.00001 -0.00001 0.00000 -0.00001 -0.00000 237 4XZ -0.00001 -0.00001 0.00000 -0.00002 -0.00000 238 4YZ 0.00001 0.00001 -0.00000 0.00002 0.00000 239 29 H 1S -0.00020 0.00009 0.00002 -0.00001 -0.00000 240 2S -0.00007 -0.00000 0.00000 -0.00005 -0.00001 241 30 H 1S 0.00007 -0.00009 0.00001 -0.00012 -0.00001 242 2S 0.00001 -0.00010 -0.00000 -0.00029 -0.00003 243 31 H 1S 0.00008 0.00000 -0.00001 0.00012 0.00001 244 2S 0.00009 0.00002 -0.00004 0.00013 0.00002 245 32 H 1S 0.00008 -0.00006 0.00001 -0.00003 -0.00000 246 2S 0.00004 -0.00001 0.00001 -0.00003 -0.00000 247 33 H 1S -0.00002 0.00010 -0.00003 0.00018 0.00002 248 2S -0.00011 0.00023 -0.00003 0.00036 0.00004 249 34 H 1S -0.00008 0.00001 0.00002 -0.00008 -0.00001 250 2S -0.00012 0.00000 0.00003 -0.00015 -0.00002 161 162 163 164 165 161 4YY 0.00145 162 4ZZ -0.00036 0.00120 163 4XY -0.00024 0.00048 0.00067 164 4XZ 0.00024 -0.00025 0.00029 0.00078 165 4YZ -0.00008 -0.00023 0.00025 0.00053 0.00066 166 12 H 1S 0.01481 -0.00629 -0.00380 0.00076 -0.00305 167 2S 0.01209 -0.00488 -0.00320 0.00065 -0.00242 168 13 H 1S -0.00534 0.01235 0.00282 -0.00665 -0.00726 169 2S -0.00483 0.01019 0.00220 -0.00638 -0.00630 170 14 H 1S -0.00085 0.00260 0.00846 0.00939 0.00905 171 2S -0.00096 0.00154 0.00717 0.00818 0.00775 172 15 O 1S -0.00015 -0.00060 -0.00052 0.00014 0.00002 173 2S 0.00004 0.00159 0.00179 -0.00027 -0.00006 174 2PX -0.00248 0.00247 0.00737 -0.00405 -0.00117 175 2PY -0.00236 0.00152 0.00104 -0.00201 -0.00005 176 2PZ 0.00007 0.00359 -0.00370 -0.00989 -0.00225 177 3S 0.00098 0.00128 -0.00028 0.00035 0.00011 178 3PX -0.00110 0.00181 0.00427 -0.00234 -0.00081 179 3PY -0.00167 0.00064 -0.00006 -0.00120 -0.00001 180 3PZ -0.00016 0.00250 -0.00230 -0.00658 -0.00193 181 4XX -0.00028 -0.00011 0.00019 -0.00028 -0.00002 182 4YY 0.00006 0.00018 -0.00001 -0.00007 -0.00000 183 4ZZ -0.00004 -0.00000 0.00011 0.00027 0.00003 184 4XY -0.00023 0.00004 0.00014 -0.00026 -0.00001 185 4XZ 0.00008 0.00017 -0.00012 -0.00029 -0.00000 186 4YZ 0.00001 0.00015 -0.00011 -0.00043 -0.00005 187 16 H 1S 0.00174 -0.00082 0.00034 0.00001 -0.00052 188 2S 0.00073 0.00022 0.00152 0.00007 -0.00037 189 17 H 1S 0.00051 -0.00010 -0.00063 0.00011 0.00001 190 2S 0.00138 -0.00019 -0.00107 0.00022 -0.00008 191 18 H 1S -0.00004 -0.00017 0.00000 -0.00007 -0.00003 192 2S 0.00009 -0.00114 -0.00181 0.00002 0.00011 193 19 C 1S 0.00005 -0.00001 -0.00004 0.00001 -0.00000 194 2S -0.00014 -0.00000 0.00010 -0.00002 0.00001 195 2PX -0.00028 -0.00000 0.00018 -0.00011 0.00003 196 2PY 0.00005 -0.00001 -0.00004 -0.00003 0.00000 197 2PZ 0.00006 0.00009 -0.00007 -0.00032 0.00008 198 3S -0.00034 -0.00011 0.00009 -0.00005 0.00001 199 3PX -0.00026 -0.00002 0.00015 -0.00010 0.00001 200 3PY -0.00007 0.00003 0.00010 -0.00003 -0.00000 201 3PZ 0.00005 0.00004 -0.00006 -0.00012 0.00001 202 4XX 0.00000 -0.00000 0.00000 0.00001 -0.00000 203 4YY -0.00001 0.00000 0.00000 -0.00002 0.00001 204 4ZZ 0.00001 0.00000 -0.00000 0.00001 -0.00000 205 4XY 0.00000 -0.00000 0.00000 -0.00001 0.00000 206 4XZ -0.00000 -0.00001 0.00001 0.00005 -0.00001 207 4YZ 0.00001 0.00002 -0.00001 -0.00008 0.00002 208 20 H 1S -0.00008 -0.00002 0.00009 -0.00003 -0.00000 209 2S 0.00014 -0.00000 -0.00006 0.00002 -0.00000 210 21 H 1S 0.00003 -0.00009 0.00001 0.00039 -0.00010 211 2S 0.00004 -0.00015 -0.00000 0.00064 -0.00016 212 22 H 1S 0.00008 0.00010 -0.00009 -0.00035 0.00009 213 2S 0.00013 0.00016 -0.00016 -0.00059 0.00016 214 23 H 1S -0.00004 0.00011 -0.00002 -0.00032 0.00010 215 2S -0.00005 0.00023 0.00006 -0.00055 0.00017 216 24 H 1S 0.00001 -0.00001 -0.00000 -0.00012 0.00002 217 2S 0.00004 0.00009 0.00016 -0.00010 -0.00000 218 25 H 1S -0.00000 0.00002 0.00001 0.00002 -0.00000 219 2S -0.00000 0.00011 0.00004 -0.00026 0.00007 220 26 H 1S -0.00000 0.00001 0.00000 -0.00004 0.00001 221 2S 0.00002 0.00002 -0.00004 -0.00010 0.00002 222 27 H 1S -0.00000 0.00000 -0.00001 0.00000 0.00000 223 2S 0.00000 -0.00000 -0.00003 -0.00004 0.00002 224 28 C 1S -0.00000 0.00000 -0.00000 -0.00001 0.00000 225 2S -0.00000 -0.00000 0.00000 0.00002 -0.00001 226 2PX 0.00000 -0.00000 0.00000 0.00003 -0.00001 227 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 228 2PZ -0.00001 -0.00000 0.00000 0.00002 -0.00000 229 3S -0.00000 -0.00001 0.00001 0.00006 -0.00000 230 3PX -0.00000 0.00000 0.00000 0.00001 0.00000 231 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00001 232 3PZ 0.00000 0.00000 -0.00000 0.00001 0.00000 233 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 234 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 235 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 236 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 237 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 238 4YZ -0.00000 -0.00000 0.00000 0.00001 -0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 240 2S 0.00001 -0.00000 -0.00001 -0.00001 0.00001 241 30 H 1S 0.00001 0.00000 -0.00001 -0.00003 0.00001 242 2S 0.00001 0.00001 -0.00001 -0.00007 0.00002 243 31 H 1S -0.00001 -0.00001 0.00001 0.00003 -0.00001 244 2S -0.00001 -0.00001 0.00001 0.00003 -0.00001 245 32 H 1S -0.00000 -0.00000 -0.00000 -0.00001 0.00000 246 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 247 33 H 1S -0.00001 -0.00001 0.00001 0.00005 -0.00001 248 2S -0.00002 -0.00001 0.00002 0.00009 -0.00002 249 34 H 1S 0.00001 0.00000 -0.00000 -0.00002 0.00000 250 2S 0.00001 0.00001 -0.00001 -0.00003 0.00001 166 167 168 169 170 166 12 H 1S 0.20949 167 2S 0.14666 0.12545 168 13 H 1S -0.02200 -0.03202 0.20963 169 2S -0.03947 -0.02764 0.15742 0.13392 170 14 H 1S -0.02198 -0.03200 -0.01801 -0.03869 0.20962 171 2S -0.03944 -0.02760 -0.03867 -0.03903 0.15735 172 15 O 1S 0.00374 -0.00340 -0.00269 -0.00290 -0.00268 173 2S -0.01102 0.00450 0.00838 0.00985 0.00836 174 2PX -0.02838 0.02014 0.02957 0.07187 0.01423 175 2PY 0.00237 -0.07114 0.00705 -0.00719 -0.00592 176 2PZ 0.00474 0.00715 0.03874 0.05994 -0.04678 177 3S -0.00730 0.01189 0.00677 0.00054 0.00673 178 3PX -0.01721 0.01884 0.02087 0.04784 0.00937 179 3PY 0.00162 -0.04925 0.00342 -0.00952 -0.00626 180 3PZ 0.00285 0.00407 0.02942 0.04387 -0.03440 181 4XX -0.00152 -0.00050 -0.00015 0.00151 -0.00064 182 4YY 0.00090 -0.00182 0.00084 0.00051 0.00003 183 4ZZ -0.00092 -0.00045 -0.00014 -0.00070 0.00114 184 4XY -0.00140 -0.00200 0.00059 0.00148 -0.00020 185 4XZ 0.00035 0.00034 0.00086 0.00154 -0.00054 186 4YZ -0.00006 0.00062 0.00146 0.00248 -0.00150 187 16 H 1S 0.00942 0.01022 -0.00485 -0.00169 -0.00482 188 2S 0.00403 -0.00323 0.00407 0.00274 0.00404 189 17 H 1S 0.00335 0.01013 0.00015 0.00114 0.00018 190 2S 0.00956 0.01937 -0.00098 0.00169 -0.00104 191 18 H 1S -0.00052 0.00261 -0.00006 0.00174 0.00002 192 2S 0.00475 -0.00252 -0.00840 -0.01364 -0.00888 193 19 C 1S 0.00035 0.00020 -0.00010 -0.00020 -0.00011 194 2S -0.00080 -0.00025 0.00024 0.00051 0.00028 195 2PX -0.00119 -0.00136 0.00033 0.00015 -0.00021 196 2PY 0.00027 -0.00197 -0.00034 -0.00123 -0.00068 197 2PZ 0.00016 0.00048 0.00138 0.00073 -0.00128 198 3S -0.00107 -0.00282 -0.00062 -0.00118 -0.00068 199 3PX -0.00161 -0.00149 0.00008 0.00023 -0.00029 200 3PY -0.00062 -0.00268 -0.00019 -0.00061 -0.00025 201 3PZ 0.00031 0.00049 0.00061 0.00033 -0.00055 202 4XX 0.00003 0.00004 -0.00006 -0.00002 0.00005 203 4YY -0.00007 -0.00013 0.00009 0.00000 -0.00009 204 4ZZ 0.00003 -0.00001 -0.00004 -0.00001 0.00005 205 4XY -0.00002 0.00003 0.00004 0.00006 -0.00003 206 4XZ -0.00000 -0.00003 -0.00023 -0.00010 0.00023 207 4YZ 0.00002 0.00002 0.00038 0.00011 -0.00038 208 20 H 1S -0.00029 -0.00007 0.00008 0.00018 -0.00006 209 2S 0.00068 0.00256 0.00044 0.00066 0.00027 210 21 H 1S 0.00020 -0.00005 -0.00169 -0.00074 0.00165 211 2S 0.00043 0.00014 -0.00292 -0.00135 0.00268 212 22 H 1S 0.00023 0.00002 0.00157 0.00048 -0.00162 213 2S 0.00056 0.00034 0.00265 0.00075 -0.00291 214 23 H 1S -0.00024 -0.00026 0.00155 0.00063 -0.00123 215 2S -0.00073 -0.00009 0.00316 0.00171 -0.00177 216 24 H 1S 0.00016 0.00016 0.00034 0.00014 -0.00065 217 2S 0.00012 0.00136 0.00114 0.00171 0.00025 218 25 H 1S -0.00006 -0.00012 -0.00000 0.00003 0.00015 219 2S -0.00036 0.00017 0.00145 0.00101 -0.00074 220 26 H 1S -0.00004 -0.00013 0.00016 0.00018 -0.00013 221 2S 0.00025 -0.00005 0.00030 0.00016 -0.00054 222 27 H 1S -0.00000 -0.00003 -0.00001 -0.00004 -0.00001 223 2S 0.00005 -0.00003 0.00010 -0.00018 -0.00030 224 28 C 1S 0.00000 -0.00000 0.00003 0.00002 -0.00004 225 2S -0.00000 -0.00000 -0.00008 -0.00004 0.00009 226 2PX -0.00001 0.00000 -0.00012 -0.00007 0.00014 227 2PY 0.00001 0.00004 0.00001 0.00001 -0.00003 228 2PZ -0.00002 -0.00005 -0.00008 -0.00005 0.00010 229 3S -0.00002 0.00007 -0.00018 -0.00015 0.00028 230 3PX -0.00003 0.00002 0.00002 -0.00000 0.00005 231 3PY -0.00000 -0.00001 0.00001 0.00008 -0.00003 232 3PZ 0.00002 0.00004 -0.00001 -0.00001 0.00005 233 4XX -0.00000 0.00000 0.00001 0.00001 -0.00000 234 4YY -0.00000 -0.00000 -0.00002 -0.00001 0.00002 235 4ZZ 0.00000 0.00000 0.00001 0.00000 -0.00001 236 4XY 0.00000 0.00000 0.00001 0.00000 -0.00002 237 4XZ 0.00000 0.00001 0.00002 0.00001 -0.00002 238 4YZ -0.00001 -0.00001 -0.00002 -0.00001 0.00003 239 29 H 1S 0.00001 0.00002 -0.00001 -0.00000 0.00000 240 2S 0.00003 0.00006 0.00002 -0.00004 -0.00006 241 30 H 1S 0.00003 0.00005 0.00012 0.00006 -0.00015 242 2S 0.00006 0.00009 0.00026 0.00011 -0.00031 243 31 H 1S -0.00003 -0.00005 -0.00009 -0.00004 0.00013 244 2S -0.00007 -0.00010 -0.00010 -0.00004 0.00018 245 32 H 1S 0.00001 0.00002 0.00004 0.00002 -0.00005 246 2S -0.00000 0.00000 0.00002 -0.00001 -0.00000 247 33 H 1S -0.00004 -0.00008 -0.00017 -0.00009 0.00023 248 2S -0.00009 -0.00014 -0.00032 -0.00013 0.00045 249 34 H 1S 0.00002 0.00003 0.00005 0.00002 -0.00008 250 2S 0.00004 0.00006 0.00012 0.00005 -0.00017 171 172 173 174 175 171 2S 0.13380 172 15 O 1S -0.00289 2.07832 173 2S 0.00983 -0.18209 0.50410 174 2PX 0.04745 0.02718 -0.04596 0.72523 175 2PY -0.02777 0.02942 -0.06350 -0.11470 0.70464 176 2PZ -0.07597 -0.00932 0.01782 -0.01197 -0.00134 177 3S 0.00050 -0.24262 0.59119 -0.21024 -0.15257 178 3PX 0.03044 0.02259 -0.03818 0.44001 -0.11488 179 3PY -0.02414 0.02519 -0.05055 -0.12875 0.44678 180 3PZ -0.05274 -0.00784 0.01445 0.00716 0.00891 181 4XX 0.00034 -0.01150 -0.01013 0.03084 -0.00827 182 4YY -0.00086 -0.01136 -0.01081 -0.00587 0.03297 183 4ZZ 0.00182 -0.01384 -0.00637 -0.00175 -0.00621 184 4XY -0.00002 0.00019 0.00080 0.01888 0.01711 185 4XZ -0.00193 -0.00054 0.00069 -0.00556 0.00122 186 4YZ -0.00250 -0.00050 0.00067 0.00177 -0.00619 187 16 H 1S -0.00170 -0.00455 0.01054 0.00073 0.04211 188 2S 0.00268 -0.00492 0.01351 -0.00344 0.10342 189 17 H 1S 0.00117 0.00071 -0.00309 0.00353 -0.00563 190 2S 0.00160 0.00295 -0.00798 0.00700 -0.01350 191 18 H 1S 0.00182 0.00397 -0.00953 0.01272 -0.00752 192 2S -0.01401 -0.01220 0.01851 -0.11349 0.01008 193 19 C 1S -0.00022 -0.00033 0.00069 -0.00189 0.00102 194 2S 0.00054 0.00088 -0.00185 0.00508 -0.00231 195 2PX -0.00010 0.00048 -0.00141 0.00106 -0.00018 196 2PY -0.00140 -0.00169 0.00363 -0.01100 0.00731 197 2PZ -0.00042 0.00016 -0.00027 0.00014 -0.00197 198 3S -0.00129 -0.00195 0.00195 -0.00921 -0.00053 199 3PX -0.00008 0.00039 -0.00064 0.00403 -0.00455 200 3PY -0.00069 0.00048 0.00043 -0.00241 0.00927 201 3PZ -0.00025 -0.00013 0.00008 -0.00048 -0.00035 202 4XX 0.00003 -0.00001 0.00006 0.00012 0.00003 203 4YY -0.00005 -0.00004 0.00005 -0.00032 -0.00012 204 4ZZ 0.00001 -0.00002 0.00009 0.00001 0.00016 205 4XY 0.00005 0.00008 -0.00019 0.00037 0.00003 206 4XZ 0.00009 -0.00001 0.00003 0.00014 0.00021 207 4YZ -0.00012 -0.00001 0.00004 -0.00049 -0.00039 208 20 H 1S 0.00012 0.00020 -0.00067 0.00159 -0.00025 209 2S 0.00074 -0.00050 0.00011 0.00199 -0.00636 210 21 H 1S 0.00051 -0.00024 0.00063 0.00041 0.00214 211 2S 0.00074 -0.00053 0.00124 0.00005 0.00306 212 22 H 1S -0.00071 -0.00023 0.00063 -0.00280 -0.00083 213 2S -0.00142 -0.00057 0.00128 -0.00616 -0.00199 214 23 H 1S -0.00049 0.00012 -0.00049 -0.00043 -0.00249 215 2S 0.00023 0.00071 -0.00149 0.00453 -0.00763 216 24 H 1S -0.00037 -0.00016 0.00053 -0.00196 0.00052 217 2S 0.00125 0.00140 -0.00218 0.01018 -0.00149 218 25 H 1S 0.00010 0.00008 -0.00011 0.00061 -0.00025 219 2S 0.00027 0.00046 -0.00080 0.00397 -0.00435 220 26 H 1S -0.00014 0.00000 0.00007 -0.00024 0.00008 221 2S -0.00063 -0.00017 0.00039 -0.00254 0.00151 222 27 H 1S -0.00005 -0.00001 0.00001 -0.00009 0.00007 223 2S -0.00022 -0.00007 0.00008 -0.00171 -0.00001 224 28 C 1S -0.00002 -0.00000 0.00001 -0.00005 -0.00003 225 2S 0.00002 -0.00001 -0.00000 0.00011 0.00006 226 2PX 0.00007 0.00001 -0.00005 0.00023 0.00006 227 2PY -0.00001 -0.00001 0.00000 -0.00002 -0.00002 228 2PZ 0.00005 0.00001 -0.00002 0.00011 0.00005 229 3S 0.00028 0.00015 -0.00036 0.00051 -0.00003 230 3PX 0.00010 0.00011 -0.00020 0.00040 -0.00016 231 3PY -0.00008 -0.00001 0.00004 0.00023 0.00013 232 3PZ 0.00005 0.00002 -0.00007 0.00002 0.00000 233 4XX 0.00000 0.00001 -0.00001 0.00004 -0.00002 234 4YY 0.00001 0.00000 -0.00000 0.00001 -0.00000 235 4ZZ -0.00001 0.00000 0.00000 -0.00001 0.00000 236 4XY -0.00001 -0.00001 0.00001 -0.00004 0.00001 237 4XZ -0.00001 -0.00000 0.00001 -0.00003 -0.00001 238 4YZ 0.00001 0.00000 -0.00001 0.00005 -0.00001 239 29 H 1S -0.00001 -0.00001 0.00000 0.00000 0.00003 240 2S -0.00002 -0.00005 0.00009 -0.00042 -0.00013 241 30 H 1S -0.00009 -0.00002 0.00004 -0.00021 -0.00003 242 2S -0.00015 -0.00001 0.00005 -0.00048 -0.00008 243 31 H 1S 0.00007 0.00001 -0.00002 0.00019 0.00001 244 2S 0.00013 0.00005 -0.00007 0.00038 -0.00012 245 32 H 1S -0.00003 -0.00001 0.00001 -0.00007 -0.00003 246 2S 0.00003 0.00000 -0.00002 -0.00001 0.00002 247 33 H 1S 0.00013 0.00003 -0.00006 0.00036 0.00002 248 2S 0.00025 0.00007 -0.00015 0.00075 -0.00000 249 34 H 1S -0.00005 -0.00000 0.00002 -0.00012 0.00004 250 2S -0.00010 -0.00001 0.00004 -0.00021 0.00006 176 177 178 179 180 176 2PZ 0.56313 177 3S 0.06083 0.75197 178 3PX 0.00505 -0.13077 0.27169 179 3PY 0.01143 -0.09223 -0.10608 0.28993 180 3PZ 0.36758 0.03739 0.01161 0.01232 0.24204 181 4XX 0.00253 -0.01766 0.01878 -0.00702 0.00213 182 4YY 0.00240 -0.01567 -0.00504 0.02073 0.00188 183 4ZZ -0.01187 -0.00658 -0.00070 -0.00376 -0.00785 184 4XY 0.00167 -0.00603 0.00999 0.00906 0.00181 185 4XZ 0.02134 0.00339 -0.00286 0.00155 0.01366 186 4YZ 0.02363 0.00283 0.00189 -0.00345 0.01512 187 16 H 1S -0.00641 0.02629 -0.00092 0.03567 -0.00516 188 2S -0.01494 0.01877 -0.00941 0.07410 -0.00947 189 17 H 1S 0.00034 0.00283 0.00644 -0.00632 -0.00010 190 2S 0.00109 -0.00382 0.01041 -0.01259 0.00022 191 18 H 1S -0.00088 -0.02199 0.00943 -0.00861 -0.00018 192 2S 0.01919 0.04136 -0.06754 0.01334 0.01018 193 19 C 1S 0.00015 0.00196 -0.00124 0.00083 0.00007 194 2S -0.00047 -0.00383 0.00334 -0.00183 -0.00024 195 2PX -0.00160 -0.00126 0.00060 0.00067 -0.00160 196 2PY 0.00014 0.00877 -0.00890 0.00623 -0.00010 197 2PZ -0.00650 -0.00112 -0.00010 -0.00192 -0.00631 198 3S 0.00230 0.00018 -0.00519 -0.00027 0.00142 199 3PX 0.00021 -0.00119 0.00267 -0.00271 -0.00010 200 3PY -0.00065 0.00166 -0.00342 0.00683 -0.00027 201 3PZ -0.00015 -0.00007 -0.00024 -0.00046 -0.00074 202 4XX 0.00029 0.00028 0.00006 0.00007 0.00026 203 4YY -0.00060 -0.00000 -0.00022 -0.00007 -0.00052 204 4ZZ 0.00037 0.00005 -0.00002 0.00007 0.00030 205 4XY -0.00040 -0.00050 0.00017 0.00001 -0.00030 206 4XZ 0.00130 0.00004 0.00015 0.00017 0.00117 207 4YZ -0.00261 0.00008 -0.00040 -0.00034 -0.00220 208 20 H 1S -0.00069 -0.00004 0.00062 0.00035 -0.00056 209 2S -0.00082 0.00213 0.00149 -0.00365 -0.00082 210 21 H 1S 0.00982 0.00123 0.00048 0.00164 0.00880 211 2S 0.01741 0.00305 0.00064 0.00265 0.01505 212 22 H 1S -0.00913 0.00109 -0.00244 -0.00100 -0.00813 213 2S -0.01571 0.00312 -0.00466 -0.00173 -0.01390 214 23 H 1S -0.00863 0.00034 -0.00070 -0.00165 -0.00746 215 2S -0.01812 -0.00215 0.00229 -0.00606 -0.01505 216 24 H 1S -0.00282 -0.00012 -0.00041 -0.00017 -0.00255 217 2S -0.00432 -0.00655 0.00716 -0.00267 -0.00315 218 25 H 1S 0.00059 -0.00044 0.00058 -0.00020 0.00038 219 2S -0.00758 -0.00202 0.00248 -0.00358 -0.00644 220 26 H 1S -0.00059 -0.00036 -0.00028 -0.00016 -0.00051 221 2S -0.00028 0.00025 -0.00170 0.00082 -0.00053 222 27 H 1S -0.00001 0.00010 -0.00028 0.00014 0.00002 223 2S -0.00175 0.00044 -0.00123 0.00012 -0.00144 224 28 C 1S -0.00021 0.00000 -0.00004 -0.00003 -0.00018 225 2S 0.00064 0.00010 0.00007 0.00010 0.00053 226 2PX 0.00077 0.00012 0.00011 0.00014 0.00066 227 2PY -0.00011 0.00015 0.00010 0.00001 -0.00012 228 2PZ 0.00046 -0.00011 0.00007 0.00002 0.00043 229 3S -0.00029 -0.00038 0.00032 0.00005 -0.00002 230 3PX -0.00047 -0.00024 0.00022 -0.00010 -0.00032 231 3PY 0.00093 0.00008 0.00024 0.00009 0.00065 232 3PZ -0.00007 -0.00002 0.00002 0.00000 -0.00002 233 4XX -0.00003 -0.00002 0.00003 -0.00001 -0.00002 234 4YY 0.00007 0.00000 0.00001 0.00000 0.00007 235 4ZZ -0.00003 0.00001 -0.00001 -0.00000 -0.00003 236 4XY -0.00003 0.00004 -0.00003 0.00001 -0.00004 237 4XZ -0.00012 0.00002 -0.00002 -0.00000 -0.00011 238 4YZ 0.00014 -0.00003 0.00003 -0.00001 0.00013 239 29 H 1S 0.00011 0.00018 0.00002 0.00008 0.00007 240 2S -0.00072 0.00038 -0.00028 -0.00003 -0.00058 241 30 H 1S -0.00074 0.00008 -0.00013 -0.00002 -0.00068 242 2S -0.00177 0.00015 -0.00031 -0.00006 -0.00156 243 31 H 1S 0.00064 -0.00013 0.00016 -0.00002 0.00058 244 2S 0.00068 -0.00032 0.00028 -0.00016 0.00067 245 32 H 1S -0.00023 0.00003 -0.00003 -0.00002 -0.00021 246 2S -0.00041 -0.00005 -0.00003 0.00000 -0.00030 247 33 H 1S 0.00112 -0.00023 0.00022 -0.00000 0.00103 248 2S 0.00219 -0.00039 0.00051 -0.00003 0.00197 249 34 H 1S -0.00041 0.00008 -0.00008 0.00006 -0.00038 250 2S -0.00080 0.00015 -0.00013 0.00008 -0.00074 181 182 183 184 185 181 4XX 0.00188 182 4YY -0.00034 0.00202 183 4ZZ 0.00015 -0.00013 0.00059 184 4XY 0.00067 0.00073 -0.00038 0.00120 185 4XZ -0.00017 0.00021 -0.00044 -0.00008 0.00088 186 4YZ 0.00028 -0.00021 -0.00044 -0.00005 0.00090 187 16 H 1S -0.00095 -0.00045 -0.00057 0.00054 -0.00000 188 2S -0.00138 0.00201 -0.00088 0.00202 -0.00023 189 17 H 1S -0.00065 0.00023 -0.00036 0.00024 0.00002 190 2S -0.00080 0.00057 -0.00045 -0.00002 0.00009 191 18 H 1S 0.00181 -0.00038 -0.00037 -0.00121 -0.00028 192 2S -0.00347 -0.00001 -0.00048 -0.00364 0.00125 193 19 C 1S -0.00020 0.00003 -0.00004 0.00003 0.00003 194 2S 0.00037 -0.00016 -0.00002 -0.00004 -0.00008 195 2PX 0.00022 -0.00018 -0.00009 -0.00007 -0.00006 196 2PY -0.00088 0.00004 -0.00023 0.00003 0.00014 197 2PZ 0.00008 0.00000 0.00008 -0.00002 -0.00002 198 3S 0.00036 -0.00025 0.00006 -0.00061 0.00005 199 3PX 0.00044 -0.00038 0.00001 -0.00007 -0.00005 200 3PY -0.00035 0.00021 -0.00010 0.00034 0.00002 201 3PZ -0.00001 0.00005 -0.00001 -0.00001 0.00004 202 4XX -0.00002 -0.00001 -0.00001 0.00001 0.00000 203 4YY 0.00001 -0.00000 0.00002 -0.00001 -0.00001 204 4ZZ -0.00001 0.00001 -0.00000 0.00001 0.00001 205 4XY 0.00002 -0.00000 -0.00000 -0.00001 -0.00001 206 4XZ 0.00000 0.00001 -0.00001 0.00001 0.00001 207 4YZ -0.00002 -0.00001 0.00003 -0.00001 -0.00004 208 20 H 1S 0.00001 -0.00017 -0.00016 -0.00004 -0.00004 209 2S -0.00017 -0.00028 -0.00015 -0.00017 -0.00001 210 21 H 1S -0.00011 0.00007 -0.00009 0.00007 0.00012 211 2S -0.00022 0.00011 -0.00016 0.00012 0.00026 212 22 H 1S -0.00017 -0.00001 0.00006 -0.00002 -0.00007 213 2S -0.00037 -0.00002 0.00012 -0.00005 -0.00012 214 23 H 1S -0.00003 -0.00012 -0.00001 -0.00005 -0.00012 215 2S 0.00024 -0.00030 0.00012 -0.00004 -0.00035 216 24 H 1S 0.00008 0.00012 0.00019 0.00006 -0.00003 217 2S 0.00059 0.00009 0.00016 0.00021 -0.00017 218 25 H 1S 0.00008 0.00005 0.00005 0.00002 0.00001 219 2S 0.00027 -0.00012 0.00011 0.00001 -0.00015 220 26 H 1S 0.00001 0.00000 0.00002 -0.00000 0.00001 221 2S -0.00008 0.00009 0.00000 -0.00001 0.00006 222 27 H 1S -0.00004 -0.00002 -0.00003 -0.00001 0.00000 223 2S -0.00009 -0.00001 0.00001 -0.00005 -0.00002 224 28 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 225 2S -0.00000 -0.00000 -0.00001 0.00000 0.00001 226 2PX -0.00001 -0.00000 -0.00001 0.00000 0.00001 227 2PY 0.00001 0.00001 0.00001 0.00001 -0.00000 228 2PZ 0.00001 -0.00000 -0.00000 0.00000 0.00000 229 3S -0.00000 -0.00000 0.00001 -0.00000 -0.00003 230 3PX 0.00001 -0.00000 0.00001 -0.00000 -0.00002 231 3PY 0.00002 0.00001 -0.00001 0.00001 0.00003 232 3PZ -0.00001 0.00000 0.00000 0.00000 -0.00000 233 4XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 234 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 235 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 237 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 238 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 239 29 H 1S -0.00001 0.00000 -0.00000 0.00000 0.00000 240 2S -0.00003 -0.00001 0.00001 -0.00001 -0.00001 241 30 H 1S -0.00001 0.00000 0.00001 0.00000 -0.00001 242 2S -0.00002 0.00001 0.00002 0.00000 -0.00002 243 31 H 1S 0.00001 -0.00000 -0.00000 0.00000 0.00000 244 2S 0.00003 -0.00001 -0.00000 -0.00000 -0.00000 245 32 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 246 2S -0.00001 -0.00000 0.00000 -0.00000 -0.00001 247 33 H 1S 0.00001 -0.00001 -0.00001 -0.00000 0.00001 248 2S 0.00003 -0.00001 -0.00002 -0.00000 0.00002 249 34 H 1S -0.00001 0.00001 0.00001 0.00000 -0.00000 250 2S -0.00001 0.00002 0.00002 0.00001 -0.00001 186 187 188 189 190 186 4YZ 0.00110 187 16 H 1S -0.00012 0.21772 188 2S -0.00089 0.17593 0.16549 189 17 H 1S -0.00014 -0.02740 -0.02924 0.21980 190 2S -0.00016 -0.02745 -0.03014 0.17426 0.16383 191 18 H 1S 0.00023 0.00111 -0.00210 0.02804 0.05942 192 2S 0.00066 0.00313 -0.00159 0.04114 0.06373 193 19 C 1S -0.00002 -0.00012 0.00046 0.00260 -0.00410 194 2S 0.00003 0.00012 -0.00013 -0.00636 0.00443 195 2PX 0.00001 0.00247 0.00296 -0.01540 0.01006 196 2PY -0.00006 0.00288 0.00034 -0.01033 -0.01406 197 2PZ -0.00010 -0.00068 -0.00009 0.00396 -0.00004 198 3S 0.00019 0.00097 -0.00115 -0.00654 0.00882 199 3PX 0.00011 0.00236 0.00098 -0.00972 0.00400 200 3PY -0.00010 0.00369 0.00270 -0.02022 -0.02151 201 3PZ 0.00005 -0.00072 -0.00027 0.00375 0.00148 202 4XX 0.00000 -0.00001 -0.00014 -0.00000 0.00013 203 4YY -0.00001 0.00006 0.00010 -0.00094 -0.00039 204 4ZZ 0.00001 -0.00015 -0.00025 0.00008 -0.00081 205 4XY -0.00001 0.00047 0.00080 -0.00048 0.00089 206 4XZ 0.00002 -0.00009 -0.00015 0.00002 -0.00033 207 4YZ -0.00005 -0.00010 -0.00017 0.00024 -0.00020 208 20 H 1S -0.00000 0.00184 0.00161 -0.00461 0.01195 209 2S 0.00002 0.00013 0.00176 0.00753 0.01719 210 21 H 1S 0.00015 -0.00087 -0.00210 0.00122 -0.00487 211 2S 0.00027 -0.00142 -0.00291 0.00353 -0.00490 212 22 H 1S -0.00016 -0.00085 -0.00179 0.00173 -0.00494 213 2S -0.00028 -0.00154 -0.00264 0.00452 -0.00423 214 23 H 1S -0.00013 -0.00160 -0.00283 -0.00028 -0.00141 215 2S -0.00029 -0.00428 -0.00758 0.00216 0.00216 216 24 H 1S -0.00005 0.00100 0.00145 -0.00164 -0.00075 217 2S -0.00008 -0.00044 0.00009 0.00306 0.00531 218 25 H 1S 0.00001 -0.00036 -0.00055 0.00010 0.00012 219 2S -0.00010 -0.00138 -0.00274 0.00229 0.00336 220 26 H 1S 0.00001 -0.00009 -0.00037 -0.00064 -0.00105 221 2S 0.00002 -0.00028 -0.00017 -0.00068 -0.00155 222 27 H 1S 0.00000 0.00006 0.00021 -0.00021 -0.00056 223 2S -0.00004 0.00007 0.00039 -0.00052 -0.00092 224 28 C 1S -0.00000 0.00001 0.00002 0.00002 0.00001 225 2S 0.00001 -0.00004 -0.00002 -0.00002 -0.00009 226 2PX 0.00001 -0.00001 0.00005 -0.00003 -0.00031 227 2PY -0.00000 0.00008 0.00021 0.00006 -0.00017 228 2PZ 0.00001 -0.00007 -0.00025 -0.00011 -0.00024 229 3S -0.00003 0.00012 0.00029 0.00006 0.00019 230 3PX -0.00002 -0.00007 0.00000 0.00001 0.00001 231 3PY 0.00003 -0.00004 -0.00002 -0.00006 -0.00002 232 3PZ -0.00001 -0.00008 -0.00009 0.00017 -0.00008 233 4XX -0.00000 0.00001 0.00001 0.00001 0.00000 234 4YY 0.00000 -0.00002 -0.00004 0.00001 -0.00000 235 4ZZ -0.00000 0.00001 0.00002 0.00001 0.00000 236 4XY 0.00000 0.00001 0.00003 -0.00000 -0.00001 237 4XZ -0.00000 0.00003 0.00008 0.00001 0.00002 238 4YZ 0.00000 -0.00005 -0.00010 -0.00000 0.00001 239 29 H 1S 0.00000 0.00005 0.00018 -0.00004 -0.00024 240 2S -0.00002 0.00008 0.00021 0.00021 -0.00031 241 30 H 1S -0.00001 0.00015 0.00036 0.00006 0.00021 242 2S -0.00003 0.00024 0.00064 0.00013 0.00017 243 31 H 1S 0.00001 -0.00017 -0.00041 -0.00006 -0.00007 244 2S 0.00001 -0.00034 -0.00080 -0.00010 -0.00000 245 32 H 1S -0.00000 0.00003 0.00007 0.00003 0.00024 246 2S -0.00001 0.00006 0.00007 0.00001 0.00017 247 33 H 1S 0.00002 -0.00025 -0.00061 -0.00005 -0.00008 248 2S 0.00003 -0.00060 -0.00125 -0.00005 -0.00010 249 34 H 1S -0.00001 0.00018 0.00045 -0.00001 -0.00017 250 2S -0.00001 0.00033 0.00077 -0.00005 -0.00029 191 192 193 194 195 191 18 H 1S 0.21231 192 2S 0.14275 0.13896 193 19 C 1S -0.00797 -0.01062 2.05070 194 2S 0.01603 0.01952 -0.05219 0.29811 195 2PX 0.01084 0.02107 -0.00015 0.00126 0.40750 196 2PY -0.03794 -0.06730 -0.00171 0.00437 0.00456 197 2PZ 0.00338 0.00660 0.00014 0.00013 -0.00149 198 3S 0.04827 0.05890 -0.18760 0.28870 0.01068 199 3PX 0.00850 0.01436 -0.00057 0.00098 0.19811 200 3PY -0.03601 -0.05107 0.00111 0.00320 0.00194 201 3PZ 0.00316 0.00460 0.00022 -0.00070 -0.00071 202 4XX -0.00113 -0.00193 -0.01869 0.00027 0.00542 203 4YY -0.00014 0.00101 -0.01666 -0.00404 0.00867 204 4ZZ -0.00063 -0.00165 -0.01850 -0.00003 -0.01547 205 4XY 0.00141 0.00081 -0.00048 0.00130 0.01446 206 4XZ -0.00009 -0.00013 0.00009 -0.00026 -0.00912 207 4YZ -0.00031 -0.00041 -0.00020 0.00039 -0.00489 208 20 H 1S 0.00325 -0.00141 -0.05364 0.10429 0.22363 209 2S 0.00112 -0.00515 -0.00592 0.02379 0.18111 210 21 H 1S -0.00606 -0.01344 -0.05252 0.10064 -0.17242 211 2S -0.01198 -0.01808 -0.00583 0.02226 -0.14196 212 22 H 1S -0.00619 -0.01241 -0.05236 0.10117 -0.11035 213 2S -0.01216 -0.01641 -0.00653 0.02363 -0.09064 214 23 H 1S 0.00635 0.00301 0.00483 -0.01065 0.00460 215 2S 0.01270 0.00447 0.00276 -0.00672 -0.00660 216 24 H 1S -0.00534 0.01166 -0.00763 0.01609 -0.00031 217 2S 0.01421 0.02442 -0.01099 0.02357 -0.00568 218 25 H 1S 0.00079 0.00296 0.00022 0.00062 -0.00158 219 2S 0.00671 0.00523 0.00047 -0.00021 -0.00480 220 26 H 1S -0.00052 0.00054 0.00190 -0.00392 0.00966 221 2S -0.00130 0.00231 -0.00345 0.00515 -0.00646 222 27 H 1S -0.00003 -0.00105 0.00135 -0.00288 0.00368 223 2S -0.00053 0.00090 0.00080 -0.00203 0.00676 224 28 C 1S -0.00011 0.00004 -0.00006 0.00007 -0.00019 225 2S 0.00013 -0.00015 0.00008 -0.00019 -0.00023 226 2PX 0.00031 -0.00077 0.00021 -0.00002 0.00046 227 2PY -0.00001 0.00036 -0.00023 0.00089 -0.00030 228 2PZ 0.00020 0.00040 -0.00001 -0.00016 0.00050 229 3S 0.00128 0.00127 0.00024 0.00013 0.00307 230 3PX 0.00085 0.00035 0.00028 -0.00021 0.00234 231 3PY 0.00057 0.00059 -0.00068 0.00135 -0.00067 232 3PZ -0.00002 -0.00004 0.00010 -0.00021 -0.00088 233 4XX -0.00001 0.00001 -0.00002 0.00002 -0.00006 234 4YY 0.00004 -0.00003 -0.00000 0.00002 -0.00011 235 4ZZ -0.00005 -0.00000 -0.00003 0.00000 -0.00017 236 4XY -0.00004 -0.00009 0.00001 -0.00000 0.00005 237 4XZ -0.00008 -0.00006 0.00002 -0.00006 -0.00002 238 4YZ 0.00011 0.00011 -0.00004 0.00006 -0.00004 239 29 H 1S 0.00003 -0.00039 0.00007 0.00027 0.00054 240 2S -0.00136 -0.00192 0.00080 -0.00121 -0.00157 241 30 H 1S -0.00047 -0.00007 0.00001 -0.00018 -0.00038 242 2S -0.00084 -0.00027 0.00008 -0.00035 -0.00060 243 31 H 1S 0.00041 0.00084 -0.00019 0.00028 0.00000 244 2S 0.00083 0.00125 -0.00024 0.00047 0.00064 245 32 H 1S -0.00012 0.00016 -0.00011 0.00010 -0.00039 246 2S -0.00006 -0.00004 0.00016 -0.00031 0.00011 247 33 H 1S 0.00069 0.00041 -0.00004 0.00023 0.00014 248 2S 0.00152 0.00119 -0.00011 0.00043 0.00028 249 34 H 1S -0.00044 -0.00023 0.00015 -0.00032 0.00022 250 2S -0.00076 -0.00021 0.00021 -0.00057 0.00043 196 197 198 199 200 196 2PY 0.39029 197 2PZ -0.00021 0.40214 198 3S -0.06240 0.00303 0.31817 199 3PX -0.00854 0.00006 0.00969 0.09751 200 3PY 0.19951 -0.00104 -0.03875 -0.00517 0.10835 201 3PZ 0.00002 0.18913 0.00164 0.00009 -0.00124 202 4XX 0.01152 -0.00779 -0.00025 0.00235 0.00573 203 4YY -0.01333 0.00274 -0.00168 0.00440 -0.00595 204 4ZZ 0.00808 0.00454 -0.00011 -0.00765 0.00394 205 4XY 0.00886 -0.00499 -0.00013 0.00654 0.00440 206 4XZ -0.00490 -0.01913 0.00034 -0.00427 -0.00243 207 4YZ 0.00318 0.01005 0.00024 -0.00242 0.00136 208 20 H 1S 0.13772 -0.05234 0.08360 0.10434 0.07024 209 2S 0.11752 -0.04301 0.00193 0.08269 0.05964 210 21 H 1S 0.03696 -0.19675 0.08846 -0.08464 0.01963 211 2S 0.02898 -0.16756 0.01209 -0.06917 0.01495 212 22 H 1S 0.09352 0.22079 0.08394 -0.05548 0.04741 213 2S 0.07762 0.18938 0.00857 -0.04571 0.03886 214 23 H 1S 0.01482 -0.01396 -0.02111 0.00088 0.00230 215 2S 0.02022 0.00106 -0.01541 -0.00317 0.00542 216 24 H 1S -0.03037 0.00576 0.04117 0.00721 -0.02281 217 2S -0.06278 0.01189 0.05561 0.00496 -0.04235 218 25 H 1S -0.00018 -0.00181 -0.00548 0.00320 0.00099 219 2S 0.00328 -0.00263 -0.00636 0.00128 0.00240 220 26 H 1S -0.00148 0.01004 -0.00520 0.00529 -0.01085 221 2S -0.01438 0.00460 0.00823 -0.00167 -0.01650 222 27 H 1S 0.00293 0.00264 -0.00786 0.00223 -0.00075 223 2S -0.00201 0.00610 -0.00400 0.00426 -0.00512 224 28 C 1S -0.00002 -0.00003 0.00019 -0.00013 -0.00055 225 2S 0.00052 -0.00009 -0.00077 -0.00007 0.00128 226 2PX 0.00013 -0.00018 -0.00268 -0.00074 0.00232 227 2PY -0.00049 -0.00105 -0.00029 -0.00027 0.00029 228 2PZ -0.00020 0.00047 0.00077 -0.00059 -0.00117 229 3S -0.00241 -0.00052 -0.00023 0.00179 -0.00065 230 3PX -0.00052 0.00040 -0.00151 0.00076 0.00058 231 3PY -0.00068 -0.00117 0.00120 -0.00035 0.00078 232 3PZ 0.00020 0.00034 0.00035 -0.00062 -0.00074 233 4XX 0.00005 0.00001 -0.00003 -0.00000 0.00004 234 4YY 0.00001 -0.00006 -0.00004 -0.00016 0.00009 235 4ZZ 0.00008 -0.00006 0.00009 0.00001 -0.00005 236 4XY 0.00002 -0.00001 -0.00010 0.00003 0.00006 237 4XZ 0.00011 -0.00007 -0.00001 0.00016 0.00006 238 4YZ -0.00009 0.00006 0.00008 -0.00013 -0.00009 239 29 H 1S -0.00028 -0.00017 -0.00165 -0.00009 0.00112 240 2S 0.00254 0.00004 -0.00328 -0.00128 0.00165 241 30 H 1S 0.00049 -0.00025 0.00041 0.00110 0.00014 242 2S 0.00078 -0.00030 0.00036 0.00143 -0.00006 243 31 H 1S -0.00054 0.00034 0.00113 -0.00049 -0.00107 244 2S -0.00119 0.00107 0.00119 -0.00073 -0.00150 245 32 H 1S 0.00002 -0.00033 0.00085 -0.00001 0.00060 246 2S 0.00045 -0.00010 -0.00011 0.00018 0.00045 247 33 H 1S -0.00037 0.00055 -0.00080 -0.00090 -0.00000 248 2S -0.00099 0.00112 -0.00059 -0.00122 -0.00061 249 34 H 1S 0.00040 -0.00004 -0.00090 0.00082 0.00003 250 2S 0.00068 0.00002 -0.00109 0.00172 -0.00015 201 202 203 204 205 201 3PZ 0.09066 202 4XX -0.00357 0.00076 203 4YY 0.00108 -0.00022 0.00107 204 4ZZ 0.00221 0.00013 -0.00048 0.00100 205 4XY -0.00237 0.00047 0.00003 -0.00044 0.00110 206 4XZ -0.00870 0.00013 -0.00021 0.00006 -0.00025 207 4YZ 0.00428 -0.00018 -0.00012 0.00033 -0.00025 208 20 H 1S -0.02483 0.00816 -0.00109 -0.00599 0.01269 209 2S -0.02008 0.00635 -0.00019 -0.00511 0.01123 210 21 H 1S -0.09130 0.00322 -0.00772 0.00561 -0.00289 211 2S -0.07491 0.00275 -0.00621 0.00450 -0.00317 212 22 H 1S 0.10228 -0.00259 -0.00502 0.00884 -0.00440 213 2S 0.08537 -0.00258 -0.00329 0.00697 -0.00416 214 23 H 1S -0.01353 0.00127 -0.00071 -0.00007 0.00009 215 2S -0.00768 0.00094 -0.00111 0.00066 -0.00100 216 24 H 1S 0.00302 -0.00082 -0.00091 0.00022 -0.00220 217 2S 0.00722 -0.00180 -0.00038 -0.00014 -0.00308 218 25 H 1S -0.00325 0.00010 -0.00031 0.00048 -0.00049 219 2S -0.00649 0.00007 -0.00030 0.00049 -0.00058 220 26 H 1S 0.01107 0.00025 0.00004 -0.00035 0.00033 221 2S 0.00701 -0.00026 -0.00019 0.00004 -0.00064 222 27 H 1S 0.00315 0.00022 0.00007 -0.00019 0.00041 223 2S 0.00510 0.00011 0.00013 -0.00035 0.00028 224 28 C 1S 0.00024 -0.00004 0.00000 -0.00002 -0.00003 225 2S -0.00048 0.00006 -0.00007 0.00002 -0.00000 226 2PX -0.00059 0.00011 -0.00000 0.00006 0.00007 227 2PY 0.00072 -0.00003 0.00011 0.00008 -0.00011 228 2PZ 0.00066 0.00002 -0.00002 -0.00005 -0.00001 229 3S -0.00039 0.00009 0.00003 -0.00020 0.00010 230 3PX -0.00005 0.00007 0.00006 -0.00008 0.00010 231 3PY -0.00039 -0.00005 0.00007 0.00006 -0.00011 232 3PZ 0.00045 0.00001 -0.00005 0.00001 -0.00004 233 4XX 0.00004 -0.00000 -0.00000 0.00001 -0.00000 234 4YY -0.00004 0.00001 -0.00001 0.00001 -0.00001 235 4ZZ -0.00002 -0.00000 -0.00000 0.00001 -0.00000 236 4XY -0.00002 -0.00000 0.00001 0.00000 0.00001 237 4XZ -0.00012 -0.00001 0.00000 0.00000 0.00002 238 4YZ 0.00012 0.00001 -0.00001 -0.00000 -0.00002 239 29 H 1S 0.00016 0.00004 0.00006 0.00004 0.00002 240 2S 0.00040 0.00006 -0.00003 0.00015 0.00004 241 30 H 1S -0.00049 -0.00006 0.00000 0.00001 0.00003 242 2S -0.00067 -0.00010 0.00004 0.00002 0.00008 243 31 H 1S 0.00093 0.00001 -0.00004 -0.00003 -0.00012 244 2S 0.00152 0.00003 -0.00005 -0.00005 -0.00018 245 32 H 1S -0.00077 -0.00003 -0.00003 -0.00001 -0.00002 246 2S -0.00045 0.00001 -0.00004 -0.00004 0.00004 247 33 H 1S 0.00077 0.00008 -0.00005 0.00001 -0.00008 248 2S 0.00171 0.00015 -0.00014 0.00001 -0.00023 249 34 H 1S -0.00004 -0.00002 0.00003 0.00002 0.00008 250 2S -0.00001 -0.00004 0.00003 0.00002 0.00013 206 207 208 209 210 206 4XZ 0.00127 207 4YZ -0.00057 0.00074 208 20 H 1S -0.00439 -0.00286 0.21383 209 2S -0.00372 -0.00262 0.15695 0.13168 210 21 H 1S 0.01321 -0.00322 -0.02166 -0.03883 0.21120 211 2S 0.01197 -0.00422 -0.03985 -0.03823 0.15999 212 22 H 1S -0.00965 0.00873 -0.02173 -0.03864 -0.01933 213 2S -0.00897 0.00877 -0.04001 -0.03807 -0.04345 214 23 H 1S -0.00062 -0.00030 0.00530 0.00860 0.00101 215 2S -0.00146 0.00154 -0.00099 -0.00052 -0.00152 216 24 H 1S 0.00040 0.00091 -0.01095 -0.02472 0.00250 217 2S 0.00072 0.00089 -0.02280 -0.03490 0.00196 218 25 H 1S 0.00018 -0.00054 -0.00163 -0.00444 0.00242 219 2S -0.00039 0.00047 -0.00222 -0.00481 0.00138 220 26 H 1S -0.00030 0.00063 0.00199 0.00502 -0.00578 221 2S 0.00036 0.00078 -0.00795 -0.00695 0.00491 222 27 H 1S -0.00018 0.00021 0.00234 0.00488 -0.00231 223 2S -0.00037 0.00063 0.00165 0.00320 -0.00522 224 28 C 1S -0.00000 0.00002 -0.00010 0.00006 -0.00000 225 2S 0.00003 -0.00004 -0.00000 -0.00021 0.00038 226 2PX -0.00000 -0.00007 0.00035 0.00041 0.00009 227 2PY -0.00003 -0.00014 -0.00004 0.00001 -0.00014 228 2PZ -0.00000 0.00011 -0.00003 0.00031 -0.00036 229 3S 0.00005 0.00006 0.00094 0.00050 -0.00068 230 3PX -0.00010 0.00007 0.00098 0.00092 -0.00133 231 3PY 0.00002 -0.00019 -0.00010 -0.00061 0.00040 232 3PZ 0.00002 0.00007 -0.00055 -0.00016 0.00037 233 4XX -0.00000 0.00000 -0.00002 -0.00005 0.00003 234 4YY 0.00001 -0.00000 -0.00006 -0.00005 0.00008 235 4ZZ 0.00001 -0.00000 -0.00005 -0.00004 0.00010 236 4XY -0.00001 -0.00001 0.00007 0.00012 -0.00005 237 4XZ 0.00000 -0.00001 0.00006 0.00005 0.00003 238 4YZ 0.00001 0.00002 -0.00010 -0.00013 0.00002 239 29 H 1S -0.00004 -0.00009 0.00033 0.00045 -0.00030 240 2S -0.00004 -0.00004 -0.00023 0.00083 0.00037 241 30 H 1S 0.00000 -0.00006 0.00011 -0.00016 0.00022 242 2S -0.00004 -0.00005 0.00018 0.00011 0.00013 243 31 H 1S 0.00002 0.00008 -0.00043 -0.00052 -0.00015 244 2S -0.00003 0.00019 -0.00058 -0.00086 -0.00079 245 32 H 1S 0.00001 -0.00002 -0.00009 -0.00039 0.00022 246 2S 0.00001 0.00002 0.00022 0.00019 0.00011 247 33 H 1S 0.00002 0.00012 -0.00039 -0.00058 -0.00007 248 2S 0.00006 0.00018 -0.00092 -0.00140 -0.00002 249 34 H 1S -0.00001 -0.00004 0.00032 0.00048 -0.00003 250 2S -0.00002 -0.00007 0.00054 0.00067 -0.00008 211 212 213 214 215 211 2S 0.14056 212 22 H 1S -0.04327 0.21084 213 2S -0.05115 0.16140 0.14209 214 23 H 1S 0.00026 -0.00512 0.01160 0.21416 215 2S -0.00594 0.01210 0.02890 0.17196 0.16518 216 24 H 1S 0.00005 0.00398 0.00095 -0.02375 -0.04753 217 2S -0.00022 0.00330 -0.00186 -0.04355 -0.04726 218 25 H 1S 0.00517 -0.00029 0.00265 0.02685 0.05308 219 2S -0.00118 0.00379 0.01161 0.05240 0.08057 220 26 H 1S 0.00756 0.00125 0.00243 -0.01619 -0.02103 221 2S 0.01171 0.00344 0.00311 -0.01876 -0.02242 222 27 H 1S 0.00275 0.00009 0.00156 -0.00042 -0.00133 223 2S 0.00012 0.00112 0.00336 -0.00217 -0.00314 224 28 C 1S 0.00065 0.00010 0.00000 -0.00035 -0.00114 225 2S -0.00066 -0.00005 0.00001 0.00112 0.00259 226 2PX -0.00153 -0.00044 0.00004 0.00182 0.00762 227 2PY 0.00140 -0.00042 -0.00088 -0.00021 0.00207 228 2PZ -0.00003 0.00021 0.00003 -0.00043 -0.00017 229 3S -0.00140 -0.00156 -0.00103 -0.00073 0.00204 230 3PX -0.00196 -0.00046 0.00030 0.00266 0.00622 231 3PY 0.00015 -0.00031 -0.00097 0.00190 0.00373 232 3PZ 0.00081 0.00050 0.00040 0.00027 0.00155 233 4XX 0.00006 0.00005 0.00003 -0.00004 0.00023 234 4YY -0.00004 -0.00001 -0.00001 0.00010 -0.00030 235 4ZZ 0.00019 0.00003 0.00000 -0.00003 0.00012 236 4XY -0.00002 -0.00005 -0.00001 -0.00005 0.00008 237 4XZ 0.00004 -0.00004 -0.00001 -0.00007 0.00072 238 4YZ 0.00004 0.00007 0.00001 0.00011 -0.00095 239 29 H 1S -0.00033 -0.00041 -0.00018 -0.00006 0.00328 240 2S 0.00111 0.00040 0.00079 -0.00117 -0.00011 241 30 H 1S 0.00046 -0.00002 0.00000 -0.00035 0.00101 242 2S 0.00068 0.00014 0.00045 0.00068 0.00672 243 31 H 1S 0.00046 0.00033 -0.00015 -0.00032 -0.00412 244 2S -0.00024 0.00067 0.00028 0.00019 -0.00781 245 32 H 1S -0.00118 -0.00002 -0.00007 -0.00027 -0.00115 246 2S -0.00075 -0.00006 0.00008 -0.00037 -0.00121 247 33 H 1S -0.00003 0.00040 0.00028 0.00128 -0.00336 248 2S 0.00055 0.00066 0.00024 0.00249 -0.00648 249 34 H 1S 0.00088 -0.00015 0.00005 -0.00010 0.00762 250 2S 0.00153 -0.00020 0.00013 0.00039 0.01282 216 217 218 219 220 216 24 H 1S 0.21510 217 2S 0.16352 0.14572 218 25 H 1S -0.01483 -0.01735 0.21373 219 2S -0.01848 -0.01929 0.16900 0.15720 220 26 H 1S 0.02780 0.04961 -0.02393 -0.04743 0.21699 221 2S 0.04997 0.06850 -0.04750 -0.05067 0.16970 222 27 H 1S -0.00193 0.01429 -0.01476 -0.01352 0.02710 223 2S 0.01190 0.02705 -0.01218 -0.00949 0.04713 224 28 C 1S 0.00100 0.00047 -0.00177 -0.00267 0.00278 225 2S -0.00230 -0.00148 0.00335 0.00521 -0.00666 226 2PX -0.00416 -0.00333 0.00731 0.01432 -0.01216 227 2PY -0.00151 -0.00823 0.00231 0.00384 -0.01265 228 2PZ 0.00279 0.00339 -0.00406 -0.00564 0.00440 229 3S -0.00434 0.00001 0.01075 0.01212 -0.00703 230 3PX -0.00360 -0.00240 0.00689 0.01117 -0.00588 231 3PY -0.00426 -0.01005 0.00607 0.00808 -0.02336 232 3PZ 0.00047 0.00206 -0.00308 -0.00242 0.00578 233 4XX 0.00017 -0.00001 0.00013 0.00051 0.00022 234 4YY -0.00026 -0.00037 -0.00030 -0.00058 -0.00097 235 4ZZ 0.00007 0.00008 0.00041 0.00034 0.00011 236 4XY -0.00026 -0.00019 -0.00015 -0.00016 -0.00015 237 4XZ -0.00024 0.00008 0.00138 0.00193 0.00003 238 4YZ 0.00024 -0.00008 -0.00148 -0.00211 0.00019 239 29 H 1S -0.00161 -0.00277 0.00179 0.00542 -0.00422 240 2S 0.00129 0.00126 -0.00699 -0.00606 0.01148 241 30 H 1S -0.00060 0.00011 0.00501 0.00584 0.00140 242 2S -0.00093 0.00070 0.01024 0.01457 0.00380 243 31 H 1S 0.00260 0.00036 -0.00687 -0.01049 0.00122 244 2S 0.00515 0.00129 -0.01264 -0.01838 0.00395 245 32 H 1S -0.00002 -0.00080 -0.00113 -0.00241 -0.00121 246 2S -0.00011 0.00148 -0.00311 -0.00389 0.00483 247 33 H 1S 0.00084 -0.00058 -0.00553 -0.00754 -0.00132 248 2S 0.00130 -0.00106 -0.01041 -0.01419 -0.00094 249 34 H 1S -0.00064 0.00105 0.00909 0.01675 -0.00022 250 2S -0.00048 0.00271 0.01811 0.02868 0.00152 221 222 223 224 225 221 2S 0.15648 222 27 H 1S 0.05280 0.21765 223 2S 0.07301 0.17874 0.17300 224 28 C 1S -0.00430 -0.00814 -0.01362 2.05071 225 2S 0.00513 0.01614 0.02656 -0.05253 0.29866 226 2PX 0.01849 0.02055 0.04939 -0.00006 0.00053 227 2PY -0.01628 -0.03342 -0.07029 -0.00095 0.00311 228 2PZ 0.00023 0.00731 0.01391 0.00034 -0.00098 229 3S 0.01226 0.05635 0.07675 -0.18713 0.28923 230 3PX 0.00992 0.01574 0.03257 -0.00117 0.00079 231 3PY -0.02475 -0.03597 -0.05609 0.00136 0.00218 232 3PZ 0.00356 0.00860 0.01221 -0.00045 -0.00039 233 4XX -0.00027 -0.00179 -0.00249 -0.01834 -0.00060 234 4YY 0.00021 0.00039 0.00119 -0.01704 -0.00314 235 4ZZ -0.00100 -0.00055 -0.00189 -0.01841 -0.00027 236 4XY 0.00079 0.00103 0.00021 -0.00093 0.00228 237 4XZ -0.00023 -0.00019 0.00006 0.00023 -0.00056 238 4YZ -0.00053 -0.00042 -0.00114 -0.00038 0.00076 239 29 H 1S 0.01203 0.00344 0.00233 -0.05341 0.10386 240 2S 0.01995 0.00207 -0.00274 -0.00601 0.02409 241 30 H 1S -0.00587 -0.00633 -0.01570 -0.05230 0.10071 242 2S -0.00638 -0.01287 -0.02223 -0.00685 0.02383 243 31 H 1S -0.00816 -0.00629 -0.01706 -0.05225 0.10065 244 2S -0.00691 -0.01294 -0.02401 -0.00666 0.02361 245 32 H 1S -0.00022 -0.00480 0.01355 -0.00860 0.01794 246 2S 0.00738 0.01524 0.03257 -0.01253 0.02637 247 33 H 1S -0.00042 0.00505 0.00413 0.00346 -0.00794 248 2S 0.00041 0.00939 0.00617 0.00074 -0.00341 249 34 H 1S -0.00158 0.00494 0.00446 0.00350 -0.00808 250 2S -0.00029 0.00916 0.00698 0.00088 -0.00371 226 227 228 229 230 226 2PX 0.40253 227 2PY 0.00706 0.39378 228 2PZ -0.00211 0.00107 0.39995 229 3S 0.02872 -0.06147 0.01319 0.32158 230 3PX 0.19795 -0.00889 0.00135 0.02145 0.09924 231 3PY 0.00192 0.19810 -0.00393 -0.03817 -0.00674 232 3PZ -0.00081 -0.00270 0.18611 0.00854 0.00124 233 4XX -0.00167 0.00594 -0.00449 -0.00034 -0.00080 234 4YY 0.01453 -0.00356 0.00188 -0.00178 0.00677 235 4ZZ -0.01599 0.00338 0.00132 -0.00033 -0.00786 236 4XY 0.00797 0.01542 -0.01055 -0.00008 0.00318 237 4XZ -0.00531 -0.01054 -0.02003 0.00009 -0.00231 238 4YZ -0.01047 0.00208 0.00480 0.00050 -0.00503 239 29 H 1S 0.18365 0.18333 -0.06264 0.08166 0.08343 240 2S 0.14907 0.15865 -0.05273 -0.00068 0.06519 241 30 H 1S -0.16810 -0.02605 -0.20125 0.08565 -0.08224 242 2S -0.14223 -0.02423 -0.17701 0.01106 -0.06909 243 31 H 1S -0.13761 0.08302 0.20900 0.08469 -0.06853 244 2S -0.11618 0.07200 0.18437 0.00988 -0.05798 245 32 H 1S 0.00379 -0.03021 0.00799 0.04401 0.01017 246 2S 0.00170 -0.06386 0.01764 0.06095 0.00985 247 33 H 1S 0.00255 0.00942 -0.01411 -0.00810 0.00250 248 2S -0.00663 0.00884 -0.00011 -0.00009 -0.00171 249 34 H 1S 0.00394 0.01504 0.00670 -0.00813 0.00419 250 2S -0.00761 0.00811 -0.00376 -0.00036 -0.00070 231 232 233 234 235 231 3PY 0.10536 232 3PZ -0.00455 0.08817 233 4XX 0.00300 -0.00209 0.00044 234 4YY -0.00122 0.00058 -0.00010 0.00105 235 4ZZ 0.00163 0.00074 0.00028 -0.00052 0.00089 236 4XY 0.00749 -0.00485 0.00018 0.00014 -0.00018 237 4XZ -0.00489 -0.00886 0.00015 -0.00031 0.00013 238 4YZ 0.00074 0.00189 0.00004 -0.00036 0.00037 239 29 H 1S 0.09183 -0.03035 0.00237 0.00427 -0.00563 240 2S 0.07890 -0.02528 0.00144 0.00444 -0.00474 241 30 H 1S -0.00982 -0.09210 0.00305 -0.00821 0.00635 242 2S -0.00891 -0.07864 0.00292 -0.00728 0.00555 243 31 H 1S 0.03982 0.09513 -0.00026 -0.00538 0.00683 244 2S 0.03396 0.08147 -0.00028 -0.00373 0.00518 245 32 H 1S -0.01679 0.00384 0.00009 -0.00213 0.00021 246 2S -0.03670 0.00940 -0.00050 -0.00215 0.00006 247 33 H 1S -0.00258 -0.01338 0.00089 -0.00042 -0.00010 248 2S -0.00293 -0.00813 0.00087 -0.00058 -0.00006 249 34 H 1S 0.00347 0.01241 0.00107 -0.00031 -0.00037 250 2S 0.00051 0.00879 0.00153 -0.00185 0.00059 236 237 238 239 240 236 4XY 0.00126 237 4XZ -0.00000 0.00156 238 4YZ -0.00032 -0.00037 0.00063 239 29 H 1S 0.01354 -0.00440 -0.00442 0.21340 240 2S 0.01179 -0.00376 -0.00410 0.16003 0.13712 241 30 H 1S 0.00166 0.01354 0.00143 -0.02172 -0.03907 242 2S 0.00094 0.01313 -0.00014 -0.04052 -0.03889 243 31 H 1S -0.00456 -0.01169 0.00768 -0.02184 -0.03876 244 2S -0.00489 -0.01124 0.00763 -0.04083 -0.03923 245 32 H 1S -0.00226 0.00062 0.00101 -0.01275 -0.02801 246 2S -0.00360 0.00097 0.00110 -0.02720 -0.04105 247 33 H 1S 0.00030 -0.00074 -0.00010 0.00410 0.00516 248 2S -0.00084 -0.00219 0.00179 -0.00224 -0.00363 249 34 H 1S 0.00057 0.00031 0.00010 0.00399 0.00628 250 2S 0.00005 0.00227 -0.00075 -0.00268 -0.00239 241 242 243 244 245 241 30 H 1S 0.21115 242 2S 0.16546 0.14890 243 31 H 1S -0.02025 -0.04574 0.21128 244 2S -0.04577 -0.05561 0.16606 0.14969 245 32 H 1S 0.00426 -0.00184 0.00454 -0.00163 0.21229 246 2S 0.00511 -0.00296 0.00605 -0.00202 0.15958 247 33 H 1S 0.00025 -0.00439 -0.00412 0.01224 -0.02180 248 2S -0.00440 -0.01481 0.01192 0.02965 -0.04069 249 34 H 1S -0.00398 0.01229 0.00011 -0.00432 -0.02176 250 2S 0.01232 0.03016 -0.00433 -0.01440 -0.04058 246 247 248 249 250 246 2S 0.13595 247 33 H 1S -0.03767 0.21149 248 2S -0.03776 0.16762 0.15324 249 34 H 1S -0.03778 -0.02112 -0.04741 0.21146 250 2S -0.03800 -0.04736 -0.05851 0.16741 0.15305 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05082 2 2S -0.01165 0.30006 3 2PX 0.00000 0.00000 0.40040 4 2PY 0.00000 0.00000 -0.00000 0.39519 5 2PZ 0.00000 0.00000 -0.00000 0.00000 0.39893 6 3S -0.03428 0.23650 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.11418 0.00000 0.00000 8 3PY 0.00000 0.00000 -0.00000 0.10867 -0.00000 9 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.10512 10 4XX -0.00142 -0.00120 0.00000 0.00000 0.00000 11 4YY -0.00139 -0.00134 0.00000 0.00000 0.00000 12 4ZZ -0.00145 -0.00027 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 -0.00063 -0.00075 -0.00009 17 2S -0.00020 0.00535 0.01283 0.01471 0.00182 18 2PX -0.00059 0.01112 0.00992 0.02355 0.00304 19 2PY -0.00073 0.01336 0.02465 0.01527 0.00388 20 2PZ -0.00009 0.00164 0.00315 0.00383 0.00070 21 3S 0.00017 0.00114 0.00801 0.01504 0.00169 22 3PX -0.00067 0.00805 -0.00093 0.00703 0.00105 23 3PY 0.00003 0.00316 0.00070 0.00040 0.00061 24 3PZ -0.00002 0.00059 0.00050 0.00079 0.00005 25 4XX -0.00001 0.00016 -0.00077 0.00064 0.00009 26 4YY -0.00002 0.00051 0.00121 -0.00085 0.00011 27 4ZZ 0.00000 -0.00014 -0.00021 -0.00021 0.00002 28 4XY -0.00010 0.00158 0.00065 0.00098 0.00041 29 4XZ -0.00001 0.00017 0.00007 0.00039 0.00036 30 4YZ -0.00001 0.00017 0.00033 0.00006 0.00029 31 3 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00007 -0.00027 -0.00002 -0.00001 33 2PX 0.00000 -0.00020 -0.00057 -0.00015 -0.00004 34 2PY 0.00000 -0.00003 -0.00008 0.00001 -0.00001 35 2PZ 0.00000 -0.00001 -0.00003 -0.00001 -0.00003 36 3S 0.00005 -0.00104 -0.00296 -0.00022 -0.00006 37 3PX -0.00003 0.00060 0.00333 -0.00075 -0.00015 38 3PY 0.00000 -0.00007 0.00109 -0.00035 -0.00001 39 3PZ 0.00000 -0.00001 0.00011 -0.00003 -0.00088 40 4XX -0.00000 0.00001 0.00008 0.00002 0.00000 41 4YY 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 42 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY -0.00000 0.00001 0.00006 0.00000 0.00000 44 4XZ -0.00000 0.00000 0.00001 0.00000 0.00000 45 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 46 4 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 47 2S -0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 51 3S -0.00000 0.00002 0.00009 0.00001 0.00000 52 3PX -0.00000 0.00004 0.00013 0.00003 0.00000 53 3PY -0.00000 0.00002 0.00008 0.00001 0.00000 54 3PZ -0.00000 0.00000 0.00001 0.00000 -0.00000 55 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 56 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 57 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 58 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 59 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 60 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 62 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 63 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 64 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 65 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 66 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 67 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 68 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 69 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 71 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 72 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 80 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 81 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 82 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 83 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 84 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 85 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 87 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 89 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 90 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 97 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 98 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 99 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 3S -0.00000 0.00000 0.00000 0.00000 0.00000 112 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 113 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 114 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 115 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 127 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 128 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 129 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 130 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 143 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 144 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 145 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 146 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 147 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 3S 0.00000 0.00000 0.00000 0.00000 0.00000 157 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2S 0.00000 0.00000 0.00000 0.00000 0.00000 168 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2S 0.00000 0.00000 0.00000 0.00000 0.00000 170 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 0.00000 0.00000 0.00000 0.00000 172 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 3S 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 182 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 183 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 193 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 195 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 196 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 197 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 198 3S -0.00000 0.00000 0.00000 0.00000 0.00000 199 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 200 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 201 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 202 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 203 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 206 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S -0.00000 0.00000 0.00000 0.00000 0.00000 210 21 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 211 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 214 23 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 215 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 216 24 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 217 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 218 25 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 220 26 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 221 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 222 27 H 1S 0.00000 -0.00001 -0.00005 0.00000 -0.00000 223 2S 0.00003 -0.00059 -0.00163 0.00013 -0.00004 224 28 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 -0.00004 -0.00000 -0.00017 -0.00001 226 2PX 0.00000 -0.00000 -0.00001 0.00001 0.00000 227 2PY 0.00000 -0.00018 -0.00004 -0.00053 -0.00007 228 2PZ 0.00000 -0.00001 -0.00000 -0.00007 -0.00000 229 3S 0.00010 -0.00171 -0.00026 -0.00489 -0.00042 230 3PX -0.00000 0.00001 -0.00036 0.00050 0.00004 231 3PY 0.00019 -0.00262 -0.00076 -0.00452 -0.00080 232 3PZ 0.00001 -0.00021 -0.00006 -0.00064 -0.00030 233 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 234 4YY -0.00000 0.00001 0.00001 0.00007 0.00001 235 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 236 4XY -0.00000 0.00000 -0.00000 0.00002 0.00000 237 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 238 4YZ -0.00000 0.00000 0.00000 0.00002 -0.00000 239 29 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 240 2S -0.00000 0.00010 0.00003 0.00033 0.00003 241 30 H 1S 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 242 2S 0.00000 -0.00009 0.00004 -0.00023 -0.00001 243 31 H 1S 0.00000 -0.00000 0.00000 -0.00001 -0.00000 244 2S 0.00000 -0.00010 0.00003 -0.00026 0.00001 245 32 H 1S -0.00171 0.02816 0.02055 0.07322 0.00372 246 2S -0.00064 0.01158 0.01145 0.04581 0.00238 247 33 H 1S -0.00164 0.02689 0.02621 0.00721 0.06241 248 2S -0.00060 0.01091 0.01626 0.00460 0.04049 249 34 H 1S -0.00164 0.02690 0.04131 0.00202 0.05250 250 2S -0.00061 0.01091 0.02584 0.00136 0.03407 6 7 8 9 10 6 3S 0.32092 7 3PX 0.00000 0.10268 8 3PY 0.00000 0.00000 0.09483 9 3PZ 0.00000 0.00000 -0.00000 0.08734 10 4XX -0.00034 0.00000 0.00000 0.00000 0.00053 11 4YY -0.00092 0.00000 0.00000 0.00000 -0.00008 12 4ZZ -0.00014 0.00000 0.00000 0.00000 0.00009 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 -0.00093 -0.00088 -0.00011 -0.00002 17 2S 0.00415 0.01173 0.00974 0.00130 0.00033 18 2PX 0.01696 -0.00089 0.01574 0.00211 -0.00066 19 2PY 0.02582 0.01895 0.00130 0.00293 0.00091 20 2PZ 0.00296 0.00244 0.00276 0.00394 0.00012 21 3S -0.00876 0.00591 0.01074 0.00127 0.00042 22 3PX 0.01181 -0.00634 0.00535 0.00092 -0.00038 23 3PY 0.00495 0.00106 -0.00173 0.00092 0.00026 24 3PZ 0.00080 0.00062 0.00098 0.00588 0.00013 25 4XX 0.00042 -0.00088 0.00075 0.00008 0.00002 26 4YY 0.00082 0.00094 -0.00083 0.00012 -0.00008 27 4ZZ -0.00018 -0.00022 -0.00011 -0.00014 -0.00001 28 4XY 0.00119 -0.00001 0.00005 0.00010 0.00000 29 4XZ 0.00012 -0.00000 0.00008 0.00018 -0.00000 30 4YZ 0.00009 0.00008 0.00000 0.00026 -0.00001 31 3 C 1S 0.00009 0.00017 0.00002 0.00001 -0.00000 32 2S -0.00126 -0.00264 -0.00007 -0.00006 0.00002 33 2PX -0.00400 -0.00324 -0.00202 -0.00034 0.00011 34 2PY -0.00101 -0.00086 -0.00011 0.00003 0.00000 35 2PZ -0.00022 -0.00016 0.00000 0.00017 0.00001 36 3S -0.00433 -0.00710 -0.00030 -0.00019 0.00024 37 3PX -0.00002 0.00477 -0.00237 -0.00026 0.00038 38 3PY -0.00024 0.00171 -0.00145 0.00018 0.00003 39 3PZ -0.00012 0.00035 0.00007 -0.00002 0.00006 40 4XX 0.00019 0.00047 0.00005 0.00002 0.00000 41 4YY -0.00007 -0.00015 0.00000 0.00000 -0.00000 42 4ZZ 0.00004 0.00004 0.00002 -0.00000 -0.00000 43 4XY 0.00017 0.00024 -0.00004 0.00002 -0.00000 44 4XZ 0.00002 0.00004 0.00001 0.00002 0.00000 45 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 46 4 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 47 2S 0.00002 0.00003 0.00001 0.00000 -0.00000 48 2PX 0.00008 0.00012 0.00007 0.00001 -0.00000 49 2PY 0.00002 0.00003 0.00000 0.00000 -0.00000 50 2PZ 0.00000 0.00001 0.00000 -0.00000 -0.00000 51 3S 0.00053 0.00111 0.00021 0.00005 -0.00000 52 3PX 0.00110 0.00130 0.00051 0.00008 -0.00001 53 3PY 0.00040 0.00067 0.00005 0.00002 -0.00000 54 3PZ 0.00006 0.00009 0.00001 -0.00003 -0.00000 55 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 56 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 57 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 59 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 61 5 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 62 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 63 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 64 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 65 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 66 3S -0.00000 -0.00001 -0.00000 0.00000 -0.00000 67 3PX -0.00002 -0.00001 -0.00001 -0.00000 -0.00000 68 3PY -0.00000 -0.00001 -0.00000 0.00000 0.00000 69 3PZ -0.00000 -0.00001 -0.00000 -0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 72 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 75 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 76 6 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 78 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 79 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 80 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 81 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 82 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 83 3PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 84 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 85 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 87 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 89 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 90 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 93 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 96 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 97 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 98 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 99 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 106 8 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 107 2S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 109 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 111 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 112 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 113 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 114 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 115 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 116 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 117 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 120 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 123 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 124 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 125 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 126 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 127 3PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 128 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 129 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 130 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 132 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 133 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 134 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 135 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 136 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 138 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 139 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 140 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 141 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 143 3PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 144 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 145 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 146 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 147 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 148 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 149 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 150 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 3S 0.00000 0.00000 0.00000 0.00000 0.00000 157 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 159 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 168 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 170 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 172 15 O 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 173 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 174 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 175 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 177 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 178 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 179 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 181 4XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 182 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 183 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 184 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 186 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 187 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 189 17 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 190 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 191 18 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 192 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 193 19 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 195 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 196 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 197 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 198 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 199 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 200 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 201 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 202 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 203 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 205 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 206 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 207 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 210 21 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 211 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 212 22 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 213 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 214 23 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 215 2S -0.00001 -0.00002 -0.00001 0.00000 0.00000 216 24 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 217 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 218 25 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 2S -0.00005 -0.00008 -0.00003 -0.00001 0.00000 220 26 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 221 2S -0.00003 -0.00000 0.00007 0.00000 -0.00000 222 27 H 1S -0.00101 -0.00166 -0.00001 -0.00001 0.00000 223 2S -0.00614 -0.00652 0.00025 -0.00010 -0.00007 224 28 C 1S 0.00010 0.00001 0.00017 0.00001 0.00000 225 2S -0.00154 -0.00011 -0.00219 -0.00019 -0.00000 226 2PX -0.00002 -0.00031 0.00026 0.00001 -0.00000 227 2PY -0.00511 -0.00084 -0.00408 -0.00080 -0.00001 228 2PZ -0.00039 -0.00007 -0.00061 -0.00030 -0.00000 229 3S -0.01121 -0.00108 -0.01300 -0.00117 -0.00008 230 3PX 0.00033 -0.00162 0.00118 0.00009 0.00001 231 3PY -0.01513 -0.00220 -0.00741 -0.00176 -0.00025 232 3PZ -0.00113 -0.00018 -0.00125 -0.00135 -0.00001 233 4XX -0.00001 -0.00001 -0.00010 -0.00001 0.00000 234 4YY 0.00015 0.00003 0.00037 0.00008 -0.00000 235 4ZZ 0.00000 0.00001 0.00003 -0.00001 0.00000 236 4XY 0.00006 -0.00006 0.00008 0.00001 -0.00000 237 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 238 4YZ 0.00002 0.00000 0.00006 0.00002 -0.00000 239 29 H 1S 0.00008 0.00004 0.00011 0.00001 0.00000 240 2S 0.00167 0.00042 0.00220 0.00022 0.00000 241 30 H 1S -0.00015 -0.00003 -0.00001 -0.00040 0.00000 242 2S -0.00032 0.00001 0.00017 -0.00114 0.00002 243 31 H 1S -0.00015 -0.00001 -0.00036 -0.00004 0.00000 244 2S -0.00029 0.00004 -0.00069 -0.00011 0.00001 245 32 H 1S 0.03222 0.01290 0.05010 0.00259 -0.00067 246 2S 0.00197 0.01053 0.04886 0.00260 -0.00132 247 33 H 1S 0.03183 0.01855 0.00478 0.03991 -0.00012 248 2S 0.00649 0.01802 0.00458 0.03878 -0.00011 249 34 H 1S 0.03186 0.02864 0.00120 0.03341 0.00087 250 2S 0.00642 0.02769 0.00122 0.03227 0.00139 11 12 13 14 15 11 4YY 0.00129 12 4ZZ -0.00018 0.00091 13 4XY -0.00000 -0.00000 0.00107 14 4XZ -0.00000 0.00000 0.00000 0.00169 15 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00047 16 2 C 1S -0.00003 0.00000 -0.00008 -0.00001 -0.00001 17 2S 0.00054 -0.00029 0.00140 0.00017 0.00021 18 2PX 0.00124 -0.00030 0.00048 0.00007 0.00036 19 2PY -0.00070 -0.00030 0.00098 0.00040 0.00011 20 2PZ 0.00015 0.00003 0.00039 0.00034 0.00029 21 3S 0.00051 -0.00050 0.00061 0.00008 0.00007 22 3PX 0.00085 -0.00060 -0.00000 -0.00000 0.00009 23 3PY -0.00049 0.00019 0.00001 0.00008 0.00000 24 3PZ 0.00021 -0.00019 0.00010 0.00049 0.00031 25 4XX -0.00013 0.00003 0.00002 -0.00001 -0.00004 26 4YY 0.00006 -0.00002 -0.00007 -0.00003 0.00002 27 4ZZ -0.00001 0.00001 -0.00004 -0.00000 0.00000 28 4XY -0.00003 -0.00001 0.00006 -0.00002 -0.00000 29 4XZ -0.00002 -0.00000 -0.00001 -0.00004 -0.00001 30 4YZ 0.00002 0.00000 -0.00001 -0.00002 -0.00000 31 3 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 32 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 33 2PX -0.00002 0.00000 0.00002 0.00001 -0.00000 34 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 36 3S -0.00011 0.00004 0.00001 -0.00000 -0.00001 37 3PX -0.00009 -0.00008 0.00002 0.00004 0.00001 38 3PY -0.00003 0.00000 -0.00000 0.00004 -0.00000 39 3PZ 0.00003 -0.00004 0.00003 0.00023 0.00003 40 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 42 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 43 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 46 4 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 47 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 48 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 49 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 50 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 51 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 52 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 53 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 54 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 55 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 56 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 57 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 58 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 59 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 60 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 63 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 64 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 65 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 66 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 67 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 68 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 69 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 70 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 72 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 73 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 75 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 80 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 81 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 82 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 83 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 84 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 97 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 98 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 112 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 113 3PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 114 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 115 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 127 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 128 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 129 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 130 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 142 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 143 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 144 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 145 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 146 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 147 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 3S 0.00000 0.00000 0.00000 0.00000 0.00000 157 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2S 0.00000 0.00000 0.00000 0.00000 0.00000 168 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2S 0.00000 0.00000 0.00000 0.00000 0.00000 170 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 0.00000 0.00000 0.00000 0.00000 172 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 3S 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 182 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 183 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 193 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 196 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 197 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 199 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 200 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 201 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 202 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 203 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 206 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 214 23 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 215 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 216 24 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 217 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 218 25 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 219 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 220 26 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 221 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 222 27 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 223 2S 0.00003 0.00001 0.00001 -0.00000 -0.00000 224 28 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 225 2S 0.00002 -0.00000 -0.00000 -0.00000 0.00000 226 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 227 2PY 0.00010 -0.00000 -0.00000 -0.00000 0.00002 228 2PZ 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 229 3S 0.00031 0.00000 -0.00004 -0.00000 0.00002 230 3PX -0.00002 -0.00001 -0.00002 -0.00000 0.00000 231 3PY 0.00061 0.00006 -0.00004 -0.00000 0.00005 232 3PZ 0.00008 -0.00001 0.00000 0.00000 0.00001 233 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 234 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 235 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 236 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 237 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 238 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 239 29 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 240 2S -0.00002 0.00000 0.00001 0.00000 -0.00000 241 30 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 242 2S -0.00003 -0.00001 -0.00000 0.00001 -0.00002 243 31 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 244 2S -0.00005 0.00001 0.00000 0.00000 0.00000 245 32 H 1S 0.00399 -0.00077 0.00248 0.00014 0.00046 246 2S 0.00408 -0.00176 0.00050 0.00003 0.00010 247 33 H 1S -0.00087 0.00265 0.00038 0.00296 0.00072 248 2S -0.00207 0.00291 0.00008 0.00074 0.00012 249 34 H 1S -0.00088 0.00146 0.00013 0.00391 0.00022 250 2S -0.00204 0.00130 0.00004 0.00092 0.00006 16 17 18 19 20 16 2 C 1S 2.05250 17 2S -0.01428 0.33430 18 2PX 0.00000 0.00000 0.42242 19 2PY 0.00000 0.00000 -0.00000 0.39288 20 2PZ 0.00000 0.00000 0.00000 -0.00000 0.34052 21 3S -0.02840 0.19701 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.05676 0.00000 -0.00000 23 3PY 0.00000 0.00000 -0.00000 0.03451 0.00000 24 3PZ 0.00000 0.00000 -0.00000 0.00000 0.11701 25 4XX -0.00133 -0.00214 0.00000 0.00000 0.00000 26 4YY -0.00125 -0.00401 0.00000 0.00000 0.00000 27 4ZZ -0.00092 -0.01047 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 -0.00081 -0.00364 -0.00013 -0.00001 32 2S -0.00080 0.01438 0.04669 0.00184 0.00008 33 2PX -0.00355 0.04658 0.09183 0.00587 0.00051 34 2PY -0.00019 0.00242 0.00742 0.00354 -0.00021 35 2PZ -0.00000 0.00003 0.00044 -0.00021 0.03462 36 3S -0.00083 0.01658 0.03925 0.00126 -0.00007 37 3PX -0.00217 0.02541 0.01287 0.00490 0.00017 38 3PY -0.00012 0.00157 0.00247 0.01511 -0.00014 39 3PZ -0.00000 0.00002 0.00028 -0.00011 0.05274 40 4XX -0.00028 0.00325 0.00083 0.00071 0.00001 41 4YY 0.00001 -0.00079 -0.00166 0.00006 0.00000 42 4ZZ 0.00000 -0.00048 -0.00105 -0.00004 0.00000 43 4XY -0.00003 0.00031 0.00080 0.00171 -0.00000 44 4XZ -0.00000 0.00001 0.00002 -0.00000 0.00268 45 4YZ -0.00000 0.00000 0.00001 -0.00000 0.00006 46 4 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00003 -0.00015 -0.00001 -0.00000 48 2PX 0.00000 -0.00018 -0.00055 -0.00003 -0.00001 49 2PY 0.00000 -0.00001 -0.00006 -0.00000 -0.00001 50 2PZ 0.00000 -0.00000 -0.00003 -0.00000 -0.00002 51 3S 0.00002 -0.00055 -0.00181 -0.00097 -0.00021 52 3PX 0.00011 -0.00221 -0.00298 -0.00105 0.00019 53 3PY 0.00001 -0.00007 -0.00114 0.00029 0.00001 54 3PZ 0.00000 -0.00001 -0.00017 -0.00005 -0.00030 55 4XX -0.00000 0.00001 0.00007 -0.00000 0.00000 56 4YY 0.00000 -0.00000 -0.00001 0.00000 0.00000 57 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 59 4XZ -0.00000 0.00000 0.00000 0.00000 0.00001 60 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 61 5 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 62 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 63 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 64 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 65 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 66 3S -0.00000 0.00002 0.00003 -0.00002 -0.00009 67 3PX 0.00000 -0.00001 -0.00013 -0.00002 -0.00005 68 3PY -0.00000 0.00001 0.00004 -0.00000 0.00001 69 3PZ -0.00000 0.00001 0.00004 -0.00000 0.00002 70 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 71 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 72 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 73 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 74 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 75 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 77 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 78 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 79 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 80 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 81 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 82 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 83 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 84 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 85 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 86 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 87 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 93 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 94 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 95 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 96 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 97 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 98 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 99 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 100 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 103 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 112 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 113 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 114 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 115 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 127 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 128 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 129 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 130 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 142 3PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 143 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 144 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 145 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 146 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 147 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 3S 0.00000 0.00000 0.00000 0.00000 0.00000 157 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2S 0.00000 0.00000 0.00000 0.00000 0.00000 168 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2S 0.00000 0.00000 0.00000 0.00000 0.00000 170 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 0.00000 0.00000 0.00000 0.00000 172 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 178 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 179 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 180 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 182 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 183 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 192 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 193 19 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 194 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 195 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 196 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 197 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 198 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 199 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 200 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 201 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 202 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 203 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 204 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 205 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 206 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 207 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 208 20 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 209 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 210 21 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 212 22 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 213 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 214 23 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 215 2S -0.00000 0.00001 0.00006 0.00002 0.00007 216 24 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 217 2S 0.00000 -0.00000 -0.00001 -0.00000 0.00000 218 25 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 219 2S -0.00000 0.00012 0.00040 0.00002 -0.00023 220 26 H 1S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 221 2S 0.00002 -0.00035 -0.00098 0.00019 0.00001 222 27 H 1S 0.00000 -0.00030 -0.00057 -0.00029 -0.00001 223 2S 0.00029 -0.00446 -0.00632 -0.00544 -0.00015 224 28 C 1S 0.00000 -0.00020 -0.00022 -0.00114 -0.00006 225 2S -0.00020 0.00532 0.00419 0.02067 0.00114 226 2PX -0.00026 0.00521 -0.00057 0.01577 0.00081 227 2PY -0.00116 0.02265 0.01421 0.04785 0.00415 228 2PZ -0.00006 0.00120 0.00070 0.00407 0.00125 229 3S -0.00017 0.00429 0.00518 0.03967 0.00231 230 3PX -0.00043 0.00546 -0.00159 0.01218 0.00062 231 3PY -0.00135 0.01538 0.00938 0.01844 0.00301 232 3PZ -0.00007 0.00075 0.00045 0.00303 0.00404 233 4XX 0.00000 -0.00018 -0.00008 -0.00032 -0.00003 234 4YY -0.00009 0.00171 0.00129 0.00014 0.00032 235 4ZZ 0.00000 -0.00030 -0.00012 -0.00053 0.00003 236 4XY -0.00005 0.00085 0.00002 0.00147 0.00017 237 4XZ -0.00000 0.00005 0.00000 0.00018 0.00018 238 4YZ -0.00001 0.00022 0.00015 0.00034 0.00063 239 29 H 1S 0.00000 -0.00012 -0.00000 -0.00043 -0.00003 240 2S 0.00014 -0.00252 -0.00012 -0.00699 -0.00061 241 30 H 1S 0.00000 -0.00014 -0.00020 -0.00018 -0.00010 242 2S 0.00015 -0.00236 -0.00297 -0.00167 -0.00321 243 31 H 1S 0.00000 -0.00014 -0.00017 -0.00030 -0.00001 244 2S 0.00015 -0.00245 -0.00224 -0.00450 -0.00108 245 32 H 1S 0.00000 -0.00013 -0.00002 -0.00043 -0.00004 246 2S 0.00014 -0.00250 -0.00008 -0.00732 -0.00061 247 33 H 1S 0.00000 -0.00013 -0.00027 -0.00007 -0.00014 248 2S 0.00014 -0.00237 -0.00366 -0.00044 -0.00392 249 34 H 1S 0.00000 -0.00013 -0.00032 -0.00015 -0.00001 250 2S 0.00014 -0.00233 -0.00480 -0.00240 -0.00086 21 22 23 24 25 21 3S 0.19617 22 3PX 0.00000 0.03025 23 3PY 0.00000 0.00000 0.01886 24 3PZ 0.00000 -0.00000 0.00000 0.13338 25 4XX -0.00089 0.00000 0.00000 0.00000 0.00103 26 4YY -0.00286 0.00000 0.00000 0.00000 -0.00019 27 4ZZ -0.00608 0.00000 0.00000 0.00000 0.00005 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 -0.00057 -0.00157 -0.00007 -0.00001 -0.00029 32 2S 0.01320 0.02264 0.00007 0.00011 0.00330 33 2PX 0.03178 0.00717 0.00168 0.00023 0.00074 34 2PY 0.00263 0.00174 0.01026 -0.00012 0.00053 35 2PZ -0.00006 0.00019 -0.00011 0.04819 0.00003 36 3S 0.01015 0.02269 -0.00003 -0.00014 0.00315 37 3PX 0.01868 0.00024 0.00140 0.00025 -0.00014 38 3PY 0.00230 0.00115 0.01414 -0.00017 0.00008 39 3PZ -0.00010 0.00021 -0.00013 0.08321 0.00003 40 4XX 0.00306 -0.00040 0.00007 0.00002 -0.00005 41 4YY -0.00201 -0.00065 0.00001 -0.00001 -0.00003 42 4ZZ -0.00081 -0.00067 -0.00002 -0.00001 -0.00005 43 4XY 0.00009 0.00003 0.00013 -0.00000 -0.00002 44 4XZ 0.00000 0.00000 -0.00000 0.00148 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00003 -0.00000 46 4 C 1S 0.00001 0.00002 -0.00000 0.00000 -0.00000 47 2S -0.00031 0.00014 -0.00005 -0.00002 0.00001 48 2PX -0.00263 -0.00021 0.00103 0.00016 0.00005 49 2PY 0.00033 -0.00020 -0.00023 -0.00005 0.00000 50 2PZ -0.00000 -0.00010 -0.00002 -0.00073 0.00000 51 3S -0.00086 -0.00076 -0.00026 -0.00013 0.00010 52 3PX -0.00661 -0.00098 0.00121 0.00112 0.00033 53 3PY 0.00079 -0.00126 -0.00036 0.00008 -0.00002 54 3PZ 0.00005 -0.00024 -0.00004 -0.00197 0.00001 55 4XX 0.00015 0.00020 0.00002 0.00003 0.00000 56 4YY -0.00011 -0.00006 -0.00001 0.00002 -0.00000 57 4ZZ 0.00006 -0.00000 -0.00000 -0.00002 -0.00000 58 4XY -0.00000 -0.00000 -0.00000 0.00002 0.00000 59 4XZ 0.00001 0.00002 0.00002 0.00019 0.00000 60 4YZ -0.00001 0.00000 -0.00000 0.00001 0.00000 61 5 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 62 2S 0.00002 -0.00000 -0.00002 -0.00004 -0.00000 63 2PX 0.00007 -0.00005 -0.00006 -0.00011 -0.00000 64 2PY 0.00002 0.00004 0.00000 -0.00001 -0.00000 65 2PZ 0.00001 -0.00000 -0.00001 0.00001 -0.00000 66 3S 0.00022 -0.00013 -0.00025 -0.00093 -0.00000 67 3PX 0.00029 -0.00056 -0.00027 -0.00037 -0.00001 68 3PY 0.00012 0.00025 0.00001 0.00005 0.00000 69 3PZ 0.00008 -0.00000 -0.00008 0.00026 -0.00000 70 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 71 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 73 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 75 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 76 6 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 77 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 78 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 79 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 80 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 81 3S -0.00000 -0.00000 0.00001 0.00001 0.00000 82 3PX -0.00002 -0.00001 0.00002 0.00001 0.00000 83 3PY -0.00001 -0.00001 0.00000 0.00000 0.00000 84 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 85 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 86 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 87 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 88 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 89 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 90 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 91 7 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 93 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 94 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 95 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 96 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 97 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 98 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 99 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 100 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 102 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 104 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 107 2S -0.00000 0.00000 0.00000 0.00000 0.00000 108 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 109 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 110 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 111 3S -0.00000 0.00000 0.00000 0.00000 0.00000 112 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 113 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 114 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 115 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 116 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 118 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 119 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 120 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 121 9 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 125 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 126 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 127 3PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 128 3PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 129 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 130 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 131 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 132 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 133 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 134 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 135 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 136 10 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 137 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 138 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 139 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 140 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 142 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 143 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 144 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 145 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 146 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 147 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 148 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 149 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 150 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 157 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 158 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 159 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 168 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 170 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 172 15 O 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 173 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 174 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 175 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 176 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 177 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 178 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 179 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 180 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 181 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 182 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 183 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 184 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 185 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 186 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 187 16 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 188 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 189 17 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 190 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 191 18 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 192 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 193 19 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 195 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 196 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 197 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 198 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 199 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 200 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 201 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 202 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 203 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 204 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 205 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 206 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 207 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 208 20 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 209 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 210 21 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 211 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 213 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 214 23 H 1S 0.00000 -0.00002 0.00000 0.00000 -0.00000 215 2S 0.00010 -0.00007 0.00018 0.00074 -0.00000 216 24 H 1S 0.00000 0.00001 0.00000 -0.00000 0.00000 217 2S -0.00003 0.00018 0.00000 0.00002 0.00000 218 25 H 1S 0.00010 0.00006 0.00000 -0.00021 -0.00000 219 2S 0.00109 0.00062 0.00004 -0.00191 -0.00001 220 26 H 1S -0.00060 0.00007 -0.00012 -0.00004 0.00000 221 2S -0.00350 -0.00062 -0.00055 0.00004 -0.00004 222 27 H 1S -0.00361 -0.00047 0.00178 0.00007 0.00001 223 2S -0.01245 -0.00366 0.00190 0.00015 -0.00033 224 28 C 1S -0.00005 -0.00024 -0.00010 0.00000 0.00001 225 2S 0.00354 0.00255 0.00763 0.00039 -0.00030 226 2PX 0.00508 -0.00335 0.00222 0.00005 -0.00009 227 2PY 0.02296 0.00426 0.00421 0.00060 -0.00057 228 2PZ 0.00133 0.00010 0.00074 0.00071 -0.00004 229 3S -0.00239 0.00247 0.01131 0.00065 -0.00119 230 3PX 0.00552 -0.00413 0.00213 -0.00001 -0.00054 231 3PY 0.01687 0.00273 0.00062 0.00074 -0.00075 232 3PZ 0.00095 0.00001 0.00090 0.00537 -0.00004 233 4XX -0.00044 -0.00024 -0.00007 -0.00005 0.00001 234 4YY 0.00196 0.00070 -0.00018 0.00029 -0.00007 235 4ZZ -0.00085 -0.00025 -0.00012 -0.00011 0.00001 236 4XY 0.00040 0.00008 0.00005 0.00003 0.00000 237 4XZ 0.00002 0.00001 0.00004 0.00025 0.00000 238 4YZ 0.00009 0.00003 0.00004 0.00065 -0.00001 239 29 H 1S -0.00187 -0.00008 -0.00086 -0.00007 -0.00000 240 2S -0.00704 -0.00021 -0.00348 -0.00044 -0.00013 241 30 H 1S -0.00183 -0.00130 0.00020 -0.00149 0.00002 242 2S -0.00586 -0.00438 0.00141 -0.00902 0.00039 243 31 H 1S -0.00164 -0.00120 -0.00077 -0.00075 0.00001 244 2S -0.00505 -0.00319 -0.00468 -0.00422 0.00024 245 32 H 1S -0.00264 0.00038 -0.00221 -0.00013 -0.00001 246 2S -0.00826 0.00053 -0.00571 -0.00044 -0.00034 247 33 H 1S -0.00109 -0.00224 0.00052 -0.00190 0.00003 248 2S -0.00309 -0.00574 0.00208 -0.01081 0.00028 249 34 H 1S -0.00115 -0.00287 -0.00006 -0.00060 0.00005 250 2S -0.00364 -0.00845 -0.00195 -0.00349 0.00052 26 27 28 29 30 26 4YY 0.00135 27 4ZZ 0.00011 0.00085 28 4XY -0.00000 0.00000 0.00143 29 4XZ -0.00000 0.00000 -0.00000 0.00106 30 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00044 31 3 C 1S 0.00001 0.00000 -0.00004 -0.00000 -0.00000 32 2S -0.00082 -0.00046 0.00034 0.00001 0.00000 33 2PX -0.00169 -0.00097 0.00065 0.00002 0.00001 34 2PY 0.00007 -0.00005 0.00181 -0.00000 0.00000 35 2PZ -0.00000 0.00000 -0.00000 0.00296 0.00012 36 3S -0.00193 -0.00095 0.00014 -0.00000 0.00000 37 3PX -0.00111 -0.00075 0.00000 0.00001 0.00000 38 3PY -0.00009 -0.00005 0.00047 -0.00001 0.00000 39 3PZ -0.00002 -0.00001 -0.00000 0.00184 0.00008 40 4XX -0.00005 -0.00005 -0.00008 0.00001 -0.00000 41 4YY 0.00004 0.00001 -0.00002 -0.00000 0.00000 42 4ZZ 0.00001 0.00002 -0.00001 0.00000 0.00000 43 4XY -0.00000 -0.00001 -0.00021 -0.00000 0.00000 44 4XZ -0.00000 0.00000 -0.00000 0.00014 0.00001 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 47 2S -0.00000 0.00000 0.00001 0.00000 0.00000 48 2PX -0.00000 0.00000 0.00003 0.00001 0.00000 49 2PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S -0.00002 0.00002 0.00009 0.00001 -0.00000 52 3PX -0.00005 0.00003 0.00015 0.00005 -0.00000 53 3PY 0.00001 0.00001 -0.00005 0.00001 -0.00000 54 3PZ 0.00001 -0.00000 0.00001 -0.00000 0.00000 55 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 56 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 57 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 58 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 59 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 62 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 63 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 64 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 65 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 66 3S -0.00000 0.00000 -0.00000 -0.00001 0.00000 67 3PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 68 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 69 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 70 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 71 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 72 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 74 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 78 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 80 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 81 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 82 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 83 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 84 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 85 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 86 4YY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 87 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 88 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 89 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 90 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 93 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 95 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 97 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 98 3PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 99 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 112 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 113 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 114 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 115 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 127 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 128 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 129 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 130 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 142 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 143 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 144 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 145 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 146 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 147 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 3S 0.00000 0.00000 0.00000 0.00000 0.00000 157 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2S 0.00000 0.00000 0.00000 0.00000 0.00000 168 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2S 0.00000 0.00000 0.00000 0.00000 0.00000 170 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 0.00000 0.00000 0.00000 0.00000 172 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 178 3PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 179 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 180 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 181 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 182 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 183 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 192 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 193 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 195 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 196 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 197 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 198 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 199 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 200 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 201 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 202 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 203 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 204 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 205 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 206 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 207 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 210 21 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 211 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 212 22 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 213 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 214 23 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 215 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 216 24 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 217 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 218 25 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 2S -0.00000 -0.00000 -0.00000 -0.00001 0.00000 220 26 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 221 2S 0.00006 0.00001 -0.00004 -0.00001 0.00000 222 27 H 1S 0.00003 0.00000 0.00014 0.00001 0.00000 223 2S 0.00063 0.00008 0.00048 0.00003 0.00001 224 28 C 1S -0.00009 0.00000 -0.00006 -0.00000 -0.00001 225 2S 0.00174 -0.00016 0.00089 0.00006 0.00018 226 2PX 0.00131 -0.00010 0.00002 0.00000 0.00015 227 2PY -0.00006 -0.00040 0.00156 0.00021 0.00027 228 2PZ 0.00029 0.00002 0.00019 0.00020 0.00065 229 3S 0.00307 -0.00031 0.00072 0.00005 0.00010 230 3PX 0.00096 -0.00016 0.00009 0.00000 0.00004 231 3PY 0.00022 -0.00033 0.00027 0.00006 0.00003 232 3PZ 0.00022 -0.00010 0.00005 0.00008 0.00045 233 4XX -0.00004 0.00000 -0.00000 0.00000 -0.00000 234 4YY 0.00006 -0.00003 -0.00007 -0.00002 0.00001 235 4ZZ -0.00003 0.00001 0.00001 -0.00000 0.00000 236 4XY -0.00008 -0.00002 0.00001 -0.00000 -0.00002 237 4XZ -0.00003 -0.00000 0.00000 -0.00000 -0.00003 238 4YZ 0.00001 0.00000 -0.00003 -0.00002 -0.00004 239 29 H 1S 0.00008 0.00000 0.00000 0.00000 0.00001 240 2S 0.00045 0.00008 0.00003 0.00000 0.00004 241 30 H 1S -0.00002 0.00001 0.00002 0.00004 0.00003 242 2S -0.00042 0.00016 0.00002 0.00022 0.00011 243 31 H 1S 0.00002 -0.00000 0.00005 0.00001 0.00003 244 2S -0.00005 -0.00005 0.00015 0.00009 0.00012 245 32 H 1S 0.00010 0.00000 0.00000 -0.00000 0.00001 246 2S 0.00081 0.00006 -0.00008 -0.00001 0.00004 247 33 H 1S -0.00001 0.00002 -0.00000 0.00006 0.00001 248 2S -0.00029 0.00023 -0.00009 0.00032 0.00001 249 34 H 1S -0.00000 -0.00000 0.00004 0.00002 0.00001 250 2S -0.00016 -0.00011 0.00005 0.00012 0.00004 31 32 33 34 35 31 3 C 1S 2.05345 32 2S -0.01387 0.32526 33 2PX 0.00000 0.00000 0.41430 34 2PY 0.00000 0.00000 -0.00000 0.39862 35 2PZ 0.00000 0.00000 0.00000 -0.00000 0.34932 36 3S -0.03057 0.21085 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.07785 -0.00000 -0.00000 38 3PY 0.00000 0.00000 -0.00000 0.07645 0.00000 39 3PZ 0.00000 0.00000 -0.00000 0.00000 0.13563 40 4XX -0.00135 -0.00176 0.00000 0.00000 0.00000 41 4YY -0.00149 -0.00027 0.00000 0.00000 0.00000 42 4ZZ -0.00092 -0.01065 0.00000 0.00000 0.00000 43 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 44 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00022 -0.00076 -0.00058 -0.00007 47 2S -0.00020 0.00566 0.01456 0.01100 0.00132 48 2PX -0.00090 0.01758 0.02089 0.02512 0.00363 49 2PY -0.00057 0.01111 0.02244 0.00631 0.00253 50 2PZ -0.00009 0.00183 0.00364 0.00265 0.00110 51 3S -0.00037 0.00786 0.01461 0.01691 0.00170 52 3PX -0.00128 0.01724 0.00308 0.01682 0.00361 53 3PY -0.00068 0.00742 0.01322 -0.00184 0.00219 54 3PZ -0.00019 0.00179 0.00181 0.00139 0.00131 55 4XX -0.00004 0.00087 -0.00053 0.00148 0.00022 56 4YY -0.00001 0.00015 0.00074 -0.00055 0.00004 57 4ZZ 0.00000 -0.00035 -0.00047 -0.00026 0.00002 58 4XY -0.00009 0.00151 0.00113 0.00036 0.00034 59 4XZ -0.00001 0.00018 0.00017 0.00035 0.00053 60 4YZ -0.00001 0.00013 0.00027 0.00002 0.00027 61 5 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00003 -0.00011 -0.00003 -0.00002 63 2PX 0.00000 -0.00011 -0.00023 -0.00012 -0.00001 64 2PY 0.00000 -0.00004 -0.00010 0.00001 0.00001 65 2PZ 0.00000 -0.00001 -0.00006 -0.00002 0.00000 66 3S 0.00004 -0.00084 -0.00187 -0.00039 -0.00188 67 3PX 0.00015 -0.00178 -0.00020 -0.00117 0.00036 68 3PY 0.00004 -0.00037 -0.00075 0.00009 0.00042 69 3PZ 0.00001 -0.00006 -0.00066 -0.00013 0.00010 70 4XX -0.00000 0.00001 0.00004 0.00002 0.00001 71 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 72 4ZZ 0.00000 -0.00000 -0.00001 -0.00000 0.00000 73 4XY -0.00000 0.00001 0.00003 0.00001 0.00000 74 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 75 4YZ -0.00000 0.00000 0.00001 0.00000 -0.00000 76 6 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 77 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 78 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 79 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 80 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 81 3S -0.00000 0.00001 0.00005 0.00002 0.00001 82 3PX -0.00000 0.00004 0.00008 0.00004 0.00001 83 3PY 0.00000 0.00000 0.00004 0.00001 0.00001 84 3PZ -0.00000 0.00000 -0.00001 -0.00000 0.00000 85 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 86 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 87 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 88 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 89 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 90 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 93 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 94 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 97 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 98 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 99 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 100 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 101 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 105 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 109 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 111 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 112 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 114 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 115 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 127 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 128 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 129 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 130 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 142 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 143 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 144 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 145 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 146 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 147 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 157 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 158 3PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 159 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 168 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 170 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 172 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 178 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 179 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 180 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 181 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 182 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 183 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 190 2S -0.00000 0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 192 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 193 19 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 194 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 195 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 196 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 197 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 198 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 199 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 200 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 201 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 202 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 203 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 204 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 205 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 206 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 207 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 209 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 210 21 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 212 22 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 213 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 23 H 1S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 215 2S 0.00000 -0.00015 -0.00027 -0.00006 0.00041 216 24 H 1S 0.00000 -0.00000 -0.00002 -0.00000 -0.00000 217 2S 0.00001 -0.00027 -0.00033 -0.00004 0.00019 218 25 H 1S 0.00000 -0.00017 -0.00037 -0.00003 -0.00011 219 2S 0.00016 -0.00269 -0.00451 -0.00020 -0.00248 220 26 H 1S 0.00000 -0.00014 -0.00006 -0.00040 -0.00005 221 2S 0.00016 -0.00303 -0.00039 -0.00723 -0.00067 222 27 H 1S -0.00190 0.03032 0.00807 0.08427 0.00526 223 2S -0.00095 0.01098 0.00496 0.05644 0.00364 224 28 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 -0.00005 -0.00012 -0.00007 -0.00000 226 2PX 0.00000 -0.00014 -0.00021 -0.00015 0.00000 227 2PY 0.00000 -0.00010 -0.00027 -0.00008 -0.00001 228 2PZ 0.00000 -0.00000 -0.00001 -0.00001 -0.00003 229 3S 0.00005 -0.00130 -0.00190 -0.00244 -0.00009 230 3PX 0.00008 -0.00182 -0.00065 -0.00157 -0.00006 231 3PY 0.00007 -0.00128 -0.00306 -0.00127 -0.00008 232 3PZ 0.00000 -0.00004 -0.00013 -0.00008 0.00010 233 4XX -0.00000 0.00001 0.00003 0.00002 -0.00000 234 4YY 0.00000 -0.00000 -0.00001 -0.00001 0.00000 235 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY -0.00000 0.00001 0.00005 0.00001 0.00000 237 4XZ -0.00000 0.00000 0.00000 0.00000 0.00001 238 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00001 239 29 H 1S 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 240 2S 0.00002 -0.00034 -0.00058 -0.00030 -0.00001 241 30 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 242 2S -0.00000 0.00012 0.00019 0.00021 -0.00032 243 31 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 244 2S -0.00000 0.00014 0.00031 -0.00004 -0.00017 245 32 H 1S 0.00000 -0.00001 -0.00003 -0.00002 -0.00000 246 2S 0.00002 -0.00052 -0.00096 0.00032 -0.00000 247 33 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 248 2S -0.00000 0.00015 0.00044 0.00006 -0.00041 249 34 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 250 2S -0.00000 0.00014 0.00029 -0.00006 -0.00014 36 37 38 39 40 36 3S 0.22875 37 3PX 0.00000 0.05468 38 3PY 0.00000 0.00000 0.06056 39 3PZ 0.00000 -0.00000 0.00000 0.17002 40 4XX -0.00128 0.00000 0.00000 0.00000 0.00110 41 4YY 0.00043 0.00000 0.00000 0.00000 -0.00026 42 4ZZ -0.00687 0.00000 0.00000 0.00000 0.00005 43 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00036 -0.00042 -0.00021 -0.00001 -0.00003 47 2S -0.00052 0.00946 0.00527 0.00060 0.00069 48 2PX 0.01497 0.00232 0.00614 0.00107 -0.00095 49 2PY 0.01012 0.01012 -0.00135 0.00096 0.00127 50 2PZ 0.00149 0.00155 0.00061 -0.00040 0.00013 51 3S -0.01115 0.00352 0.00481 0.00009 0.00159 52 3PX 0.01365 -0.00194 0.00432 0.00238 -0.00062 53 3PY 0.00538 0.00633 -0.00250 0.00155 0.00109 54 3PZ 0.00129 0.00088 0.00024 -0.00101 0.00012 55 4XX 0.00135 -0.00023 0.00078 0.00019 0.00003 56 4YY 0.00020 0.00049 -0.00066 0.00010 -0.00015 57 4ZZ -0.00088 -0.00061 -0.00008 -0.00015 0.00002 58 4XY 0.00072 0.00007 -0.00000 0.00012 -0.00000 59 4XZ 0.00009 0.00001 0.00010 0.00073 0.00001 60 4YZ 0.00004 0.00006 -0.00000 0.00030 -0.00005 61 5 C 1S 0.00005 0.00004 0.00002 0.00005 -0.00000 62 2S -0.00076 -0.00116 -0.00030 -0.00072 0.00001 63 2PX -0.00153 -0.00153 -0.00117 -0.00073 0.00003 64 2PY -0.00109 -0.00012 0.00004 0.00004 0.00001 65 2PZ -0.00002 -0.00011 0.00003 0.00013 0.00002 66 3S -0.00292 -0.00448 -0.00208 -0.00780 0.00012 67 3PX -0.00432 -0.00100 -0.00190 -0.00029 0.00015 68 3PY -0.00218 -0.00019 -0.00034 0.00105 0.00007 69 3PZ 0.00021 -0.00043 -0.00005 0.00147 0.00012 70 4XX 0.00013 0.00019 0.00007 0.00009 -0.00000 71 4YY -0.00001 0.00005 0.00001 0.00002 -0.00000 72 4ZZ -0.00005 -0.00013 -0.00004 -0.00000 0.00000 73 4XY 0.00008 0.00010 0.00001 0.00003 0.00000 74 4XZ -0.00004 0.00001 -0.00000 -0.00000 0.00000 75 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 76 6 C 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 77 2S 0.00001 0.00003 0.00001 0.00000 -0.00000 78 2PX 0.00006 0.00006 0.00006 -0.00000 -0.00000 79 2PY 0.00002 0.00002 0.00000 0.00000 -0.00000 80 2PZ 0.00001 0.00000 0.00001 0.00001 0.00000 81 3S 0.00021 0.00043 0.00021 0.00014 -0.00000 82 3PX 0.00062 0.00048 0.00046 0.00012 -0.00000 83 3PY 0.00010 0.00020 0.00007 0.00011 -0.00000 84 3PZ 0.00009 0.00000 0.00006 0.00011 -0.00000 85 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 86 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 87 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 88 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 89 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 90 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 92 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 93 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 96 3S -0.00000 -0.00001 -0.00001 -0.00000 0.00000 97 3PX 0.00001 0.00001 -0.00000 -0.00001 -0.00000 98 3PY 0.00001 0.00001 0.00000 -0.00000 -0.00000 99 3PZ 0.00001 0.00001 0.00001 -0.00000 -0.00000 100 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 101 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 102 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 106 8 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 107 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 108 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 109 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 110 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 111 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 112 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 113 3PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 114 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 115 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 121 9 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 122 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 123 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 124 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 125 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 126 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 127 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 128 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 129 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 130 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 131 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 135 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 136 10 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 137 2S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 139 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 140 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 141 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 142 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 143 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 145 4XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 146 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 147 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 148 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 149 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 151 11 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 152 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 153 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 154 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 155 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 156 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 157 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 158 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 159 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 160 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 162 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 166 12 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 167 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 168 13 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 169 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 170 14 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 171 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 172 15 O 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 173 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 174 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 175 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 176 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 177 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 178 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 179 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 180 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 181 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 182 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 183 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 184 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 185 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 186 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 189 17 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 191 18 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 192 2S -0.00001 -0.00002 -0.00000 -0.00000 0.00000 193 19 C 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 194 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 195 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 196 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 197 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 3S -0.00002 0.00000 0.00003 0.00000 0.00000 199 3PX 0.00002 0.00003 0.00001 -0.00001 0.00000 200 3PY -0.00004 -0.00001 0.00001 0.00000 0.00000 201 3PZ 0.00001 0.00001 0.00001 0.00000 0.00000 202 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 203 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 204 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 205 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 206 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 208 20 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 209 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00001 0.00001 -0.00005 -0.00000 0.00000 212 22 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 213 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 23 H 1S -0.00006 -0.00031 -0.00032 -0.00016 -0.00000 215 2S 0.00043 -0.00091 0.00005 0.00230 -0.00001 216 24 H 1S -0.00051 -0.00016 0.00001 -0.00003 -0.00000 217 2S -0.00251 0.00012 -0.00003 0.00083 -0.00007 218 25 H 1S -0.00179 -0.00155 0.00028 -0.00199 0.00006 219 2S -0.00356 -0.00484 0.00119 -0.00817 0.00038 220 26 H 1S -0.00226 -0.00062 -0.00254 -0.00054 -0.00002 221 2S -0.00808 -0.00072 -0.00909 -0.00109 -0.00047 222 27 H 1S 0.03643 0.00613 0.03765 0.00219 -0.00130 223 2S 0.01614 0.00594 0.03370 0.00216 -0.00315 224 28 C 1S 0.00004 0.00007 -0.00002 -0.00000 0.00000 225 2S -0.00087 -0.00091 -0.00015 0.00001 -0.00000 226 2PX -0.00180 -0.00134 0.00108 0.00013 0.00000 227 2PY -0.00095 -0.00362 0.00116 0.00001 -0.00001 228 2PZ -0.00005 -0.00011 -0.00008 -0.00098 -0.00000 229 3S -0.00371 -0.00516 -0.00101 0.00003 -0.00015 230 3PX -0.00465 -0.00167 0.00192 0.00015 -0.00001 231 3PY -0.00264 -0.00806 0.00070 0.00008 -0.00026 232 3PZ -0.00011 -0.00033 -0.00003 -0.00068 -0.00001 233 4XX 0.00013 0.00016 0.00008 -0.00002 0.00000 234 4YY -0.00010 -0.00008 -0.00005 0.00005 0.00000 235 4ZZ 0.00005 0.00005 -0.00002 -0.00001 -0.00000 236 4XY 0.00007 0.00004 0.00006 0.00002 0.00000 237 4XZ 0.00001 -0.00001 0.00003 0.00017 -0.00000 238 4YZ -0.00000 -0.00001 0.00001 0.00011 0.00000 239 29 H 1S -0.00034 0.00017 -0.00061 -0.00003 0.00000 240 2S -0.00181 0.00007 -0.00253 -0.00018 0.00000 241 30 H 1S 0.00008 0.00009 0.00005 -0.00024 -0.00000 242 2S 0.00112 0.00062 0.00100 -0.00257 -0.00000 243 31 H 1S 0.00005 0.00016 -0.00019 -0.00011 -0.00000 244 2S 0.00066 0.00155 -0.00155 -0.00125 0.00000 245 32 H 1S -0.00051 0.00063 -0.00058 -0.00005 -0.00000 246 2S -0.00195 -0.00004 -0.00114 -0.00016 -0.00006 247 33 H 1S 0.00006 -0.00003 0.00002 -0.00029 -0.00000 248 2S 0.00083 0.00056 0.00034 -0.00315 -0.00001 249 34 H 1S 0.00008 -0.00017 -0.00010 -0.00008 -0.00000 250 2S 0.00125 -0.00083 -0.00084 -0.00092 -0.00002 41 42 43 44 45 41 4YY 0.00162 42 4ZZ 0.00005 0.00086 43 4XY -0.00000 0.00000 0.00118 44 4XZ -0.00000 0.00000 -0.00000 0.00089 45 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00029 46 4 C 1S -0.00001 0.00000 -0.00009 -0.00001 -0.00001 47 2S 0.00007 -0.00015 0.00144 0.00018 0.00007 48 2PX 0.00067 -0.00030 0.00126 0.00010 0.00025 49 2PY -0.00062 -0.00016 0.00035 0.00033 -0.00003 50 2PZ 0.00001 0.00002 0.00032 0.00051 0.00021 51 3S -0.00052 -0.00034 0.00101 0.00012 0.00001 52 3PX 0.00011 -0.00041 0.00013 0.00000 0.00004 53 3PY -0.00088 -0.00011 -0.00004 0.00006 0.00000 54 3PZ -0.00000 -0.00012 0.00007 0.00035 0.00015 55 4XX -0.00012 -0.00002 0.00000 0.00000 -0.00001 56 4YY 0.00005 -0.00000 -0.00001 -0.00001 0.00001 57 4ZZ -0.00002 0.00001 -0.00003 -0.00000 0.00000 58 4XY -0.00001 -0.00004 0.00003 -0.00002 0.00000 59 4XZ -0.00002 -0.00000 -0.00001 -0.00007 -0.00001 60 4YZ 0.00002 0.00000 0.00000 0.00000 -0.00001 61 5 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 62 2S -0.00000 -0.00000 0.00000 0.00001 0.00000 63 2PX -0.00000 -0.00000 0.00001 0.00002 0.00001 64 2PY -0.00000 0.00000 0.00000 0.00001 0.00000 65 2PZ -0.00000 -0.00000 0.00001 0.00000 0.00000 66 3S -0.00006 -0.00001 0.00003 0.00011 0.00001 67 3PX 0.00000 -0.00000 0.00004 0.00009 0.00004 68 3PY -0.00003 0.00001 0.00000 0.00001 0.00000 69 3PZ -0.00001 -0.00003 0.00002 -0.00002 -0.00000 70 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 71 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 72 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 73 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 74 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 75 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 76 6 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 78 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 79 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 80 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 81 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 82 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 83 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 84 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 85 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 86 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 87 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 88 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 89 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 90 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 93 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 95 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 96 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 97 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 98 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 99 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 100 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 101 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 103 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 104 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 105 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 108 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 110 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 111 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 112 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 113 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 114 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 115 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 127 3PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 128 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 129 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 130 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 142 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 143 3PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 144 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 145 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 146 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 147 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 157 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 158 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 159 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 168 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 170 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 172 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 178 3PX 0.00000 0.00000 0.00000 -0.00000 0.00000 179 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 180 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 181 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 182 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 183 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 191 18 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 192 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 193 19 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 195 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 196 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 197 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 198 3S -0.00000 0.00000 0.00000 0.00000 0.00000 199 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 200 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 201 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 202 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 203 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 204 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 205 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 206 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 207 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 208 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 209 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 21 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 211 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 212 22 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 214 23 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 215 2S -0.00004 0.00003 -0.00002 -0.00003 0.00001 216 24 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 217 2S 0.00004 0.00002 -0.00000 0.00001 -0.00000 218 25 H 1S -0.00001 0.00001 -0.00000 0.00008 0.00000 219 2S -0.00035 0.00023 -0.00007 0.00030 -0.00000 220 26 H 1S 0.00010 0.00000 0.00001 0.00000 0.00002 221 2S 0.00102 0.00009 -0.00005 -0.00001 0.00010 222 27 H 1S 0.00577 -0.00067 0.00132 0.00011 0.00075 223 2S 0.00588 -0.00044 0.00033 0.00003 0.00014 224 28 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 225 2S 0.00001 0.00000 0.00001 0.00000 0.00000 226 2PX 0.00001 -0.00000 0.00004 0.00000 0.00000 227 2PY 0.00001 0.00000 0.00004 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S 0.00024 0.00002 0.00021 0.00001 0.00000 230 3PX 0.00018 -0.00000 0.00020 0.00001 0.00000 231 3PY 0.00029 0.00002 0.00017 0.00002 0.00001 232 3PZ 0.00002 0.00000 0.00001 0.00001 0.00000 233 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 235 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 236 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 237 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 240 2S 0.00003 0.00001 -0.00004 -0.00000 0.00000 241 30 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 242 2S -0.00001 0.00000 -0.00000 -0.00001 -0.00000 243 31 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 244 2S -0.00001 -0.00000 -0.00001 -0.00000 0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S 0.00010 0.00000 -0.00004 -0.00001 0.00001 247 33 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 2S -0.00000 -0.00000 -0.00000 -0.00002 0.00000 249 34 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 250 2S 0.00000 -0.00000 -0.00001 -0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05114 47 2S -0.01168 0.30496 48 2PX 0.00000 0.00000 0.39420 49 2PY 0.00000 0.00000 -0.00000 0.40234 50 2PZ 0.00000 0.00000 0.00000 -0.00000 0.38601 51 3S -0.03557 0.23509 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.10542 0.00000 0.00000 53 3PY 0.00000 0.00000 -0.00000 0.10262 -0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.09865 55 4XX -0.00127 -0.00302 0.00000 0.00000 0.00000 56 4YY -0.00136 -0.00105 0.00000 0.00000 0.00000 57 4ZZ -0.00130 -0.00245 0.00000 0.00000 0.00000 58 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 59 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00013 -0.00039 -0.00002 -0.00066 62 2S -0.00012 0.00329 0.00837 0.00040 0.01408 63 2PX -0.00038 0.00826 0.00615 0.00055 0.02220 64 2PY -0.00002 0.00035 0.00051 0.00021 0.00098 65 2PZ -0.00066 0.01418 0.02221 0.00112 0.02391 66 3S 0.00025 0.00135 0.00866 0.00054 0.01880 67 3PX -0.00042 0.00628 -0.00126 0.00032 0.01517 68 3PY 0.00000 0.00008 0.00023 0.00122 0.00046 69 3PZ -0.00087 0.01252 0.01346 0.00050 0.00672 70 4XX -0.00001 0.00020 -0.00044 0.00000 0.00059 71 4YY 0.00000 -0.00022 -0.00025 0.00001 -0.00035 72 4ZZ -0.00003 0.00071 0.00146 0.00002 -0.00065 73 4XY -0.00000 0.00004 -0.00001 0.00037 0.00011 74 4XZ -0.00007 0.00128 0.00029 0.00014 0.00127 75 4YZ -0.00000 0.00007 0.00017 0.00057 0.00002 76 6 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00002 -0.00011 -0.00002 -0.00001 78 2PX 0.00000 -0.00009 -0.00026 -0.00006 -0.00006 79 2PY 0.00000 -0.00002 -0.00009 -0.00000 -0.00001 80 2PZ 0.00000 -0.00001 0.00001 0.00001 0.00001 81 3S 0.00004 -0.00047 -0.00136 -0.00070 0.00004 82 3PX 0.00008 -0.00152 -0.00185 -0.00104 -0.00060 83 3PY 0.00000 -0.00003 -0.00061 0.00000 0.00017 84 3PZ 0.00004 -0.00049 -0.00042 0.00022 0.00004 85 4XX -0.00000 0.00001 0.00003 0.00001 0.00001 86 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 87 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 88 4XY -0.00000 0.00000 0.00001 0.00000 0.00000 89 4XZ -0.00000 0.00001 0.00002 0.00000 0.00000 90 4YZ -0.00000 0.00000 0.00001 0.00000 0.00000 91 7 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 92 2S -0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 94 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 95 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 96 3S -0.00000 0.00002 0.00010 -0.00000 0.00000 97 3PX 0.00000 -0.00009 -0.00026 -0.00000 -0.00006 98 3PY 0.00000 -0.00001 -0.00004 0.00000 -0.00000 99 3PZ 0.00000 -0.00005 -0.00015 -0.00001 0.00003 100 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 101 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 102 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 103 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 104 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 105 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 108 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 110 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 111 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 112 3PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 113 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 114 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 115 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 116 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 118 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 119 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 120 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 126 3S -0.00000 0.00000 0.00000 0.00000 0.00000 127 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 128 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 129 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 130 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 131 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 132 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 133 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 134 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 135 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 136 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 139 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 140 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 141 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 142 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 143 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 144 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 145 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 146 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 147 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 148 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 149 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 150 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 158 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 159 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 168 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 170 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 172 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 174 2PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 175 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 176 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 177 3S -0.00000 0.00000 0.00000 0.00000 0.00000 178 3PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 179 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 180 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 181 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 182 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 183 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 184 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 185 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 186 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 187 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 189 17 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 190 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 191 18 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 192 2S -0.00000 0.00000 0.00003 -0.00000 0.00000 193 19 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 194 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 195 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 196 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 198 3S 0.00000 -0.00000 0.00000 -0.00009 0.00004 199 3PX 0.00000 -0.00005 -0.00003 -0.00016 0.00003 200 3PY -0.00000 0.00003 -0.00003 0.00023 -0.00002 201 3PZ 0.00000 -0.00005 -0.00004 -0.00014 0.00001 202 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 203 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 204 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 205 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 206 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 207 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 208 20 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 209 2S -0.00000 0.00000 -0.00000 0.00001 -0.00000 210 21 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 211 2S -0.00000 0.00007 0.00010 0.00014 0.00000 212 22 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 -0.00000 -0.00000 0.00001 -0.00001 214 23 H 1S 0.00000 -0.00013 0.00000 -0.00006 -0.00041 215 2S 0.00015 -0.00238 0.00008 -0.00111 -0.00710 216 24 H 1S 0.00000 -0.00013 -0.00019 -0.00008 -0.00023 217 2S 0.00012 -0.00209 -0.00240 -0.00161 -0.00313 218 25 H 1S -0.00165 0.02722 0.02829 0.01593 0.05266 219 2S -0.00045 0.00942 0.01726 0.01069 0.03412 220 26 H 1S -0.00171 0.02747 0.01141 0.07763 0.00965 221 2S -0.00027 0.00800 0.00695 0.04941 0.00596 222 27 H 1S 0.00000 -0.00017 -0.00011 -0.00048 -0.00004 223 2S 0.00021 -0.00342 -0.00172 -0.00761 -0.00078 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 225 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 226 2PX 0.00000 -0.00000 -0.00002 -0.00000 0.00000 227 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 229 3S 0.00001 -0.00013 -0.00067 0.00002 -0.00000 230 3PX 0.00002 -0.00036 -0.00114 -0.00003 -0.00000 231 3PY -0.00000 0.00002 0.00002 -0.00010 -0.00000 232 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 234 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 235 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 237 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 238 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 239 29 H 1S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 240 2S -0.00001 0.00012 0.00060 -0.00006 -0.00001 241 30 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 242 2S -0.00000 0.00000 0.00001 0.00000 0.00000 243 31 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 244 2S -0.00000 0.00000 0.00001 0.00000 0.00000 245 32 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 246 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 247 33 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 34 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 250 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 51 52 53 54 55 51 3S 0.33019 52 3PX 0.00000 0.09287 53 3PY 0.00000 0.00000 0.08603 54 3PZ 0.00000 0.00000 -0.00000 0.08045 55 4XX -0.00182 0.00000 0.00000 0.00000 0.00080 56 4YY -0.00060 0.00000 0.00000 0.00000 -0.00008 57 4ZZ -0.00172 0.00000 0.00000 0.00000 -0.00001 58 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 60 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00031 -0.00034 -0.00001 -0.00085 -0.00001 62 2S 0.00116 0.00603 0.00014 0.01181 0.00020 63 2PX 0.00873 -0.00124 0.00031 0.01364 -0.00042 64 2PY 0.00011 0.00037 0.00021 0.00033 0.00002 65 2PZ 0.01728 0.01479 0.00092 0.00635 0.00059 66 3S -0.00830 0.00300 -0.00002 0.01579 0.00079 67 3PX 0.00456 -0.00470 0.00019 0.01130 -0.00062 68 3PY -0.00062 0.00020 0.00039 0.00010 0.00005 69 3PZ 0.01303 0.01064 0.00057 -0.00281 0.00074 70 4XX 0.00078 -0.00067 0.00002 0.00079 0.00000 71 4YY -0.00093 -0.00040 -0.00003 -0.00086 0.00001 72 4ZZ 0.00084 0.00120 0.00004 -0.00057 -0.00007 73 4XY 0.00005 -0.00000 0.00024 0.00004 0.00001 74 4XZ 0.00092 -0.00002 0.00003 0.00016 -0.00001 75 4YZ 0.00006 0.00003 0.00040 0.00000 -0.00001 76 6 C 1S 0.00003 0.00015 0.00003 0.00001 -0.00000 77 2S -0.00058 -0.00184 -0.00030 -0.00011 0.00001 78 2PX -0.00160 -0.00068 -0.00053 -0.00079 0.00004 79 2PY -0.00028 -0.00128 0.00001 0.00004 0.00001 80 2PZ -0.00148 0.00005 0.00042 0.00005 0.00000 81 3S -0.00113 -0.00353 -0.00166 0.00010 0.00012 82 3PX -0.00534 -0.00201 -0.00128 -0.00140 0.00024 83 3PY -0.00048 -0.00104 -0.00019 0.00026 0.00002 84 3PZ -0.00580 -0.00095 0.00105 0.00081 0.00007 85 4XX 0.00011 0.00016 0.00004 0.00012 -0.00000 86 4YY -0.00003 -0.00002 -0.00001 -0.00001 0.00000 87 4ZZ -0.00002 -0.00001 0.00000 -0.00003 -0.00000 88 4XY 0.00001 0.00002 0.00000 -0.00001 0.00000 89 4XZ 0.00009 0.00012 0.00001 -0.00002 -0.00000 90 4YZ 0.00000 0.00002 0.00000 -0.00000 0.00000 91 7 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 92 2S 0.00001 -0.00005 0.00001 0.00003 -0.00000 93 2PX -0.00004 -0.00027 0.00003 0.00005 -0.00000 94 2PY -0.00001 -0.00002 -0.00000 0.00000 0.00000 95 2PZ -0.00010 -0.00010 0.00001 0.00003 0.00000 96 3S 0.00004 0.00027 0.00001 0.00011 -0.00001 97 3PX -0.00098 -0.00193 0.00010 -0.00014 0.00001 98 3PY -0.00008 -0.00019 -0.00004 0.00000 0.00000 99 3PZ -0.00099 -0.00065 0.00002 0.00038 0.00001 100 4XX -0.00001 -0.00002 -0.00000 -0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 102 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 103 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 106 8 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 107 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 108 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 109 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 110 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 111 3S -0.00001 -0.00003 -0.00000 -0.00000 0.00000 112 3PX -0.00001 -0.00005 -0.00000 -0.00000 0.00000 113 3PY -0.00000 -0.00002 0.00000 -0.00000 0.00000 114 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 115 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 116 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 117 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 118 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 119 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 120 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 121 9 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 122 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 123 2PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 124 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 125 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 126 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 127 3PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 128 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 129 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 130 4XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 131 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 132 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 133 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 134 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 135 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 136 10 C 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 137 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 138 2PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 139 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 140 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 141 3S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 142 3PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 143 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 144 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 145 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 146 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 147 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 149 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 150 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 151 11 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 153 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 154 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 155 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 156 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 157 3PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 158 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 159 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 160 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 161 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 162 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 163 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 166 12 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 167 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 168 13 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 169 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 170 14 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 171 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 172 15 O 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 173 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 174 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 175 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 176 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 177 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 178 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 179 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 180 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 181 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 182 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 183 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 184 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 185 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 186 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 187 16 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 188 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 189 17 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 190 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 -0.00000 0.00001 -0.00000 192 2S -0.00002 0.00024 0.00000 0.00002 -0.00000 193 19 C 1S 0.00000 -0.00000 0.00001 -0.00000 -0.00000 194 2S -0.00005 0.00005 -0.00014 0.00000 -0.00000 195 2PX -0.00012 0.00007 -0.00018 0.00004 0.00000 196 2PY -0.00012 0.00017 -0.00017 -0.00005 -0.00000 197 2PZ -0.00004 0.00005 -0.00001 0.00001 0.00000 198 3S -0.00027 0.00040 -0.00069 0.00016 -0.00000 199 3PX -0.00060 0.00007 -0.00055 0.00020 0.00000 200 3PY -0.00041 0.00072 0.00024 -0.00019 -0.00002 201 3PZ -0.00036 0.00003 -0.00025 0.00013 0.00000 202 4XX 0.00001 0.00000 0.00001 0.00000 -0.00000 203 4YY -0.00001 -0.00001 0.00000 -0.00000 0.00000 204 4ZZ 0.00000 0.00000 -0.00001 0.00000 -0.00000 205 4XY 0.00000 -0.00001 0.00001 -0.00000 0.00000 206 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 207 4YZ -0.00001 -0.00000 0.00001 0.00000 0.00000 208 20 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 209 2S 0.00005 -0.00008 0.00010 -0.00001 0.00000 210 21 H 1S -0.00008 0.00014 -0.00016 -0.00001 -0.00000 211 2S 0.00091 0.00086 0.00045 -0.00002 -0.00001 212 22 H 1S -0.00000 -0.00001 -0.00000 0.00001 0.00000 213 2S -0.00030 -0.00017 0.00009 -0.00007 0.00000 214 23 H 1S -0.00234 -0.00033 -0.00054 -0.00356 -0.00001 215 2S -0.01008 -0.00026 -0.00165 -0.01348 -0.00022 216 24 H 1S -0.00239 -0.00145 -0.00029 -0.00278 0.00001 217 2S -0.00791 -0.00338 -0.00255 -0.00731 -0.00004 218 25 H 1S 0.03456 0.01962 0.00942 0.03342 -0.00038 219 2S 0.00444 0.01846 0.00940 0.03395 -0.00037 220 26 H 1S 0.03557 0.00633 0.04902 0.00610 -0.00093 221 2S 0.00354 0.00560 0.04761 0.00591 -0.00188 222 27 H 1S -0.00406 -0.00192 -0.00403 -0.00030 -0.00001 223 2S -0.01800 -0.00573 -0.01488 -0.00156 -0.00038 224 28 C 1S 0.00001 0.00001 0.00000 -0.00000 0.00000 225 2S -0.00017 -0.00027 -0.00004 0.00000 -0.00000 226 2PX -0.00074 -0.00073 -0.00021 0.00001 -0.00000 227 2PY -0.00013 -0.00027 -0.00008 -0.00000 -0.00000 228 2PZ 0.00000 0.00000 -0.00000 0.00002 0.00000 229 3S -0.00231 -0.00378 0.00010 -0.00000 -0.00002 230 3PX -0.00422 -0.00351 -0.00036 0.00002 -0.00001 231 3PY -0.00066 -0.00075 -0.00085 -0.00001 -0.00002 232 3PZ 0.00000 0.00002 -0.00001 0.00013 0.00000 233 4XX 0.00000 0.00002 0.00001 -0.00000 0.00000 234 4YY -0.00001 -0.00001 -0.00000 0.00000 -0.00000 235 4ZZ 0.00001 0.00001 0.00000 -0.00000 -0.00000 236 4XY -0.00000 -0.00002 -0.00001 -0.00000 0.00000 237 4XZ 0.00000 0.00000 -0.00000 -0.00001 0.00000 238 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 239 29 H 1S -0.00012 0.00026 -0.00066 -0.00004 0.00000 240 2S 0.00097 0.00315 -0.00178 -0.00012 -0.00001 241 30 H 1S 0.00001 0.00000 0.00000 0.00000 0.00000 242 2S 0.00016 0.00001 0.00004 0.00007 0.00000 243 31 H 1S 0.00001 0.00001 0.00000 0.00000 0.00000 244 2S 0.00020 0.00035 0.00006 0.00003 0.00000 245 32 H 1S 0.00000 0.00000 0.00001 0.00000 -0.00000 246 2S 0.00000 0.00000 -0.00002 0.00000 -0.00000 247 33 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 2S -0.00005 -0.00004 -0.00002 0.00000 0.00000 249 34 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 250 2S -0.00005 -0.00011 -0.00005 0.00000 0.00000 56 57 58 59 60 56 4YY 0.00119 57 4ZZ -0.00010 0.00097 58 4XY -0.00000 -0.00000 0.00113 59 4XZ -0.00000 0.00000 0.00000 0.00143 60 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00097 61 5 C 1S 0.00000 -0.00003 -0.00000 -0.00007 -0.00000 62 2S -0.00022 0.00069 0.00004 0.00132 0.00007 63 2PX -0.00024 0.00141 -0.00000 0.00033 0.00018 64 2PY 0.00001 0.00002 0.00038 0.00016 0.00056 65 2PZ -0.00035 -0.00065 0.00012 0.00134 0.00004 66 3S -0.00083 0.00068 0.00005 0.00105 0.00006 67 3PX -0.00044 0.00114 -0.00000 -0.00002 0.00004 68 3PY -0.00004 0.00003 0.00025 0.00002 0.00038 69 3PZ -0.00082 -0.00059 0.00005 0.00018 0.00001 70 4XX 0.00001 -0.00008 0.00001 -0.00001 -0.00001 71 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 72 4ZZ -0.00001 0.00006 -0.00002 -0.00006 0.00002 73 4XY 0.00000 -0.00002 -0.00002 -0.00001 -0.00002 74 4XZ -0.00000 -0.00006 -0.00001 0.00006 -0.00002 75 4YZ 0.00000 0.00002 -0.00002 -0.00002 -0.00006 76 6 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 77 2S 0.00000 -0.00000 0.00001 0.00000 0.00000 78 2PX 0.00000 -0.00001 0.00003 0.00001 0.00000 79 2PY 0.00000 -0.00000 0.00001 0.00000 0.00000 80 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 81 3S 0.00000 -0.00006 0.00006 -0.00004 -0.00000 82 3PX 0.00001 -0.00012 0.00009 -0.00003 0.00000 83 3PY 0.00000 -0.00002 0.00000 -0.00001 -0.00000 84 3PZ 0.00001 -0.00001 0.00001 -0.00000 0.00000 85 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 87 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 88 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 89 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 90 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 92 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 93 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 94 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 95 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 96 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 97 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 98 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 99 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 100 4XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 101 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 108 2PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 109 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 110 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 111 3S 0.00000 -0.00000 0.00000 0.00000 -0.00000 112 3PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 113 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 114 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 115 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 116 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 117 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 118 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 123 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 124 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 125 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 126 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 127 3PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 128 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 129 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 130 4XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 131 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 132 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 133 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 134 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 135 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 136 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 138 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 140 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 141 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 142 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 143 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 144 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 145 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 146 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 147 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 157 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 158 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 159 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 168 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 170 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 172 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 3S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 178 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 179 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 180 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 181 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 182 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 183 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 184 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 185 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 186 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 187 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 190 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 192 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 193 19 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 194 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 195 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 196 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 197 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 198 3S -0.00000 0.00000 -0.00001 0.00000 -0.00000 199 3PX 0.00000 -0.00000 0.00001 -0.00000 0.00000 200 3PY 0.00001 0.00001 -0.00002 0.00000 -0.00001 201 3PZ -0.00000 0.00000 0.00001 0.00000 -0.00000 202 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 203 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 204 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 205 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 206 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 207 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 208 20 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 211 2S 0.00001 0.00000 -0.00001 0.00000 -0.00000 212 22 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 213 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 214 23 H 1S -0.00000 0.00009 0.00000 -0.00001 0.00003 215 2S -0.00004 0.00078 -0.00000 -0.00010 0.00015 216 24 H 1S 0.00000 0.00001 0.00002 0.00004 0.00003 217 2S 0.00021 -0.00004 0.00012 0.00009 0.00018 218 25 H 1S -0.00075 0.00203 0.00081 0.00277 0.00149 219 2S -0.00159 0.00289 0.00015 0.00065 0.00033 220 26 H 1S 0.00437 -0.00082 0.00155 0.00021 0.00152 221 2S 0.00454 -0.00149 0.00032 0.00006 0.00036 222 27 H 1S 0.00008 -0.00000 0.00001 -0.00000 0.00002 223 2S 0.00083 0.00002 -0.00007 -0.00002 0.00008 224 28 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 225 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 226 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 228 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 229 3S 0.00000 0.00001 0.00000 -0.00000 0.00000 230 3PX -0.00001 0.00001 0.00001 -0.00000 0.00000 231 3PY 0.00001 -0.00000 -0.00000 -0.00000 0.00000 232 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 233 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 234 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 235 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 236 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 237 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 238 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 239 29 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 240 2S 0.00001 -0.00001 0.00000 0.00000 0.00000 241 30 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 242 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 243 31 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 244 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 245 32 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 246 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 247 33 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 248 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 249 34 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 250 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 61 62 63 64 65 61 5 C 1S 2.05172 62 2S -0.01181 0.30518 63 2PX 0.00000 0.00000 0.39446 64 2PY 0.00000 0.00000 -0.00000 0.40305 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.38697 66 3S -0.03657 0.24572 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.10305 -0.00000 0.00000 68 3PY 0.00000 0.00000 -0.00000 0.10482 -0.00000 69 3PZ 0.00000 0.00000 -0.00000 0.00000 0.10081 70 4XX -0.00126 -0.00329 0.00000 0.00000 0.00000 71 4YY -0.00138 -0.00067 0.00000 0.00000 0.00000 72 4ZZ -0.00130 -0.00242 0.00000 0.00000 0.00000 73 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 74 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00019 -0.00093 -0.00047 -0.00008 77 2S -0.00020 0.00528 0.01855 0.00929 0.00161 78 2PX -0.00087 0.01675 0.02937 0.02194 0.00403 79 2PY -0.00044 0.00813 0.02216 0.00326 0.00194 80 2PZ -0.00006 0.00110 0.00371 0.00190 0.00152 81 3S 0.00036 -0.00085 0.01671 0.01038 0.00186 82 3PX -0.00051 0.00918 0.00560 0.00882 0.00122 83 3PY 0.00019 0.00083 0.00272 -0.00101 0.00052 84 3PZ 0.00001 0.00029 0.00117 0.00078 0.00116 85 4XX -0.00004 0.00096 -0.00079 0.00136 0.00019 86 4YY -0.00000 -0.00006 0.00026 -0.00047 -0.00001 87 4ZZ 0.00000 -0.00015 -0.00032 -0.00014 0.00003 88 4XY -0.00008 0.00145 0.00171 0.00012 0.00025 89 4XZ -0.00001 0.00016 0.00016 0.00024 0.00058 90 4YZ -0.00001 0.00008 0.00023 -0.00002 0.00019 91 7 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00007 -0.00030 0.00000 -0.00001 93 2PX 0.00000 -0.00023 -0.00076 -0.00002 -0.00005 94 2PY 0.00000 -0.00001 -0.00000 -0.00003 0.00000 95 2PZ 0.00000 -0.00001 -0.00005 -0.00000 -0.00002 96 3S 0.00005 -0.00120 -0.00427 0.00015 -0.00016 97 3PX 0.00001 0.00022 0.00287 -0.00014 -0.00034 98 3PY 0.00001 -0.00011 0.00015 -0.00037 0.00001 99 3PZ 0.00000 0.00002 0.00001 -0.00001 -0.00074 100 4XX -0.00000 0.00003 0.00014 0.00001 0.00001 101 4YY 0.00000 -0.00000 -0.00001 0.00000 -0.00000 102 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY -0.00000 0.00000 0.00001 -0.00000 0.00000 104 4XZ -0.00000 0.00000 0.00001 0.00000 0.00000 105 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 106 8 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 2S -0.00000 0.00000 0.00000 0.00000 0.00000 108 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 109 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 110 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 111 3S -0.00000 0.00003 0.00015 0.00001 0.00001 112 3PX -0.00000 0.00002 0.00012 -0.00002 -0.00000 113 3PY -0.00000 0.00001 0.00007 -0.00000 0.00000 114 3PZ -0.00000 0.00000 0.00001 -0.00000 -0.00000 115 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 116 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 117 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 119 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 123 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 124 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 125 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 126 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 127 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 128 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 129 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 130 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 132 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 134 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 136 10 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 137 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 138 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 139 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 140 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 141 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 142 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 143 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 144 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 145 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 146 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 147 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 148 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 149 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 150 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 153 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 154 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 155 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 156 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 157 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 158 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 159 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 168 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 170 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 172 15 O 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 173 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 174 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 175 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 176 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 177 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 178 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 179 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 180 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 181 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 182 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 183 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 185 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 186 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 187 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S -0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 -0.00001 -0.00005 0.00000 -0.00000 192 2S 0.00001 -0.00037 -0.00130 0.00030 -0.00004 193 19 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 -0.00004 -0.00003 -0.00015 -0.00000 195 2PX 0.00000 -0.00002 -0.00000 -0.00003 0.00000 196 2PY 0.00000 -0.00015 -0.00016 -0.00043 -0.00004 197 2PZ 0.00000 -0.00001 -0.00000 -0.00004 -0.00001 198 3S 0.00009 -0.00139 -0.00089 -0.00414 -0.00009 199 3PX 0.00001 -0.00015 -0.00001 0.00049 0.00006 200 3PY 0.00016 -0.00233 -0.00207 -0.00406 -0.00051 201 3PZ 0.00001 -0.00012 -0.00004 -0.00035 -0.00036 202 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 203 4YY -0.00000 0.00000 0.00001 0.00003 0.00000 204 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 205 4XY -0.00000 0.00001 0.00001 0.00004 0.00000 206 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 207 4YZ -0.00000 0.00000 0.00000 0.00001 0.00000 208 20 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 209 2S -0.00000 0.00009 0.00010 0.00027 0.00001 210 21 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 211 2S 0.00000 -0.00011 -0.00002 -0.00020 -0.00013 212 22 H 1S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 213 2S 0.00000 -0.00012 -0.00006 -0.00024 0.00003 214 23 H 1S -0.00165 0.02694 0.02724 0.01828 0.05141 215 2S -0.00039 0.00812 0.01731 0.01206 0.03377 216 24 H 1S -0.00170 0.02784 0.00903 0.07928 0.01001 217 2S -0.00042 0.00901 0.00495 0.04947 0.00620 218 25 H 1S 0.00000 -0.00013 -0.00000 -0.00006 -0.00043 219 2S 0.00015 -0.00255 0.00007 -0.00097 -0.00729 220 26 H 1S 0.00000 -0.00012 -0.00020 -0.00007 -0.00022 221 2S 0.00013 -0.00215 -0.00267 -0.00150 -0.00336 222 27 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 223 2S 0.00000 -0.00004 -0.00013 0.00010 -0.00003 224 28 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 225 2S -0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 229 3S -0.00000 0.00000 0.00000 0.00000 0.00000 230 3PX -0.00000 0.00000 0.00001 0.00000 0.00000 231 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 232 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 233 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 235 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 236 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 238 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 239 29 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 240 2S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 241 30 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 242 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 243 31 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 244 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 245 32 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 246 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 248 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 249 34 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 250 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 66 67 68 69 70 66 3S 0.35547 67 3PX 0.00000 0.08891 68 3PY 0.00000 -0.00000 0.08863 69 3PZ 0.00000 -0.00000 -0.00000 0.08442 70 4XX -0.00219 0.00000 0.00000 0.00000 0.00093 71 4YY -0.00048 0.00000 0.00000 0.00000 -0.00010 72 4ZZ -0.00189 0.00000 0.00000 0.00000 -0.00003 73 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 75 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00019 -0.00113 -0.00049 -0.00017 -0.00005 77 2S 0.00334 0.01443 0.00545 0.00142 0.00116 78 2PX 0.02178 0.00653 0.01336 0.00198 -0.00045 79 2PY 0.01480 0.01707 -0.00220 0.00134 0.00169 80 2PZ 0.00137 0.00323 0.00205 0.00416 0.00024 81 3S -0.01810 0.00973 0.00585 0.00124 0.00171 82 3PX 0.00885 -0.00186 0.00555 0.00086 -0.00004 83 3PY -0.00004 0.00184 -0.00091 0.00036 0.00042 84 3PZ -0.00032 0.00178 0.00160 0.00527 0.00022 85 4XX 0.00210 -0.00033 0.00116 0.00015 0.00003 86 4YY -0.00048 0.00002 -0.00080 0.00000 -0.00009 87 4ZZ -0.00029 -0.00035 -0.00010 -0.00011 -0.00003 88 4XY 0.00097 0.00019 -0.00004 0.00004 -0.00003 89 4XZ 0.00010 0.00001 0.00003 0.00036 -0.00000 90 4YZ 0.00004 0.00005 0.00000 0.00018 -0.00000 91 7 C 1S 0.00006 0.00012 0.00000 -0.00001 -0.00000 92 2S -0.00090 -0.00184 0.00002 0.00011 0.00003 93 2PX -0.00379 -0.00380 -0.00055 -0.00004 0.00012 94 2PY -0.00023 -0.00002 -0.00034 0.00003 -0.00000 95 2PZ -0.00019 0.00007 0.00005 -0.00010 0.00001 96 3S -0.00389 -0.00690 0.00041 0.00008 0.00017 97 3PX 0.00027 0.00571 -0.00065 -0.00001 0.00043 98 3PY -0.00033 0.00041 -0.00093 0.00006 0.00001 99 3PZ 0.00004 0.00091 0.00013 -0.00091 0.00009 100 4XX 0.00033 0.00069 0.00002 0.00004 0.00000 101 4YY -0.00014 -0.00028 -0.00000 -0.00000 -0.00000 102 4ZZ 0.00003 0.00005 0.00000 -0.00001 -0.00000 103 4XY 0.00004 0.00006 -0.00005 0.00000 -0.00000 104 4XZ 0.00002 0.00006 0.00000 0.00003 0.00000 105 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 106 8 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 107 2S 0.00002 0.00003 0.00001 0.00000 -0.00000 108 2PX 0.00011 0.00020 0.00004 0.00000 -0.00000 109 2PY 0.00001 0.00001 -0.00000 -0.00000 -0.00000 110 2PZ 0.00001 0.00000 0.00000 -0.00000 -0.00000 111 3S 0.00057 0.00159 0.00010 0.00004 -0.00000 112 3PX 0.00086 0.00119 0.00000 -0.00002 -0.00000 113 3PY 0.00015 0.00044 -0.00001 -0.00000 0.00000 114 3PZ 0.00007 0.00005 -0.00000 -0.00006 -0.00000 115 4XX -0.00000 -0.00001 -0.00000 -0.00000 0.00000 116 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 117 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 119 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 120 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 123 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 124 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 125 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 126 3S -0.00001 -0.00004 -0.00000 -0.00000 0.00000 127 3PX -0.00003 -0.00011 -0.00000 -0.00000 0.00000 128 3PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 129 3PZ -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 130 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 131 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 134 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 135 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 136 10 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 137 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 138 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 139 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 140 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 141 3S -0.00000 0.00000 0.00000 0.00000 0.00000 142 3PX 0.00000 0.00001 -0.00000 0.00000 0.00000 143 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 144 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 145 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 146 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 147 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 148 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 149 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 150 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 151 11 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 152 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 153 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 154 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 155 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 156 3S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 157 3PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 158 3PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 159 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 160 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 162 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 163 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 164 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 165 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 167 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 168 13 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 169 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 170 14 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 171 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 172 15 O 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 173 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 174 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 175 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 176 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 177 3S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 178 3PX 0.00000 -0.00002 -0.00000 -0.00000 -0.00000 179 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 181 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 182 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 183 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 184 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 185 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 186 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 187 16 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 188 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 189 17 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00003 0.00007 0.00003 0.00001 0.00000 191 18 H 1S -0.00084 -0.00099 -0.00010 0.00004 -0.00000 192 2S -0.00411 -0.00473 0.00053 -0.00004 -0.00010 193 19 C 1S 0.00009 0.00004 0.00014 0.00001 0.00000 194 2S -0.00126 -0.00050 -0.00179 -0.00003 -0.00000 195 2PX -0.00046 -0.00001 -0.00016 0.00004 0.00000 196 2PY -0.00415 -0.00271 -0.00271 -0.00038 -0.00001 197 2PZ -0.00019 0.00003 -0.00029 -0.00038 -0.00000 198 3S -0.00849 -0.00330 -0.01008 -0.00020 -0.00012 199 3PX -0.00042 -0.00019 0.00095 0.00017 0.00001 200 3PY -0.01259 -0.00617 -0.00541 -0.00107 -0.00032 201 3PZ -0.00048 0.00004 -0.00050 -0.00151 -0.00001 202 4XX 0.00007 0.00001 0.00005 -0.00001 0.00000 203 4YY -0.00002 0.00000 0.00011 0.00002 0.00000 204 4ZZ -0.00000 0.00003 -0.00002 0.00000 0.00000 205 4XY 0.00011 -0.00001 0.00016 0.00001 0.00000 206 4XZ 0.00001 -0.00000 0.00000 -0.00001 -0.00000 207 4YZ 0.00001 0.00001 0.00005 0.00003 0.00000 208 20 H 1S 0.00007 0.00007 0.00008 0.00000 0.00000 209 2S 0.00136 0.00090 0.00170 0.00006 0.00000 210 21 H 1S -0.00010 -0.00000 -0.00005 -0.00021 0.00000 211 2S -0.00050 -0.00000 0.00037 -0.00096 0.00002 212 22 H 1S -0.00013 0.00005 -0.00054 -0.00010 0.00000 213 2S -0.00023 0.00004 -0.00168 -0.00021 0.00000 214 23 H 1S 0.03400 0.01721 0.01181 0.03170 -0.00047 215 2S -0.00072 0.01696 0.01079 0.03207 -0.00047 216 24 H 1S 0.03634 0.00507 0.05128 0.00668 -0.00094 217 2S 0.00381 0.00379 0.04937 0.00665 -0.00190 218 25 H 1S -0.00307 -0.00030 -0.00021 -0.00427 -0.00001 219 2S -0.01252 -0.00020 -0.00084 -0.01456 -0.00023 220 26 H 1S -0.00191 -0.00174 -0.00015 -0.00264 0.00001 221 2S -0.00679 -0.00435 -0.00213 -0.00767 -0.00002 222 27 H 1S -0.00027 0.00009 -0.00038 -0.00004 -0.00000 223 2S -0.00127 0.00046 -0.00044 -0.00018 -0.00003 224 28 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 225 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 226 2PX 0.00000 0.00000 0.00000 0.00001 -0.00000 227 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 228 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 229 3S -0.00001 0.00009 0.00000 0.00004 -0.00000 230 3PX 0.00003 0.00009 0.00001 0.00008 -0.00000 231 3PY -0.00001 0.00000 -0.00000 -0.00000 0.00000 232 3PZ -0.00002 0.00000 0.00000 0.00000 0.00000 233 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 235 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 236 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 237 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 238 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 239 29 H 1S 0.00000 -0.00000 0.00000 0.00001 -0.00000 240 2S -0.00002 -0.00011 0.00002 -0.00001 0.00000 241 30 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 242 2S -0.00001 -0.00000 -0.00000 -0.00001 0.00000 243 31 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 244 2S 0.00004 0.00000 0.00000 0.00000 -0.00000 245 32 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 246 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 247 33 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 248 2S 0.00001 0.00001 -0.00000 -0.00000 -0.00000 249 34 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 250 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 71 72 73 74 75 71 4YY 0.00118 72 4ZZ -0.00008 0.00094 73 4XY -0.00000 -0.00000 0.00111 74 4XZ -0.00000 0.00000 0.00000 0.00130 75 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00101 76 6 C 1S -0.00000 0.00000 -0.00008 -0.00001 -0.00001 77 2S 0.00002 -0.00032 0.00138 0.00017 0.00009 78 2PX 0.00048 -0.00057 0.00155 0.00021 0.00024 79 2PY -0.00039 -0.00024 0.00019 0.00027 0.00000 80 2PZ 0.00002 0.00002 0.00026 0.00049 0.00020 81 3S -0.00018 -0.00080 0.00072 0.00007 0.00002 82 3PX 0.00034 -0.00077 0.00013 0.00003 0.00005 83 3PY -0.00028 -0.00008 -0.00001 0.00003 -0.00000 84 3PZ 0.00003 -0.00011 0.00008 0.00059 0.00020 85 4XX -0.00012 0.00002 0.00000 0.00000 -0.00004 86 4YY 0.00003 -0.00001 -0.00002 -0.00002 0.00001 87 4ZZ 0.00000 0.00001 -0.00004 -0.00000 0.00000 88 4XY 0.00000 -0.00003 0.00003 -0.00001 0.00001 89 4XZ 0.00000 -0.00000 -0.00002 -0.00007 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 91 7 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 92 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 93 2PX -0.00001 0.00000 -0.00000 0.00002 -0.00000 94 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 95 2PZ -0.00000 0.00000 0.00000 0.00001 0.00000 96 3S -0.00010 0.00008 -0.00001 0.00002 -0.00000 97 3PX -0.00013 -0.00005 -0.00002 0.00007 0.00000 98 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 99 3PZ -0.00001 -0.00002 0.00001 0.00021 0.00001 100 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 102 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 103 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 106 8 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 107 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 108 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 109 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 110 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 111 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 112 3PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 113 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 114 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 115 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 116 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 117 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 118 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 119 4XZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 120 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 123 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 124 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 125 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 126 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 127 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 128 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 129 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 130 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 131 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 132 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 133 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 134 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 135 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 136 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 138 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 139 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 140 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 141 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 142 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 143 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 144 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 145 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 146 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 147 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 148 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 149 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 150 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 158 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 159 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 170 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 172 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 174 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 175 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 176 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 177 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 178 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 179 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 180 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 181 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 182 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 183 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 184 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 185 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 186 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 187 16 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 188 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 189 17 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 190 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 192 2S 0.00005 0.00001 0.00002 -0.00000 -0.00000 193 19 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 194 2S 0.00001 -0.00000 0.00000 -0.00000 0.00000 195 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 196 2PY 0.00007 -0.00000 0.00001 -0.00000 0.00001 197 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 198 3S 0.00031 0.00000 -0.00003 -0.00001 0.00002 199 3PX 0.00000 -0.00002 -0.00000 -0.00000 -0.00000 200 3PY 0.00062 0.00004 -0.00002 -0.00001 0.00004 201 3PZ 0.00003 -0.00000 0.00000 0.00001 -0.00000 202 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 203 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 204 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 205 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 206 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 207 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 20 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 209 2S -0.00002 -0.00000 0.00000 0.00000 -0.00000 210 21 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 211 2S -0.00002 0.00000 -0.00000 -0.00000 -0.00001 212 22 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 213 2S -0.00002 0.00001 -0.00001 -0.00000 0.00000 214 23 H 1S -0.00064 0.00188 0.00089 0.00252 0.00175 215 2S -0.00137 0.00280 0.00017 0.00061 0.00039 216 24 H 1S 0.00458 -0.00075 0.00129 0.00017 0.00158 217 2S 0.00450 -0.00129 0.00026 0.00005 0.00036 218 25 H 1S -0.00000 0.00010 0.00000 -0.00001 0.00003 219 2S -0.00003 0.00078 -0.00000 -0.00009 0.00015 220 26 H 1S 0.00000 0.00001 0.00002 0.00003 0.00003 221 2S 0.00023 -0.00009 0.00010 0.00008 0.00017 222 27 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 223 2S 0.00003 0.00001 -0.00003 -0.00000 -0.00001 224 28 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 225 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 226 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 227 2PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 230 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 231 3PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 232 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 234 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 236 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 237 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 238 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 239 29 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 240 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 241 30 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 242 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S -0.00000 0.00000 0.00000 0.00000 0.00000 245 32 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 246 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 247 33 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 248 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 249 34 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 250 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 76 77 78 79 80 76 6 C 1S 2.05355 77 2S -0.01463 0.33918 78 2PX 0.00000 0.00000 0.42889 79 2PY 0.00000 0.00000 -0.00000 0.40694 80 2PZ 0.00000 0.00000 0.00000 -0.00000 0.31815 81 3S -0.03137 0.21992 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.07408 0.00000 -0.00000 83 3PY 0.00000 0.00000 0.00000 0.03434 0.00000 84 3PZ 0.00000 0.00000 -0.00000 0.00000 0.11129 85 4XX -0.00131 -0.00239 0.00000 0.00000 0.00000 86 4YY -0.00126 -0.00346 0.00000 0.00000 0.00000 87 4ZZ -0.00088 -0.01083 0.00000 0.00000 0.00000 88 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 89 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 -0.00072 -0.00280 -0.00062 -0.00003 92 2S -0.00072 0.01352 0.03780 0.00872 0.00037 93 2PX -0.00273 0.03686 0.05731 0.02269 0.00258 94 2PY -0.00075 0.00986 0.02652 -0.00094 -0.00042 95 2PZ -0.00003 0.00037 0.00242 -0.00046 0.02986 96 3S -0.00001 0.00867 0.02486 0.00505 0.00032 97 3PX -0.00099 0.01427 0.00390 0.01352 0.00113 98 3PY -0.00041 0.00531 0.00649 0.00300 -0.00031 99 3PZ -0.00002 0.00018 0.00121 -0.00020 0.04623 100 4XX -0.00017 0.00200 -0.00115 0.00199 0.00006 101 4YY 0.00002 -0.00059 -0.00066 -0.00012 -0.00001 102 4ZZ 0.00000 -0.00043 -0.00079 -0.00016 0.00001 103 4XY -0.00014 0.00138 0.00236 0.00007 0.00006 104 4XZ -0.00000 0.00004 0.00003 0.00003 0.00171 105 4YZ -0.00000 0.00002 0.00008 0.00000 0.00049 106 8 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00006 -0.00022 0.00000 -0.00001 108 2PX 0.00000 -0.00025 -0.00084 0.00000 -0.00002 109 2PY 0.00000 -0.00000 -0.00001 -0.00001 0.00000 110 2PZ 0.00000 -0.00001 -0.00003 0.00000 0.00001 111 3S 0.00006 -0.00135 -0.00551 -0.00012 -0.00029 112 3PX 0.00001 -0.00075 0.00082 -0.00007 0.00003 113 3PY -0.00000 0.00000 -0.00017 0.00075 -0.00001 114 3PZ 0.00000 -0.00003 -0.00010 -0.00000 0.00014 115 4XX -0.00000 0.00002 0.00012 -0.00000 0.00002 116 4YY 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 117 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 119 4XZ -0.00000 0.00000 0.00002 0.00000 0.00001 120 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 121 9 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 122 2S -0.00000 0.00000 0.00000 0.00000 0.00000 123 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 124 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 125 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 126 3S -0.00000 0.00002 0.00014 -0.00001 0.00001 127 3PX -0.00000 0.00006 0.00039 -0.00002 -0.00002 128 3PY -0.00000 0.00001 0.00003 -0.00001 0.00000 129 3PZ 0.00000 -0.00000 -0.00002 0.00000 -0.00006 130 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 131 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 132 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 133 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 134 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 135 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 136 10 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 137 2S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 139 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 140 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 141 3S -0.00000 0.00000 0.00000 0.00000 0.00000 142 3PX 0.00000 0.00000 -0.00001 0.00000 -0.00000 143 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 144 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 145 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 146 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 147 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 148 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 149 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 150 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 155 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 156 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 157 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 158 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 159 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 160 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 161 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 164 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 165 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 166 12 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 167 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 13 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 169 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 170 14 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 171 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 172 15 O 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 173 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 174 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 175 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 176 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 177 3S -0.00000 0.00000 0.00000 0.00000 0.00000 178 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 179 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 180 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 181 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 182 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 183 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 184 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 185 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 186 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 187 16 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 188 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 189 17 H 1S 0.00000 -0.00000 -0.00002 -0.00000 -0.00000 190 2S 0.00001 -0.00027 -0.00103 0.00006 -0.00003 191 18 H 1S 0.00000 -0.00026 -0.00034 -0.00046 0.00000 192 2S 0.00022 -0.00350 -0.00315 -0.00674 -0.00001 193 19 C 1S 0.00000 -0.00021 -0.00004 -0.00138 -0.00002 194 2S -0.00021 0.00538 0.00070 0.02506 0.00036 195 2PX -0.00005 0.00103 0.00027 0.00389 0.00002 196 2PY -0.00143 0.02802 0.00310 0.07678 0.00165 197 2PZ -0.00002 0.00035 0.00000 0.00150 0.00251 198 3S -0.00007 0.00386 0.00070 0.04561 0.00078 199 3PX -0.00010 0.00133 0.00160 0.00307 0.00002 200 3PY -0.00155 0.01924 0.00199 0.03476 0.00119 201 3PZ -0.00002 0.00018 -0.00002 0.00103 0.00598 202 4XX 0.00000 -0.00028 0.00002 -0.00076 -0.00001 203 4YY -0.00014 0.00268 0.00035 0.00215 0.00014 204 4ZZ 0.00000 -0.00030 -0.00003 -0.00068 0.00001 205 4XY -0.00001 0.00019 0.00095 0.00047 0.00001 206 4XZ -0.00000 0.00000 0.00001 0.00001 0.00004 207 4YZ -0.00001 0.00009 0.00001 0.00017 0.00101 208 20 H 1S 0.00000 -0.00012 -0.00004 -0.00041 -0.00002 209 2S 0.00014 -0.00244 -0.00121 -0.00610 -0.00029 210 21 H 1S 0.00000 -0.00014 -0.00009 -0.00032 -0.00003 211 2S 0.00014 -0.00242 -0.00188 -0.00348 -0.00224 212 22 H 1S 0.00000 -0.00015 -0.00008 -0.00038 -0.00001 213 2S 0.00016 -0.00257 -0.00087 -0.00514 -0.00145 214 23 H 1S 0.00000 -0.00016 -0.00044 -0.00002 -0.00007 215 2S 0.00015 -0.00274 -0.00564 -0.00004 -0.00244 216 24 H 1S 0.00000 -0.00016 -0.00009 -0.00041 -0.00004 217 2S 0.00017 -0.00291 -0.00104 -0.00689 -0.00046 218 25 H 1S 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 219 2S 0.00001 -0.00023 -0.00039 -0.00003 0.00040 220 26 H 1S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 221 2S 0.00000 -0.00014 -0.00029 -0.00002 0.00006 222 27 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 223 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 227 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 228 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 229 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 230 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 231 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 232 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 236 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 238 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 239 29 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 240 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 242 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 243 31 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 244 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 247 33 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 248 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 81 82 83 84 85 81 3S 0.27755 82 3PX 0.00000 0.05066 83 3PY 0.00000 0.00000 0.02125 84 3PZ 0.00000 -0.00000 0.00000 0.12653 85 4XX -0.00077 0.00000 0.00000 0.00000 0.00117 86 4YY -0.00359 0.00000 0.00000 0.00000 -0.00023 87 4ZZ -0.00690 0.00000 0.00000 0.00000 0.00007 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 90 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.00001 -0.00113 0.00013 -0.00002 -0.00016 92 2S 0.00767 0.01834 -0.00117 0.00033 0.00194 93 2PX 0.02896 0.00419 0.00473 0.00127 -0.00077 94 2PY 0.01485 0.01104 0.00005 -0.00027 0.00213 95 2PZ -0.00001 0.00136 -0.00037 0.04246 0.00011 96 3S -0.02190 0.00872 -0.00413 0.00037 0.00169 97 3PX -0.00305 0.00024 0.00125 0.00129 -0.00046 98 3PY 0.01284 0.00543 -0.00054 -0.00037 0.00058 99 3PZ -0.00053 0.00140 -0.00048 0.07289 0.00013 100 4XX 0.00301 -0.00051 0.00052 0.00009 0.00008 101 4YY -0.00231 -0.00067 -0.00026 -0.00005 -0.00014 102 4ZZ -0.00060 -0.00047 0.00001 -0.00003 -0.00003 103 4XY 0.00051 0.00007 0.00001 0.00000 -0.00010 104 4XZ 0.00001 0.00001 -0.00001 0.00103 0.00001 105 4YZ 0.00002 0.00001 0.00000 0.00029 0.00000 106 8 C 1S 0.00001 -0.00000 0.00000 0.00000 -0.00000 107 2S -0.00009 0.00001 -0.00004 -0.00005 0.00002 108 2PX -0.00339 -0.00009 0.00016 0.00013 0.00011 109 2PY 0.00008 -0.00001 0.00013 -0.00000 0.00000 110 2PZ -0.00003 0.00004 0.00000 -0.00010 0.00001 111 3S -0.00434 -0.00658 -0.00011 -0.00037 0.00026 112 3PX -0.00336 0.00318 0.00018 0.00028 0.00044 113 3PY 0.00009 -0.00018 0.00072 -0.00001 0.00000 114 3PZ 0.00001 -0.00001 -0.00000 -0.00083 0.00005 115 4XX 0.00033 0.00029 -0.00000 0.00013 0.00000 116 4YY -0.00017 -0.00014 0.00000 -0.00000 -0.00000 117 4ZZ 0.00000 0.00005 0.00000 -0.00003 -0.00000 118 4XY -0.00001 -0.00001 -0.00003 0.00000 0.00000 119 4XZ 0.00000 0.00007 0.00000 0.00024 0.00000 120 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 121 9 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 122 2S 0.00002 -0.00002 0.00001 -0.00000 -0.00000 123 2PX 0.00015 0.00015 0.00003 -0.00003 -0.00000 124 2PY 0.00001 -0.00001 -0.00001 0.00000 -0.00000 125 2PZ 0.00000 -0.00003 0.00000 -0.00005 -0.00000 126 3S -0.00008 0.00017 -0.00008 0.00002 -0.00000 127 3PX 0.00140 0.00218 0.00005 -0.00023 -0.00000 128 3PY 0.00017 0.00011 -0.00021 0.00003 -0.00000 129 3PZ 0.00003 -0.00030 0.00003 -0.00097 -0.00000 130 4XX 0.00000 -0.00001 0.00000 -0.00000 0.00000 131 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 132 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 133 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 134 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 136 10 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 137 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 138 2PX 0.00000 0.00001 -0.00000 -0.00000 0.00000 139 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 140 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 141 3S -0.00001 0.00004 -0.00001 0.00000 -0.00000 142 3PX 0.00008 0.00004 0.00008 -0.00001 -0.00000 143 3PY 0.00009 0.00014 0.00003 0.00000 0.00000 144 3PZ -0.00000 -0.00001 0.00000 -0.00003 -0.00000 145 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 146 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 147 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 148 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 149 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 151 11 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 153 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 154 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 155 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 157 3PX 0.00000 0.00000 0.00000 -0.00000 0.00000 158 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 159 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 161 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 165 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 168 13 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 169 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 170 14 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 171 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 172 15 O 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 173 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 174 2PX 0.00001 0.00001 0.00001 0.00000 0.00000 175 2PY 0.00000 0.00001 0.00000 -0.00000 0.00000 176 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 3S 0.00003 0.00003 0.00008 -0.00000 0.00000 178 3PX 0.00018 0.00017 0.00027 0.00000 0.00000 179 3PY 0.00013 0.00019 0.00008 -0.00000 0.00000 180 3PZ 0.00000 0.00000 -0.00000 0.00004 0.00000 181 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 182 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 183 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 184 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 185 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 4YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 187 16 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 188 2S -0.00003 -0.00005 0.00000 -0.00000 0.00000 189 17 H 1S -0.00073 -0.00024 0.00002 -0.00002 -0.00000 190 2S -0.00505 -0.00238 0.00043 -0.00005 -0.00010 191 18 H 1S -0.00610 -0.00266 -0.00116 0.00001 -0.00003 192 2S -0.01277 -0.00448 0.00013 0.00001 -0.00051 193 19 C 1S -0.00003 -0.00009 -0.00027 0.00001 0.00000 194 2S 0.00321 0.00055 0.01052 0.00011 -0.00036 195 2PX 0.00123 -0.00188 0.00068 0.00001 0.00002 196 2PY 0.02601 0.00175 0.00904 0.00020 -0.00101 197 2PZ 0.00010 0.00002 0.00056 0.00091 -0.00003 198 3S -0.00528 0.00061 0.01512 0.00023 -0.00189 199 3PX 0.00153 -0.00206 0.00068 -0.00001 -0.00012 200 3PY 0.01511 0.00127 0.00367 0.00028 -0.00217 201 3PZ -0.00018 -0.00002 0.00054 0.00556 -0.00004 202 4XX -0.00079 -0.00007 -0.00044 -0.00003 0.00001 203 4YY 0.00301 0.00025 0.00033 0.00009 -0.00004 204 4ZZ -0.00099 -0.00009 -0.00037 -0.00003 0.00001 205 4XY 0.00009 0.00042 0.00003 -0.00000 0.00000 206 4XZ 0.00000 0.00002 0.00000 0.00007 -0.00000 207 4YZ 0.00004 -0.00000 0.00002 0.00093 0.00000 208 20 H 1S -0.00147 -0.00036 -0.00078 -0.00002 -0.00000 209 2S -0.00593 -0.00163 -0.00315 -0.00019 0.00008 210 21 H 1S -0.00156 -0.00116 -0.00064 -0.00118 0.00001 211 2S -0.00501 -0.00443 -0.00127 -0.00709 0.00030 212 22 H 1S -0.00214 -0.00037 -0.00031 -0.00093 0.00000 213 2S -0.00653 -0.00065 -0.00333 -0.00546 0.00007 214 23 H 1S -0.00205 -0.00209 -0.00006 -0.00117 0.00005 215 2S -0.00544 -0.00455 0.00027 -0.00675 0.00026 216 24 H 1S -0.00313 -0.00047 -0.00171 -0.00050 -0.00002 217 2S -0.01080 -0.00118 -0.00500 -0.00088 -0.00048 218 25 H 1S -0.00010 -0.00008 -0.00023 -0.00027 -0.00000 219 2S -0.00030 0.00030 -0.00026 0.00165 -0.00002 220 26 H 1S -0.00028 -0.00048 0.00000 0.00006 -0.00000 221 2S -0.00169 -0.00154 0.00000 0.00060 -0.00005 222 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2S -0.00003 -0.00001 0.00001 0.00001 -0.00000 224 28 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 226 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 227 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 228 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 229 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 230 3PX -0.00000 -0.00001 -0.00000 0.00000 0.00000 231 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 232 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 233 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 234 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 236 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 238 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 239 29 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 240 2S 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 241 30 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 242 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 243 31 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 244 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 247 33 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 34 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 250 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 86 87 88 89 90 86 4YY 0.00145 87 4ZZ 0.00009 0.00087 88 4XY -0.00000 0.00000 0.00135 89 4XZ -0.00000 0.00000 -0.00000 0.00090 90 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00055 91 7 C 1S 0.00002 0.00000 -0.00016 -0.00000 -0.00000 92 2S -0.00065 -0.00041 0.00146 0.00003 0.00003 93 2PX -0.00109 -0.00072 0.00207 0.00009 0.00008 94 2PY -0.00014 -0.00022 0.00009 0.00004 0.00000 95 2PZ -0.00002 0.00002 0.00005 0.00222 0.00048 96 3S -0.00081 -0.00057 0.00065 0.00001 0.00001 97 3PX -0.00021 -0.00031 0.00008 0.00001 0.00001 98 3PY -0.00047 -0.00019 0.00020 -0.00000 0.00001 99 3PZ -0.00005 -0.00004 0.00000 0.00143 0.00033 100 4XX -0.00012 -0.00003 -0.00017 0.00002 0.00000 101 4YY 0.00004 0.00001 0.00000 -0.00001 -0.00000 102 4ZZ 0.00001 0.00002 -0.00004 0.00000 0.00000 103 4XY 0.00000 -0.00003 0.00000 -0.00000 0.00000 104 4XZ -0.00001 0.00000 -0.00001 0.00005 0.00003 105 4YZ -0.00000 0.00000 -0.00000 0.00004 0.00000 106 8 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 107 2S -0.00000 0.00000 0.00000 0.00000 0.00000 108 2PX -0.00001 0.00000 0.00000 0.00001 -0.00000 109 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00000 110 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 111 3S -0.00006 0.00004 0.00001 0.00001 0.00000 112 3PX -0.00012 0.00000 0.00001 0.00004 0.00000 113 3PY 0.00000 0.00000 -0.00008 0.00000 -0.00000 114 3PZ -0.00001 -0.00001 0.00000 0.00006 -0.00000 115 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 116 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 117 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 118 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 120 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 121 9 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 122 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 123 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 124 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 125 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 126 3S -0.00000 -0.00000 0.00000 -0.00000 0.00000 127 3PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 128 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 129 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 130 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 131 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 132 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 133 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 134 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 135 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 136 10 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 137 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 138 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 139 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 140 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 141 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 142 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 143 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 144 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 145 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 146 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 147 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 148 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 149 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 150 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 153 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 155 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 156 3S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 157 3PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 158 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 159 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 168 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2S 0.00000 0.00000 0.00000 0.00000 0.00000 170 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 0.00000 0.00000 0.00000 0.00000 172 15 O 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 173 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 174 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 175 2PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 176 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 177 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 178 3PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 179 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 180 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 181 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 182 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 183 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 184 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 185 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 186 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 187 16 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 188 2S -0.00000 0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 190 2S 0.00007 0.00000 -0.00002 -0.00001 0.00000 191 18 H 1S 0.00009 0.00000 0.00010 0.00000 0.00000 192 2S 0.00086 0.00006 0.00021 0.00000 0.00000 193 19 C 1S -0.00014 0.00000 -0.00001 -0.00000 -0.00000 194 2S 0.00266 -0.00017 0.00018 0.00001 0.00007 195 2PX 0.00035 -0.00002 0.00102 0.00002 0.00001 196 2PY 0.00177 -0.00051 0.00044 0.00003 0.00017 197 2PZ 0.00016 0.00001 0.00002 0.00007 0.00113 198 3S 0.00450 -0.00040 0.00014 0.00001 0.00004 199 3PX 0.00027 -0.00005 0.00064 0.00001 0.00000 200 3PY 0.00169 -0.00050 0.00009 0.00001 0.00003 201 3PZ 0.00010 -0.00003 0.00000 0.00002 0.00066 202 4XX -0.00002 0.00000 0.00000 -0.00000 0.00000 203 4YY 0.00001 -0.00004 -0.00003 -0.00000 0.00000 204 4ZZ -0.00002 0.00001 0.00001 -0.00000 0.00000 205 4XY -0.00002 -0.00000 -0.00013 -0.00000 -0.00000 206 4XZ -0.00000 -0.00000 -0.00001 0.00001 -0.00002 207 4YZ -0.00001 0.00000 -0.00001 -0.00002 -0.00010 208 20 H 1S 0.00005 0.00000 0.00004 0.00000 0.00001 209 2S 0.00009 0.00006 0.00021 0.00001 0.00002 210 21 H 1S -0.00000 0.00000 0.00004 0.00002 0.00005 211 2S -0.00032 0.00008 0.00013 0.00010 0.00019 212 22 H 1S 0.00004 -0.00000 0.00003 0.00001 0.00005 213 2S 0.00001 0.00004 0.00010 0.00005 0.00022 214 23 H 1S -0.00001 0.00001 -0.00001 0.00007 0.00000 215 2S -0.00026 0.00025 -0.00007 0.00029 -0.00001 216 24 H 1S 0.00009 0.00000 0.00003 0.00000 0.00002 217 2S 0.00089 0.00010 0.00000 -0.00000 0.00007 218 25 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 219 2S -0.00003 0.00004 -0.00002 -0.00003 0.00001 220 26 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 221 2S 0.00002 0.00001 -0.00000 -0.00000 -0.00000 222 27 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 223 2S 0.00000 0.00000 0.00000 0.00000 0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 226 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 227 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 230 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 231 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 233 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 234 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 235 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 236 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 237 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 238 4YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 239 29 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 240 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 243 31 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 244 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 91 92 93 94 95 91 7 C 1S 2.05307 92 2S -0.01377 0.32496 93 2PX 0.00000 0.00000 0.40639 94 2PY 0.00000 0.00000 -0.00000 0.43101 95 2PZ 0.00000 0.00000 0.00000 -0.00000 0.34031 96 3S -0.03176 0.21841 0.00000 0.00000 0.00000 97 3PX 0.00000 0.00000 0.07076 0.00000 -0.00000 98 3PY 0.00000 0.00000 0.00000 0.08145 0.00000 99 3PZ 0.00000 0.00000 -0.00000 0.00000 0.12985 100 4XX -0.00132 -0.00243 0.00000 0.00000 0.00000 101 4YY -0.00159 0.00122 0.00000 0.00000 0.00000 102 4ZZ -0.00093 -0.01071 0.00000 0.00000 0.00000 103 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 -0.00037 -0.00153 -0.00050 -0.00011 107 2S -0.00036 0.00867 0.02588 0.00888 0.00189 108 2PX -0.00152 0.02567 0.04304 0.01952 0.00604 109 2PY -0.00046 0.00782 0.01980 -0.00031 0.00206 110 2PZ -0.00011 0.00183 0.00605 0.00203 0.00657 111 3S -0.00024 0.00941 0.02777 0.00645 0.00179 112 3PX -0.00125 0.01763 0.00464 0.01148 0.00273 113 3PY -0.00021 0.00307 0.00629 0.00114 0.00080 114 3PZ -0.00008 0.00111 0.00224 0.00097 0.01219 115 4XX -0.00010 0.00164 -0.00072 0.00172 0.00044 116 4YY 0.00000 -0.00030 -0.00045 -0.00021 -0.00007 117 4ZZ 0.00000 -0.00024 -0.00041 -0.00010 0.00004 118 4XY -0.00010 0.00127 0.00161 -0.00003 0.00024 119 4XZ -0.00002 0.00027 0.00036 0.00025 0.00093 120 4YZ -0.00001 0.00007 0.00017 -0.00001 0.00013 121 9 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 -0.00005 -0.00022 -0.00000 -0.00001 123 2PX 0.00000 -0.00022 -0.00071 -0.00000 -0.00005 124 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 125 2PZ 0.00000 -0.00001 -0.00004 -0.00000 -0.00002 126 3S -0.00001 0.00005 -0.00230 0.00008 -0.00002 127 3PX 0.00009 -0.00150 -0.00437 0.00016 -0.00036 128 3PY -0.00000 0.00002 0.00028 0.00008 -0.00000 129 3PZ 0.00000 -0.00005 -0.00029 -0.00000 -0.00125 130 4XX -0.00000 0.00002 0.00010 0.00000 0.00001 131 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 132 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 133 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 134 4XZ -0.00000 0.00000 0.00001 0.00000 0.00000 135 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 136 10 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 137 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 138 2PX 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 139 2PY 0.00000 -0.00000 -0.00001 0.00000 0.00000 140 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 141 3S 0.00000 -0.00012 -0.00069 0.00018 -0.00002 142 3PX 0.00001 -0.00021 -0.00013 0.00031 -0.00003 143 3PY 0.00001 -0.00019 -0.00062 -0.00002 -0.00000 144 3PZ -0.00000 0.00000 0.00000 0.00001 -0.00009 145 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 146 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 147 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 148 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 149 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 150 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 152 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 153 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 154 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 155 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 156 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 157 3PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 158 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 159 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 160 4XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 161 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 162 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 163 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 164 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 165 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 166 12 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 167 2S -0.00000 0.00000 0.00000 0.00000 0.00000 168 13 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 169 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 170 14 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 171 2S -0.00000 0.00000 0.00000 0.00000 0.00000 172 15 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 173 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 174 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 175 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 176 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 177 3S 0.00000 -0.00002 -0.00002 -0.00023 0.00000 178 3PX 0.00000 -0.00010 -0.00005 -0.00041 0.00000 179 3PY 0.00000 -0.00004 0.00006 -0.00035 0.00000 180 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00004 181 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 182 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 183 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 184 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 185 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 186 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 188 2S -0.00000 0.00010 0.00039 0.00004 0.00002 189 17 H 1S 0.00000 -0.00018 -0.00024 -0.00045 -0.00004 190 2S 0.00020 -0.00354 -0.00301 -0.00832 -0.00055 191 18 H 1S -0.00204 0.03182 0.00042 0.09812 0.00213 192 2S -0.00056 0.00690 0.00015 0.05253 0.00103 193 19 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 -0.00004 -0.00007 -0.00012 -0.00000 195 2PX 0.00000 -0.00007 -0.00006 -0.00013 0.00000 196 2PY 0.00000 -0.00015 -0.00025 -0.00032 -0.00000 197 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00004 198 3S 0.00006 -0.00144 -0.00123 -0.00330 -0.00001 199 3PX 0.00004 -0.00097 -0.00008 -0.00120 0.00000 200 3PY 0.00012 -0.00239 -0.00264 -0.00385 -0.00001 201 3PZ 0.00000 -0.00000 -0.00001 -0.00001 0.00007 202 4XX -0.00000 0.00000 0.00000 0.00001 -0.00000 203 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 204 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 205 4XY -0.00000 0.00001 0.00003 0.00004 -0.00000 206 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00001 207 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00001 208 20 H 1S 0.00000 -0.00000 -0.00000 -0.00002 0.00000 209 2S 0.00002 -0.00032 -0.00025 -0.00059 0.00002 210 21 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 211 2S -0.00000 0.00012 0.00008 0.00027 -0.00024 212 22 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 213 2S -0.00000 0.00011 0.00025 0.00009 -0.00022 214 23 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 215 2S -0.00001 0.00018 0.00056 -0.00001 -0.00022 216 24 H 1S 0.00000 -0.00002 -0.00004 -0.00001 -0.00001 217 2S 0.00002 -0.00055 -0.00111 0.00046 -0.00015 218 25 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 219 2S -0.00000 0.00004 0.00015 0.00003 0.00011 220 26 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 221 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 222 27 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 223 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 226 2PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 227 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 231 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 240 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S -0.00000 0.00000 0.00000 0.00000 0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 96 97 98 99 100 96 3S 0.28164 97 3PX 0.00000 0.07242 98 3PY 0.00000 0.00000 0.06331 99 3PZ 0.00000 -0.00000 0.00000 0.15970 100 4XX -0.00326 0.00000 0.00000 0.00000 0.00131 101 4YY 0.00377 0.00000 0.00000 0.00000 -0.00032 102 4ZZ -0.00713 0.00000 0.00000 0.00000 0.00007 103 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00036 -0.00149 -0.00029 -0.00009 -0.00010 107 2S 0.00131 0.02002 0.00398 0.00123 0.00172 108 2PX 0.01976 0.00472 0.00434 0.00197 -0.00068 109 2PY 0.00751 0.01137 -0.00257 0.00111 0.00170 110 2PZ 0.00142 0.00263 0.00075 0.01047 0.00032 111 3S -0.00470 0.00915 0.00216 0.00052 0.00237 112 3PX 0.00942 -0.00013 0.00170 0.00110 -0.00007 113 3PY 0.00332 0.00369 0.00034 0.00062 0.00065 114 3PZ 0.00061 0.00134 0.00044 0.01651 0.00026 115 4XX 0.00210 0.00023 0.00076 0.00044 0.00010 116 4YY -0.00067 -0.00156 -0.00064 -0.00009 -0.00015 117 4ZZ -0.00018 -0.00029 0.00005 -0.00021 -0.00004 118 4XY 0.00063 0.00008 0.00008 0.00006 -0.00008 119 4XZ 0.00010 0.00005 0.00005 0.00098 -0.00002 120 4YZ 0.00003 0.00001 0.00001 0.00011 -0.00001 121 9 C 1S -0.00003 0.00004 -0.00000 -0.00000 -0.00000 122 2S -0.00006 -0.00139 0.00002 -0.00004 0.00002 123 2PX -0.00406 0.00053 -0.00008 -0.00030 0.00011 124 2PY -0.00006 -0.00026 0.00085 -0.00002 -0.00000 125 2PZ -0.00018 -0.00045 -0.00002 -0.00101 0.00001 126 3S 0.00503 -0.00989 0.00001 -0.00033 0.00014 127 3PX -0.00898 0.00267 -0.00001 -0.00090 0.00025 128 3PY 0.00011 -0.00028 0.00171 -0.00005 -0.00001 129 3PZ -0.00020 -0.00123 -0.00004 -0.00683 0.00012 130 4XX 0.00020 0.00064 0.00002 0.00007 0.00000 131 4YY -0.00005 -0.00021 -0.00000 -0.00002 -0.00000 132 4ZZ 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 133 4XY 0.00001 0.00002 -0.00004 0.00000 -0.00000 134 4XZ 0.00002 0.00006 0.00000 0.00005 0.00000 135 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 136 10 C 1S 0.00000 0.00002 -0.00001 0.00000 0.00000 137 2S -0.00006 -0.00060 0.00029 -0.00002 -0.00000 138 2PX -0.00004 -0.00021 0.00081 -0.00005 -0.00000 139 2PY -0.00035 -0.00040 -0.00002 -0.00000 -0.00000 140 2PZ 0.00001 -0.00001 0.00002 -0.00009 0.00000 141 3S -0.00131 -0.00392 0.00145 -0.00013 -0.00002 142 3PX -0.00182 0.00145 0.00042 -0.00002 0.00002 143 3PY -0.00233 0.00098 -0.00002 0.00005 -0.00001 144 3PZ 0.00004 -0.00004 0.00003 -0.00041 0.00000 145 4XX -0.00010 0.00030 -0.00010 0.00001 0.00000 146 4YY 0.00005 -0.00016 0.00003 -0.00000 -0.00000 147 4ZZ -0.00000 0.00001 -0.00001 -0.00000 -0.00000 148 4XY -0.00003 -0.00002 -0.00000 -0.00000 0.00000 149 4XZ -0.00000 0.00001 -0.00000 0.00000 0.00000 150 4YZ -0.00000 0.00000 -0.00000 -0.00001 0.00000 151 11 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 152 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 153 2PX -0.00000 0.00001 -0.00001 0.00000 0.00000 154 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 155 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 156 3S -0.00008 0.00026 -0.00007 0.00001 0.00000 157 3PX -0.00010 0.00037 -0.00017 0.00002 0.00000 158 3PY 0.00002 -0.00000 -0.00000 0.00000 0.00000 159 3PZ -0.00000 0.00001 -0.00000 0.00000 -0.00000 160 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 161 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 162 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 163 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 164 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 165 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 166 12 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 167 2S 0.00000 -0.00001 0.00000 -0.00000 -0.00000 168 13 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 169 2S 0.00001 -0.00002 0.00001 -0.00000 -0.00000 170 14 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 171 2S 0.00001 -0.00002 0.00001 0.00000 -0.00000 172 15 O 1S 0.00001 -0.00002 0.00003 -0.00000 -0.00000 173 2S -0.00010 0.00036 -0.00045 0.00000 0.00000 174 2PX -0.00069 0.00093 -0.00116 0.00001 0.00000 175 2PY -0.00032 0.00106 0.00001 0.00000 -0.00000 176 2PZ -0.00000 0.00000 -0.00000 0.00010 -0.00000 177 3S -0.00134 0.00246 -0.00410 0.00002 0.00000 178 3PX -0.00451 0.00412 -0.00541 0.00004 0.00001 179 3PY -0.00252 0.00610 -0.00086 0.00001 -0.00000 180 3PZ -0.00001 0.00001 -0.00002 0.00094 -0.00000 181 4XX 0.00009 -0.00011 0.00013 -0.00000 -0.00000 182 4YY -0.00006 0.00010 0.00003 0.00000 -0.00000 183 4ZZ -0.00000 -0.00001 0.00000 0.00000 0.00000 184 4XY -0.00001 0.00002 -0.00004 0.00000 0.00000 185 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 186 4YZ 0.00000 -0.00000 -0.00000 0.00001 -0.00000 187 16 H 1S 0.00011 0.00018 0.00004 0.00001 -0.00000 188 2S 0.00147 0.00257 0.00034 0.00015 -0.00001 189 17 H 1S -0.00281 -0.00338 -0.00316 -0.00038 -0.00002 190 2S -0.00842 -0.00996 -0.01289 -0.00119 -0.00053 191 18 H 1S 0.05215 -0.00048 0.04794 0.00128 -0.00123 192 2S 0.01719 0.00030 0.02824 0.00031 -0.00294 193 19 C 1S 0.00003 0.00004 0.00003 -0.00000 0.00000 194 2S -0.00074 -0.00050 -0.00101 -0.00000 -0.00000 195 2PX -0.00136 -0.00036 -0.00061 0.00001 -0.00000 196 2PY -0.00085 -0.00380 0.00096 0.00001 -0.00002 197 2PZ 0.00001 0.00001 -0.00000 -0.00097 -0.00000 198 3S -0.00347 -0.00341 -0.00375 0.00000 -0.00017 199 3PX -0.00342 -0.00024 -0.00104 0.00002 -0.00002 200 3PY -0.00247 -0.00694 -0.00027 0.00003 -0.00038 201 3PZ 0.00002 -0.00001 0.00001 -0.00054 -0.00000 202 4XX 0.00001 0.00006 -0.00001 -0.00000 0.00000 203 4YY -0.00006 -0.00010 0.00007 0.00001 0.00000 204 4ZZ 0.00005 0.00006 -0.00000 -0.00000 0.00000 205 4XY 0.00009 0.00001 0.00013 -0.00000 -0.00000 206 4XZ 0.00000 -0.00000 0.00000 0.00009 -0.00000 207 4YZ -0.00000 -0.00000 0.00000 0.00019 -0.00000 208 20 H 1S -0.00051 0.00010 -0.00096 -0.00001 0.00000 209 2S -0.00251 0.00024 -0.00328 -0.00005 0.00002 210 21 H 1S 0.00004 0.00004 0.00004 -0.00017 -0.00000 211 2S 0.00057 0.00003 0.00087 -0.00179 -0.00000 212 22 H 1S 0.00007 0.00018 -0.00006 -0.00014 0.00000 213 2S 0.00091 0.00160 -0.00032 -0.00165 0.00001 214 23 H 1S 0.00014 0.00006 0.00000 -0.00018 -0.00000 215 2S 0.00200 0.00155 -0.00005 -0.00199 -0.00002 216 24 H 1S -0.00097 0.00055 -0.00028 -0.00021 -0.00000 217 2S -0.00299 0.00032 0.00022 -0.00036 -0.00010 218 25 H 1S 0.00004 -0.00001 -0.00001 0.00001 -0.00000 219 2S 0.00077 0.00067 0.00008 0.00110 -0.00001 220 26 H 1S -0.00000 0.00001 -0.00000 -0.00000 -0.00000 221 2S -0.00012 0.00008 0.00000 0.00003 -0.00000 222 27 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 223 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 226 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 227 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 230 3PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 231 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 232 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 235 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 237 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 238 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 239 29 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 240 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 241 30 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 242 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 245 32 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 246 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 249 34 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 250 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 101 102 103 104 105 101 4YY 0.00180 102 4ZZ -0.00000 0.00089 103 4XY -0.00000 0.00000 0.00099 104 4XZ -0.00000 0.00000 -0.00000 0.00071 105 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00031 106 8 C 1S 0.00000 0.00000 -0.00010 -0.00002 -0.00001 107 2S -0.00035 -0.00023 0.00133 0.00027 0.00007 108 2PX -0.00037 -0.00041 0.00193 0.00032 0.00021 109 2PY -0.00019 -0.00013 -0.00002 0.00023 -0.00000 110 2PZ -0.00004 0.00003 0.00025 0.00060 0.00018 111 3S -0.00103 -0.00033 0.00075 0.00013 0.00003 112 3PX -0.00086 -0.00034 0.00012 0.00003 0.00003 113 3PY -0.00039 -0.00001 0.00003 0.00004 0.00000 114 3PZ -0.00001 -0.00015 0.00005 0.00056 0.00015 115 4XX -0.00014 -0.00004 -0.00007 -0.00002 -0.00001 116 4YY 0.00004 0.00000 0.00000 -0.00001 0.00000 117 4ZZ 0.00000 0.00001 -0.00003 -0.00000 0.00000 118 4XY 0.00001 -0.00003 0.00001 -0.00000 0.00000 119 4XZ -0.00000 -0.00000 -0.00000 -0.00009 0.00002 120 4YZ 0.00000 0.00000 0.00000 0.00001 -0.00000 121 9 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 122 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 123 2PX -0.00001 0.00000 -0.00000 0.00001 -0.00000 124 2PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 125 2PZ -0.00000 0.00000 0.00000 0.00001 0.00000 126 3S -0.00008 -0.00001 -0.00001 0.00000 -0.00000 127 3PX -0.00014 0.00006 -0.00001 0.00005 -0.00000 128 3PY 0.00000 0.00000 -0.00006 0.00000 -0.00000 129 3PZ -0.00000 -0.00003 0.00000 0.00024 -0.00000 130 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 131 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 132 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 133 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 134 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 136 10 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 137 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 140 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 141 3S 0.00002 0.00000 0.00001 -0.00000 -0.00000 142 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 143 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 144 3PZ -0.00000 -0.00000 -0.00000 0.00001 0.00000 145 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 146 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 147 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 148 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 149 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 150 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 151 11 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 152 2S -0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 156 3S -0.00000 0.00000 0.00000 0.00000 0.00000 157 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 158 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 159 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 162 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 164 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 165 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 166 12 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 167 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 13 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 169 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 170 14 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 171 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 172 15 O 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 173 2S -0.00000 0.00000 0.00000 0.00000 0.00000 174 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 175 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 176 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 177 3S -0.00001 0.00000 -0.00000 0.00000 0.00000 178 3PX -0.00002 0.00000 0.00001 -0.00000 0.00000 179 3PY -0.00001 0.00000 0.00001 0.00000 0.00000 180 3PZ -0.00000 0.00000 0.00000 -0.00001 0.00000 181 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 182 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 183 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 184 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 185 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 186 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 187 16 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 188 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 189 17 H 1S 0.00007 0.00000 0.00004 -0.00000 0.00001 190 2S 0.00098 0.00007 0.00007 -0.00002 0.00003 191 18 H 1S 0.00720 -0.00072 0.00008 0.00001 0.00030 192 2S 0.00555 -0.00049 0.00002 0.00000 0.00004 193 19 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 2S 0.00001 0.00000 0.00001 0.00000 0.00000 195 2PX 0.00001 -0.00000 0.00001 0.00000 -0.00000 196 2PY 0.00006 -0.00000 0.00004 0.00000 0.00000 197 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 198 3S 0.00036 0.00002 0.00009 0.00000 0.00000 199 3PX 0.00016 -0.00000 0.00006 0.00000 -0.00000 200 3PY 0.00066 0.00002 0.00013 0.00000 0.00000 201 3PZ 0.00000 0.00000 -0.00000 0.00001 0.00002 202 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 203 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 204 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 205 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 206 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 207 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 208 20 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 209 2S -0.00002 0.00001 -0.00002 -0.00000 0.00000 210 21 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 211 2S -0.00001 0.00000 -0.00000 -0.00000 -0.00000 212 22 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 213 2S -0.00002 -0.00000 -0.00001 -0.00000 -0.00000 214 23 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 215 2S 0.00000 -0.00000 0.00000 -0.00001 -0.00000 216 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00010 0.00000 -0.00000 -0.00000 0.00001 218 25 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 219 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 220 26 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 221 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 222 27 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 223 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S 0.00000 -0.00000 0.00000 0.00000 -0.00000 230 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 231 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 232 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 240 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 106 107 108 109 110 106 8 C 1S 2.05342 107 2S -0.01461 0.33744 108 2PX 0.00000 0.00000 0.42777 109 2PY 0.00000 0.00000 -0.00000 0.42478 110 2PZ 0.00000 0.00000 0.00000 -0.00000 0.30773 111 3S -0.03075 0.21558 0.00000 0.00000 0.00000 112 3PX 0.00000 0.00000 0.07848 -0.00000 -0.00000 113 3PY 0.00000 0.00000 0.00000 0.07470 0.00000 114 3PZ 0.00000 0.00000 -0.00000 0.00000 0.10849 115 4XX -0.00132 -0.00236 0.00000 0.00000 0.00000 116 4YY -0.00155 0.00062 0.00000 0.00000 0.00000 117 4ZZ -0.00091 -0.01105 0.00000 0.00000 0.00000 118 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 119 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 121 9 C 1S 0.00000 -0.00072 -0.00270 -0.00069 -0.00003 122 2S -0.00071 0.01368 0.03744 0.00944 0.00040 123 2PX -0.00284 0.03966 0.06016 0.02428 0.00288 124 2PY -0.00052 0.00742 0.02058 -0.00101 -0.00045 125 2PZ -0.00004 0.00052 0.00302 -0.00038 0.02817 126 3S 0.00007 0.00781 0.01902 0.00899 0.00004 127 3PX -0.00132 0.01871 0.00567 0.00430 0.00155 128 3PY -0.00037 0.00299 0.01103 0.00225 -0.00026 129 3PZ -0.00001 0.00026 0.00133 -0.00039 0.04390 130 4XX -0.00017 0.00211 -0.00043 0.00192 0.00007 131 4YY 0.00001 -0.00060 -0.00102 -0.00009 0.00000 132 4ZZ 0.00000 -0.00042 -0.00072 -0.00018 0.00002 133 4XY -0.00013 0.00127 0.00186 0.00017 0.00005 134 4XZ -0.00000 0.00005 0.00006 0.00006 0.00143 135 4YZ -0.00000 0.00003 0.00007 -0.00000 0.00024 136 10 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 137 2S 0.00000 -0.00004 -0.00007 -0.00012 -0.00000 138 2PX 0.00000 -0.00007 -0.00009 -0.00011 -0.00000 139 2PY 0.00000 -0.00015 -0.00026 -0.00031 0.00000 140 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00003 141 3S 0.00001 -0.00062 0.00044 -0.00331 -0.00001 142 3PX -0.00003 0.00038 0.00099 0.00121 -0.00000 143 3PY 0.00003 -0.00091 0.00029 -0.00339 -0.00001 144 3PZ 0.00000 -0.00000 -0.00001 -0.00001 0.00035 145 4XX -0.00000 0.00001 0.00001 0.00002 -0.00000 146 4YY 0.00000 -0.00000 0.00000 0.00001 0.00000 147 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 148 4XY -0.00000 0.00001 0.00003 0.00003 -0.00000 149 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 150 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00001 151 11 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 152 2S -0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 154 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 156 3S -0.00000 0.00003 0.00007 0.00004 0.00000 157 3PX -0.00000 0.00006 0.00012 0.00009 -0.00000 158 3PY -0.00000 0.00001 -0.00001 0.00002 0.00000 159 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00001 160 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 162 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 164 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 165 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 166 12 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 167 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 13 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 169 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 170 14 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 171 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 172 15 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 173 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 174 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 175 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 176 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 177 3S 0.00000 -0.00002 -0.00005 -0.00010 0.00000 178 3PX -0.00000 0.00001 -0.00001 0.00000 0.00001 179 3PY 0.00000 -0.00008 -0.00008 -0.00014 -0.00003 180 3PZ 0.00000 -0.00000 0.00001 -0.00003 -0.00015 181 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 182 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 183 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 184 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 185 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 186 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 187 16 H 1S 0.00000 -0.00027 -0.00081 -0.00000 -0.00003 188 2S 0.00026 -0.00394 -0.01043 -0.00001 -0.00037 189 17 H 1S -0.00192 0.03062 0.00019 0.09879 0.00208 190 2S -0.00066 0.00791 0.00003 0.06390 0.00144 191 18 H 1S 0.00000 -0.00023 -0.00024 -0.00041 -0.00004 192 2S 0.00020 -0.00369 -0.00307 -0.00578 -0.00048 193 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 195 2PX 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 196 2PY 0.00000 -0.00000 -0.00001 0.00000 -0.00000 197 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 3S 0.00001 -0.00015 -0.00065 -0.00008 -0.00001 199 3PX 0.00002 -0.00047 -0.00079 -0.00039 -0.00001 200 3PY -0.00000 0.00002 -0.00027 0.00015 -0.00001 201 3PZ 0.00000 -0.00001 -0.00000 -0.00001 0.00001 202 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 203 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 204 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 205 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 206 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 207 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 208 20 H 1S 0.00000 -0.00000 -0.00000 -0.00001 0.00000 209 2S -0.00001 0.00014 0.00052 -0.00014 0.00001 210 21 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 211 2S -0.00000 0.00001 0.00000 0.00001 -0.00000 212 22 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 213 2S -0.00000 0.00001 0.00001 0.00001 -0.00001 214 23 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 215 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 216 24 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 217 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 218 25 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 220 26 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 221 2S -0.00000 0.00000 0.00000 0.00000 0.00000 222 27 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 223 2S -0.00000 0.00000 0.00000 0.00000 0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 231 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 240 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S -0.00000 0.00000 0.00000 0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S -0.00000 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 3S 0.26816 112 3PX 0.00000 0.06264 113 3PY 0.00000 -0.00000 0.05100 114 3PZ 0.00000 -0.00000 0.00000 0.12138 115 4XX -0.00260 0.00000 0.00000 0.00000 0.00142 116 4YY 0.00208 0.00000 0.00000 0.00000 -0.00036 117 4ZZ -0.00695 0.00000 0.00000 0.00000 0.00007 118 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 120 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 121 9 C 1S 0.00019 -0.00174 -0.00010 -0.00003 -0.00018 122 2S 0.00826 0.01907 0.00391 0.00024 0.00209 123 2PX 0.02721 0.00608 0.00531 0.00145 -0.00114 124 2PY 0.00164 0.01110 -0.00005 -0.00026 0.00194 125 2PZ 0.00047 0.00123 -0.00038 0.04049 0.00014 126 3S -0.00827 0.00038 0.00261 -0.00011 0.00262 127 3PX 0.00325 -0.00003 0.00007 0.00133 -0.00068 128 3PY -0.00371 0.00731 0.00272 -0.00035 0.00075 129 3PZ 0.00018 0.00106 -0.00050 0.06968 0.00017 130 4XX 0.00181 0.00030 0.00056 0.00010 0.00014 131 4YY -0.00111 -0.00123 -0.00047 -0.00003 -0.00012 132 4ZZ -0.00053 -0.00052 -0.00011 -0.00004 -0.00003 133 4XY 0.00056 0.00007 0.00020 0.00000 -0.00022 134 4XZ 0.00000 0.00001 -0.00000 0.00082 0.00002 135 4YZ 0.00001 0.00001 0.00000 0.00016 -0.00001 136 10 C 1S 0.00007 0.00016 0.00007 -0.00000 0.00000 137 2S -0.00100 -0.00238 -0.00112 0.00000 -0.00001 138 2PX -0.00247 -0.00198 -0.00184 0.00000 -0.00000 139 2PY -0.00008 -0.00143 -0.00009 0.00001 -0.00001 140 2PZ 0.00001 0.00000 0.00001 0.00039 -0.00000 141 3S -0.00143 -0.00286 -0.00465 -0.00000 -0.00020 142 3PX -0.00011 0.00063 0.00182 -0.00000 -0.00001 143 3PY -0.00461 -0.00082 -0.00223 -0.00000 -0.00016 144 3PZ -0.00001 -0.00001 -0.00001 0.00061 -0.00000 145 4XX -0.00000 0.00025 0.00016 -0.00000 0.00000 146 4YY 0.00008 -0.00012 -0.00006 0.00000 0.00000 147 4ZZ 0.00005 0.00005 0.00007 -0.00000 -0.00000 148 4XY 0.00014 0.00007 0.00014 -0.00000 -0.00000 149 4XZ 0.00000 -0.00000 0.00000 -0.00001 -0.00000 150 4YZ -0.00000 -0.00000 0.00000 0.00021 -0.00000 151 11 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 152 2S 0.00001 0.00005 0.00001 0.00000 -0.00000 153 2PX 0.00004 0.00016 0.00007 0.00000 0.00000 154 2PY 0.00004 0.00008 0.00001 0.00000 -0.00000 155 2PZ -0.00000 -0.00000 0.00000 -0.00001 -0.00000 156 3S 0.00017 0.00114 0.00041 0.00001 0.00000 157 3PX 0.00053 0.00156 0.00071 -0.00000 0.00000 158 3PY 0.00044 0.00048 0.00011 0.00001 0.00000 159 3PZ 0.00000 0.00000 0.00001 -0.00021 -0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 161 4YY -0.00000 -0.00001 -0.00000 -0.00000 0.00000 162 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 163 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 164 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 166 12 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 167 2S -0.00003 -0.00008 -0.00002 -0.00000 -0.00000 168 13 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 169 2S 0.00002 -0.00006 -0.00004 -0.00000 0.00000 170 14 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 171 2S 0.00002 -0.00007 -0.00003 0.00000 -0.00000 172 15 O 1S 0.00000 -0.00000 0.00001 0.00000 -0.00000 173 2S -0.00013 0.00005 -0.00022 -0.00001 0.00000 174 2PX -0.00002 -0.00006 0.00012 0.00001 0.00000 175 2PY -0.00070 -0.00022 -0.00027 -0.00002 0.00000 176 2PZ -0.00001 0.00000 -0.00005 -0.00023 0.00000 177 3S -0.00057 0.00039 -0.00089 -0.00004 0.00000 178 3PX -0.00023 -0.00056 0.00056 0.00004 0.00000 179 3PY -0.00467 -0.00091 -0.00077 -0.00015 0.00001 180 3PZ -0.00006 0.00002 -0.00026 -0.00191 0.00000 181 4XX 0.00002 0.00000 0.00001 -0.00000 -0.00000 182 4YY -0.00010 -0.00004 -0.00003 -0.00000 -0.00000 183 4ZZ 0.00001 0.00001 0.00001 0.00000 0.00000 184 4XY 0.00001 -0.00001 0.00002 0.00000 -0.00000 185 4XZ 0.00000 -0.00000 0.00000 0.00001 -0.00000 186 4YZ -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 187 16 H 1S -0.00396 0.00012 -0.00000 0.00000 0.00016 188 2S -0.01366 -0.00683 -0.00001 -0.00024 0.00093 189 17 H 1S 0.03730 0.00030 0.04524 0.00080 -0.00134 190 2S 0.01595 0.00021 0.04044 0.00079 -0.00381 191 18 H 1S -0.00238 -0.00308 0.00008 -0.00022 -0.00002 192 2S -0.01016 -0.00939 -0.00296 -0.00083 -0.00044 193 19 C 1S 0.00001 0.00000 0.00001 -0.00000 0.00000 194 2S -0.00024 0.00012 -0.00008 0.00000 -0.00000 195 2PX -0.00080 0.00081 -0.00043 0.00003 0.00000 196 2PY -0.00041 -0.00069 0.00015 -0.00002 -0.00000 197 2PZ -0.00000 0.00004 -0.00001 -0.00004 -0.00000 198 3S -0.00228 -0.00175 -0.00009 -0.00003 -0.00002 199 3PX -0.00399 0.00113 -0.00112 0.00005 0.00001 200 3PY -0.00157 -0.00219 0.00020 -0.00008 -0.00007 201 3PZ -0.00002 0.00012 -0.00006 0.00011 0.00000 202 4XX 0.00001 0.00006 -0.00001 0.00000 0.00000 203 4YY -0.00002 -0.00002 -0.00000 -0.00000 0.00000 204 4ZZ 0.00002 -0.00001 0.00000 -0.00000 0.00000 205 4XY -0.00001 -0.00003 0.00002 -0.00000 0.00000 206 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 207 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 208 20 H 1S -0.00022 0.00105 -0.00093 0.00001 -0.00000 209 2S 0.00120 0.00374 -0.00255 0.00004 -0.00003 210 21 H 1S 0.00001 -0.00000 0.00000 -0.00000 -0.00000 211 2S 0.00022 -0.00002 0.00008 -0.00001 -0.00000 212 22 H 1S 0.00001 -0.00000 0.00000 -0.00000 0.00000 213 2S 0.00021 -0.00004 0.00008 -0.00005 0.00000 214 23 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 215 2S -0.00008 -0.00008 -0.00001 -0.00001 0.00000 216 24 H 1S 0.00000 0.00001 0.00001 0.00000 0.00000 217 2S 0.00004 0.00013 0.00002 -0.00000 -0.00000 218 25 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 219 2S -0.00003 -0.00005 -0.00001 0.00001 0.00000 220 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 221 2S 0.00000 0.00001 0.00000 0.00000 0.00000 222 27 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 223 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 226 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 227 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 229 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 231 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 232 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 233 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 234 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 238 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 239 29 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 240 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 243 31 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 244 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 245 32 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 246 2S 0.00000 0.00000 0.00000 0.00000 0.00000 247 33 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 248 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 249 34 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 250 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 116 117 118 119 120 116 4YY 0.00198 117 4ZZ -0.00000 0.00094 118 4XY -0.00000 0.00000 0.00090 119 4XZ -0.00000 0.00000 -0.00000 0.00099 120 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00023 121 9 C 1S 0.00002 0.00000 -0.00012 -0.00001 -0.00000 122 2S -0.00065 -0.00040 0.00122 0.00005 0.00003 123 2PX -0.00074 -0.00076 0.00228 0.00007 0.00008 124 2PY -0.00007 -0.00015 0.00015 0.00003 0.00000 125 2PZ -0.00001 0.00003 0.00004 0.00220 0.00033 126 3S -0.00139 -0.00056 0.00047 0.00001 0.00001 127 3PX -0.00020 -0.00042 0.00011 0.00001 0.00001 128 3PY -0.00037 -0.00017 0.00012 -0.00001 0.00000 129 3PZ -0.00002 -0.00008 -0.00000 0.00160 0.00021 130 4XX -0.00017 -0.00003 -0.00009 0.00002 0.00000 131 4YY 0.00004 0.00001 -0.00000 -0.00001 0.00000 132 4ZZ 0.00001 0.00002 -0.00003 0.00000 0.00000 133 4XY -0.00000 -0.00003 -0.00001 -0.00001 0.00000 134 4XZ -0.00001 0.00000 -0.00001 0.00002 0.00002 135 4YZ -0.00000 0.00000 -0.00000 0.00001 -0.00000 136 10 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 137 2S 0.00001 0.00000 0.00001 0.00000 0.00000 138 2PX 0.00002 0.00000 0.00001 -0.00000 -0.00000 139 2PY 0.00004 -0.00000 0.00005 0.00000 0.00000 140 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 141 3S 0.00036 0.00000 0.00010 0.00000 0.00000 142 3PX -0.00002 -0.00002 0.00004 -0.00000 -0.00000 143 3PY 0.00028 -0.00001 0.00007 0.00000 0.00000 144 3PZ 0.00000 0.00000 0.00000 0.00004 0.00002 145 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 146 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 147 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 148 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 149 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 150 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 151 11 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 152 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 153 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 154 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 155 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 156 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 157 3PX -0.00001 -0.00000 -0.00000 0.00000 0.00000 158 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 159 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 160 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 162 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 164 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 167 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 168 13 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 169 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 170 14 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 171 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 172 15 O 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 173 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 174 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 175 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 176 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 177 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 178 3PX -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 179 3PY -0.00003 0.00000 -0.00002 -0.00000 0.00000 180 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 4XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 182 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 183 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 184 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 185 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 186 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 187 16 H 1S -0.00001 0.00000 0.00001 0.00001 -0.00000 188 2S -0.00039 0.00012 0.00003 0.00005 0.00000 189 17 H 1S 0.00778 -0.00074 0.00002 0.00000 0.00033 190 2S 0.00713 -0.00067 0.00000 0.00000 0.00006 191 18 H 1S 0.00008 0.00000 0.00005 0.00000 0.00001 192 2S 0.00081 0.00004 0.00010 -0.00001 0.00003 193 19 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 194 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 195 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 196 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 197 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 198 3S 0.00001 0.00000 0.00000 -0.00000 -0.00000 199 3PX -0.00002 0.00001 0.00002 -0.00000 0.00000 200 3PY 0.00003 -0.00000 -0.00000 -0.00000 -0.00000 201 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 202 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 203 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 204 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 205 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 206 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 207 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 208 20 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 209 2S 0.00002 -0.00001 -0.00000 -0.00000 -0.00000 210 21 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 211 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 212 22 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 213 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 214 23 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 215 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 216 24 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 217 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 218 25 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 219 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 220 26 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 221 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 222 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 230 3PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 231 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 232 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 240 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 121 122 123 124 125 121 9 C 1S 2.05323 122 2S -0.01377 0.32459 123 2PX 0.00000 0.00000 0.41937 124 2PY 0.00000 0.00000 -0.00000 0.40607 125 2PZ 0.00000 0.00000 0.00000 -0.00000 0.35349 126 3S -0.03352 0.23562 0.00000 0.00000 0.00000 127 3PX 0.00000 0.00000 0.07480 0.00000 -0.00000 128 3PY 0.00000 0.00000 -0.00000 0.08993 0.00000 129 3PZ 0.00000 0.00000 -0.00000 0.00000 0.14354 130 4XX -0.00150 0.00015 0.00000 0.00000 0.00000 131 4YY -0.00143 -0.00135 0.00000 0.00000 0.00000 132 4ZZ -0.00095 -0.01038 0.00000 0.00000 0.00000 133 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 134 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 136 10 C 1S 0.00000 -0.00029 -0.00008 -0.00171 -0.00002 137 2S -0.00030 0.00774 0.00142 0.03191 0.00041 138 2PX -0.00012 0.00207 -0.00033 0.00726 -0.00006 139 2PY -0.00163 0.02866 0.00524 0.07351 0.00175 140 2PZ -0.00002 0.00030 -0.00009 0.00159 0.00744 141 3S 0.00011 0.00528 -0.00055 0.03384 0.00060 142 3PX 0.00007 0.00088 0.00609 -0.00060 -0.00005 143 3PY 0.00034 0.00176 0.00085 0.00683 0.00052 144 3PZ 0.00000 -0.00004 -0.00002 0.00063 0.01032 145 4XX 0.00001 -0.00069 0.00005 -0.00201 -0.00002 146 4YY -0.00021 0.00369 0.00075 0.00333 0.00021 147 4ZZ 0.00000 -0.00020 -0.00004 -0.00039 0.00002 148 4XY -0.00003 0.00047 0.00080 0.00116 0.00001 149 4XZ -0.00000 0.00002 0.00000 0.00007 0.00002 150 4YZ -0.00001 0.00007 0.00001 0.00017 0.00167 151 11 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 152 2S 0.00000 -0.00006 -0.00011 -0.00015 0.00000 153 2PX 0.00000 -0.00016 -0.00015 -0.00052 0.00000 154 2PY 0.00000 -0.00011 -0.00018 -0.00014 0.00000 155 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 156 3S 0.00013 -0.00245 -0.00276 -0.00468 0.00001 157 3PX 0.00018 -0.00261 -0.00149 -0.00620 0.00001 158 3PY 0.00006 -0.00113 -0.00019 -0.00062 0.00001 159 3PZ 0.00000 -0.00001 -0.00002 -0.00002 -0.00068 160 4XX 0.00000 -0.00000 -0.00001 0.00000 0.00000 161 4YY -0.00000 0.00001 0.00002 0.00001 -0.00000 162 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 163 4XY -0.00000 0.00001 0.00002 0.00003 -0.00000 164 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 165 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 166 12 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 167 2S -0.00000 0.00014 0.00015 0.00030 0.00000 168 13 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 169 2S -0.00000 0.00005 -0.00007 0.00011 -0.00005 170 14 H 1S 0.00000 -0.00000 -0.00001 0.00000 -0.00000 171 2S -0.00000 0.00005 -0.00010 0.00010 -0.00001 172 15 O 1S -0.00000 0.00000 0.00000 0.00000 0.00000 173 2S 0.00000 -0.00001 -0.00000 -0.00006 -0.00000 174 2PX -0.00000 0.00001 0.00000 0.00004 -0.00000 175 2PY 0.00000 -0.00011 0.00001 -0.00047 -0.00002 176 2PZ 0.00000 -0.00000 -0.00000 -0.00002 -0.00001 177 3S 0.00000 -0.00023 -0.00034 -0.00081 -0.00008 178 3PX -0.00002 0.00038 0.00015 0.00101 -0.00003 179 3PY 0.00012 -0.00356 -0.00015 -0.00829 -0.00050 180 3PZ 0.00000 -0.00004 -0.00006 -0.00031 -0.00071 181 4XX 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 182 4YY 0.00000 0.00000 0.00001 0.00005 0.00000 183 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 184 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 185 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 4YZ 0.00000 -0.00000 0.00000 0.00001 0.00000 187 16 H 1S -0.00195 0.03079 0.05801 0.03575 0.00523 188 2S -0.00114 0.01198 0.03738 0.02423 0.00343 189 17 H 1S 0.00000 -0.00030 -0.00035 -0.00052 0.00000 190 2S 0.00029 -0.00420 -0.00419 -0.00640 0.00000 191 18 H 1S 0.00000 -0.00000 -0.00002 0.00000 -0.00000 192 2S 0.00002 -0.00045 -0.00059 -0.00028 -0.00004 193 19 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 2S -0.00000 0.00000 0.00000 0.00000 0.00000 195 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 196 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 198 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 199 3PX -0.00000 0.00000 0.00001 0.00000 0.00000 200 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 201 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 202 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 203 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 204 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 205 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 206 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 207 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 208 20 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 -0.00000 -0.00001 -0.00001 0.00000 210 21 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 211 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 212 22 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 213 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00000 0.00000 0.00000 0.00000 0.00000 216 24 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 217 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 218 25 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 219 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 220 26 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 221 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 222 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 230 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 231 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 232 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 240 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 3S 0.36690 127 3PX 0.00000 0.06795 128 3PY 0.00000 -0.00000 0.08781 129 3PZ 0.00000 -0.00000 0.00000 0.18770 130 4XX -0.00104 0.00000 0.00000 0.00000 0.00099 131 4YY -0.00015 0.00000 0.00000 0.00000 -0.00015 132 4ZZ -0.00695 0.00000 0.00000 0.00000 0.00002 133 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 136 10 C 1S -0.00006 0.00053 -0.00030 -0.00005 0.00000 137 2S 0.00453 -0.00321 0.00879 0.00041 -0.00039 138 2PX 0.00600 0.00997 0.00327 0.00004 0.00004 139 2PY 0.03620 0.00485 0.02128 0.00074 -0.00112 140 2PZ 0.00011 0.00006 0.00088 0.01237 -0.00000 141 3S -0.01139 -0.00404 0.00726 0.00045 -0.00151 142 3PX -0.00036 0.00441 -0.00082 -0.00008 -0.00001 143 3PY -0.02203 -0.00209 -0.00207 0.00032 -0.00095 144 3PZ -0.00033 -0.00010 0.00021 0.01481 -0.00002 145 4XX -0.00502 -0.00025 -0.00471 -0.00004 0.00002 146 4YY 0.00888 0.00086 0.00444 0.00023 -0.00005 147 4ZZ -0.00036 0.00015 0.00026 -0.00009 0.00000 148 4XY 0.00016 -0.00005 0.00011 -0.00001 0.00000 149 4XZ 0.00002 -0.00002 0.00002 -0.00001 0.00000 150 4YZ 0.00008 -0.00001 0.00005 0.00159 0.00000 151 11 C 1S 0.00014 0.00010 0.00018 -0.00000 -0.00000 152 2S -0.00284 -0.00115 -0.00222 0.00000 0.00001 153 2PX -0.00575 0.00024 -0.00615 0.00003 0.00002 154 2PY -0.00255 0.00004 -0.00008 0.00000 0.00002 155 2PZ -0.00002 -0.00000 -0.00003 -0.00032 0.00000 156 3S -0.02323 -0.00508 -0.01617 0.00005 0.00024 157 3PX -0.01999 0.00017 -0.01499 0.00005 0.00027 158 3PY -0.00489 0.00228 0.00069 0.00003 0.00017 159 3PZ -0.00009 -0.00003 -0.00007 -0.00251 0.00000 160 4XX -0.00015 -0.00005 -0.00011 0.00000 0.00000 161 4YY 0.00028 0.00010 0.00012 -0.00000 -0.00000 162 4ZZ 0.00002 -0.00005 0.00007 -0.00000 -0.00000 163 4XY -0.00000 0.00007 0.00002 -0.00000 -0.00000 164 4XZ -0.00000 0.00000 -0.00000 0.00005 0.00000 165 4YZ -0.00000 0.00000 -0.00000 0.00002 0.00000 166 12 H 1S 0.00008 -0.00001 0.00002 0.00000 -0.00000 167 2S 0.00232 0.00068 0.00198 0.00000 -0.00001 168 13 H 1S 0.00005 -0.00021 0.00027 -0.00021 -0.00000 169 2S 0.00239 -0.00043 0.00202 -0.00009 -0.00001 170 14 H 1S 0.00005 -0.00036 0.00028 -0.00006 0.00000 171 2S 0.00241 -0.00037 0.00161 0.00025 -0.00000 172 15 O 1S -0.00001 0.00000 -0.00006 -0.00000 -0.00000 173 2S 0.00020 0.00016 0.00057 0.00004 0.00000 174 2PX 0.00100 -0.00016 0.00135 -0.00000 0.00000 175 2PY -0.00589 0.00199 -0.01057 -0.00024 0.00000 176 2PZ 0.00000 0.00002 -0.00035 -0.00100 -0.00000 177 3S 0.00020 -0.00111 0.00321 -0.00009 0.00002 178 3PX 0.00487 0.00013 0.00507 -0.00006 -0.00001 179 3PY -0.02827 0.00533 -0.03127 -0.00112 0.00007 180 3PZ 0.00001 -0.00005 -0.00119 -0.00605 -0.00001 181 4XX 0.00011 0.00000 0.00011 -0.00001 0.00000 182 4YY -0.00037 0.00023 -0.00066 0.00001 -0.00000 183 4ZZ 0.00003 -0.00001 0.00003 0.00001 0.00000 184 4XY -0.00001 -0.00011 -0.00005 0.00000 0.00000 185 4XZ 0.00000 -0.00000 -0.00000 -0.00001 0.00000 186 4YZ -0.00001 0.00001 -0.00003 -0.00002 -0.00000 187 16 H 1S 0.03400 0.02834 0.01522 0.00243 0.00193 188 2S 0.00565 0.02247 0.01817 0.00227 0.00236 189 17 H 1S -0.00369 -0.00014 -0.00043 0.00000 -0.00004 190 2S -0.00995 -0.00286 -0.00509 -0.00000 -0.00063 191 18 H 1S -0.00058 -0.00096 0.00001 -0.00005 -0.00000 192 2S -0.00663 -0.00313 -0.00172 -0.00023 -0.00003 193 19 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PX 0.00001 0.00001 0.00000 0.00000 0.00000 196 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 197 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 198 3S 0.00003 0.00007 0.00003 -0.00000 0.00000 199 3PX 0.00018 0.00019 0.00007 0.00000 0.00000 200 3PY 0.00000 0.00002 -0.00003 0.00000 -0.00000 201 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 202 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 203 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 205 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 206 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 207 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 208 20 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 209 2S 0.00006 -0.00004 -0.00003 0.00000 0.00000 210 21 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 211 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 212 22 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 213 2S -0.00000 -0.00001 0.00000 0.00001 -0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 216 24 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 217 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 218 25 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 219 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 220 26 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 221 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 222 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2S 0.00000 0.00000 0.00000 0.00000 0.00000 224 28 C 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 225 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 227 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 229 3S 0.00000 0.00000 -0.00000 0.00000 -0.00000 230 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 231 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 233 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 234 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 235 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 236 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 238 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 240 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 241 30 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 242 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 244 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 245 32 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 246 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 131 132 133 134 135 131 4YY 0.00112 132 4ZZ 0.00006 0.00081 133 4XY -0.00000 -0.00000 0.00153 134 4XZ -0.00000 -0.00000 -0.00000 0.00043 135 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00031 136 10 C 1S -0.00016 0.00000 -0.00003 -0.00000 -0.00000 137 2S 0.00282 -0.00022 0.00048 0.00001 0.00005 138 2PX 0.00063 -0.00004 0.00064 0.00000 0.00002 139 2PY 0.00189 -0.00055 0.00068 0.00003 0.00011 140 2PZ 0.00008 0.00001 0.00002 -0.00000 0.00073 141 3S 0.00300 -0.00038 0.00034 0.00001 0.00001 142 3PX -0.00019 -0.00004 0.00007 0.00000 -0.00001 143 3PY 0.00151 -0.00028 0.00006 0.00000 0.00002 144 3PZ 0.00011 -0.00002 -0.00000 0.00000 0.00046 145 4XX -0.00006 0.00001 0.00000 0.00000 -0.00000 146 4YY 0.00000 -0.00005 -0.00004 -0.00000 -0.00000 147 4ZZ -0.00006 0.00001 -0.00000 -0.00000 -0.00000 148 4XY -0.00005 -0.00001 -0.00012 -0.00000 -0.00000 149 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00002 150 4YZ 0.00000 0.00000 -0.00001 -0.00002 -0.00010 151 11 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 152 2S -0.00000 0.00000 0.00001 -0.00000 0.00000 153 2PX -0.00000 0.00000 0.00004 0.00000 0.00000 154 2PY -0.00000 0.00000 0.00003 -0.00000 0.00000 155 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 156 3S -0.00017 0.00003 0.00007 0.00000 0.00000 157 3PX -0.00019 0.00003 0.00013 0.00000 0.00000 158 3PY -0.00006 0.00001 0.00008 -0.00000 0.00000 159 3PZ -0.00000 -0.00000 0.00000 0.00003 0.00001 160 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 161 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 162 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 163 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 164 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 167 2S 0.00001 -0.00000 -0.00001 0.00000 0.00000 168 13 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 169 2S -0.00001 0.00001 -0.00001 0.00001 -0.00000 170 14 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 171 2S -0.00000 -0.00000 -0.00001 0.00000 -0.00000 172 15 O 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 173 2S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 175 2PY 0.00002 0.00000 0.00001 0.00000 0.00000 176 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 177 3S 0.00004 0.00001 0.00002 0.00000 0.00000 178 3PX 0.00003 0.00000 0.00000 0.00000 0.00001 179 3PY 0.00036 0.00002 0.00016 0.00000 0.00007 180 3PZ 0.00006 -0.00000 0.00001 -0.00001 0.00010 181 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 182 4YY 0.00001 -0.00000 0.00000 -0.00000 0.00000 183 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 184 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 185 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 186 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 187 16 H 1S -0.00017 -0.00067 0.00402 0.00050 0.00030 188 2S -0.00023 -0.00050 0.00092 0.00010 0.00006 189 17 H 1S 0.00011 0.00000 0.00012 0.00000 -0.00000 190 2S 0.00100 0.00007 0.00031 0.00000 0.00000 191 18 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 192 2S 0.00004 0.00000 -0.00002 -0.00000 0.00000 193 19 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 194 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 195 2PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 196 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 197 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 199 3PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 200 3PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 201 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 202 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 203 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 204 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 206 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 207 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 20 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 209 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 211 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 212 22 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 213 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 214 23 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 215 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 216 24 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 217 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 25 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 219 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 220 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 221 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 222 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 231 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 232 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 240 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 0.00000 0.00000 0.00000 0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 0.00000 0.00000 0.00000 0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S 0.00000 0.00000 0.00000 0.00000 0.00000 136 137 138 139 140 136 10 C 1S 2.05358 137 2S -0.01598 0.36055 138 2PX 0.00000 0.00000 0.42083 139 2PY 0.00000 0.00000 -0.00000 0.42244 140 2PZ 0.00000 0.00000 0.00000 -0.00000 0.27655 141 3S -0.02624 0.20734 0.00000 0.00000 0.00000 142 3PX 0.00000 0.00000 0.02094 -0.00000 -0.00000 143 3PY 0.00000 0.00000 -0.00000 0.03153 0.00000 144 3PZ 0.00000 0.00000 -0.00000 0.00000 0.08090 145 4XX -0.00115 -0.00543 0.00000 0.00000 0.00000 146 4YY -0.00117 -0.00401 0.00000 0.00000 0.00000 147 4ZZ -0.00081 -0.01279 0.00000 0.00000 0.00000 148 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 149 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 150 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 151 11 C 1S 0.00000 -0.00019 -0.00116 -0.00008 -0.00002 152 2S -0.00019 0.00509 0.02156 0.00160 0.00041 153 2PX -0.00132 0.02753 0.06900 0.00592 0.00208 154 2PY -0.00007 0.00153 0.00553 -0.00045 0.00006 155 2PZ -0.00003 0.00056 0.00211 0.00007 0.00228 156 3S 0.00017 0.00092 0.04136 0.00329 0.00076 157 3PX -0.00161 0.02048 0.03241 0.00462 0.00141 158 3PY 0.00008 -0.00018 0.00414 0.00114 0.00008 159 3PZ -0.00005 0.00054 0.00145 0.00009 0.00298 160 4XX -0.00012 0.00256 0.00203 0.00052 0.00014 161 4YY 0.00000 -0.00027 -0.00070 0.00002 -0.00001 162 4ZZ 0.00000 -0.00028 -0.00063 -0.00002 0.00001 163 4XY -0.00002 0.00035 0.00070 0.00049 0.00003 164 4XZ -0.00001 0.00011 0.00020 0.00003 0.00054 165 4YZ -0.00000 0.00001 0.00003 0.00001 0.00004 166 12 H 1S 0.00000 -0.00014 -0.00034 -0.00017 -0.00000 167 2S 0.00017 -0.00296 -0.00404 -0.00389 -0.00000 168 13 H 1S 0.00000 -0.00014 -0.00038 0.00000 0.00003 169 2S 0.00015 -0.00243 -0.00450 -0.00000 -0.00110 170 14 H 1S 0.00000 -0.00014 -0.00040 0.00000 0.00005 171 2S 0.00015 -0.00243 -0.00560 -0.00002 0.00001 172 15 O 1S 0.00000 -0.00026 -0.00091 -0.00103 -0.00011 173 2S -0.00015 0.00363 0.01342 0.01549 0.00157 174 2PX -0.00078 0.01961 0.00878 0.03562 0.00601 175 2PY -0.00092 0.02156 0.03649 0.01541 0.00648 176 2PZ -0.00009 0.00224 0.00605 0.00642 0.01931 177 3S -0.00066 -0.01241 0.00284 0.00094 0.00023 178 3PX -0.00357 0.02887 -0.00216 0.02542 0.00525 179 3PY -0.00431 0.03213 0.02789 0.00067 0.00569 180 3PZ -0.00043 0.00331 0.00536 0.00553 0.04506 181 4XX -0.00007 0.00132 -0.00055 0.00370 0.00050 182 4YY -0.00013 0.00189 0.00438 -0.00023 0.00068 183 4ZZ 0.00002 -0.00061 -0.00013 0.00002 0.00014 184 4XY -0.00053 0.00305 0.00100 0.00166 0.00082 185 4XZ -0.00005 0.00031 0.00012 0.00068 0.00151 186 4YZ -0.00006 0.00035 0.00075 0.00024 0.00185 187 16 H 1S 0.00000 -0.00020 -0.00001 -0.00060 -0.00002 188 2S 0.00018 -0.00356 -0.00056 -0.00889 -0.00035 189 17 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00000 0.00011 0.00007 0.00033 0.00000 191 18 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 192 2S 0.00001 -0.00038 -0.00147 0.00009 -0.00006 193 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 195 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 196 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 197 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 198 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 199 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 200 3PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 201 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 202 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 203 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 204 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 206 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 207 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 208 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 209 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S -0.00000 0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 213 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 215 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 216 24 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 217 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 218 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 219 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 220 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 221 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 222 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 230 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 231 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 232 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 240 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S 0.00000 0.00000 0.00000 0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 0.00000 0.00000 0.00000 0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 142 143 144 145 141 3S 0.22469 142 3PX 0.00000 0.02438 143 3PY 0.00000 -0.00000 0.05523 144 3PZ 0.00000 -0.00000 0.00000 0.08076 145 4XX -0.00269 0.00000 0.00000 0.00000 0.00386 146 4YY -0.00399 0.00000 0.00000 0.00000 -0.00102 147 4ZZ -0.00652 0.00000 0.00000 0.00000 0.00010 148 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 149 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 11 C 1S -0.00009 0.00016 0.00027 -0.00002 -0.00015 152 2S 0.00449 0.00362 -0.00153 0.00023 0.00317 153 2PX 0.02808 0.00688 -0.00332 0.00071 0.00318 154 2PY 0.00060 0.00173 -0.00136 0.00002 0.00057 155 2PZ 0.00066 0.00024 -0.00011 0.00064 0.00030 156 3S -0.00099 -0.00551 -0.00560 0.00037 0.00849 157 3PX 0.02318 0.00153 -0.00327 0.00051 0.00394 158 3PY -0.00139 0.00132 -0.00438 -0.00000 0.00030 159 3PZ 0.00072 0.00009 -0.00012 0.00063 0.00026 160 4XX 0.00244 0.00100 -0.00006 0.00014 -0.00002 161 4YY -0.00061 -0.00064 -0.00003 -0.00002 -0.00004 162 4ZZ -0.00097 -0.00033 0.00009 -0.00005 -0.00000 163 4XY 0.00020 0.00002 0.00033 -0.00000 -0.00001 164 4XZ 0.00004 0.00003 -0.00001 0.00049 -0.00003 165 4YZ 0.00000 0.00000 0.00000 0.00001 0.00001 166 12 H 1S -0.00078 -0.00183 -0.00125 -0.00001 0.00001 167 2S -0.00471 -0.00227 0.00151 -0.00003 -0.00071 168 13 H 1S -0.00214 -0.00027 0.00005 -0.00078 0.00001 169 2S -0.00731 0.00043 0.00017 -0.00394 -0.00049 170 14 H 1S -0.00214 -0.00067 -0.00019 -0.00015 0.00007 171 2S -0.00730 -0.00154 -0.00074 -0.00108 -0.00001 172 15 O 1S 0.00128 0.00035 -0.00006 0.00002 -0.00006 173 2S -0.02071 -0.00816 -0.00265 -0.00063 0.00051 174 2PX 0.00735 0.00340 0.01316 0.00140 -0.00239 175 2PY 0.01256 0.00274 0.00375 0.00056 0.00485 176 2PZ 0.00106 0.00090 0.00120 0.02547 0.00020 177 3S -0.06702 -0.01002 -0.00974 -0.00108 0.00265 178 3PX 0.01303 0.01165 0.02127 0.00227 -0.00472 179 3PY 0.02382 0.00519 0.01941 0.00084 0.00737 180 3PZ 0.00195 0.00150 0.00183 0.05755 0.00032 181 4XX 0.00135 -0.00075 0.00232 0.00034 -0.00015 182 4YY 0.00258 0.00084 -0.00167 0.00022 0.00026 183 4ZZ -0.00062 0.00049 0.00076 -0.00027 0.00001 184 4XY 0.00067 0.00011 0.00003 0.00006 -0.00006 185 4XZ 0.00007 -0.00000 0.00005 0.00075 -0.00000 186 4YZ 0.00009 0.00004 0.00000 0.00096 0.00004 187 16 H 1S -0.00463 0.00035 -0.00197 -0.00001 -0.00000 188 2S -0.01703 0.00060 -0.00289 0.00000 0.00021 189 17 H 1S 0.00011 -0.00003 0.00020 0.00000 -0.00000 190 2S 0.00173 -0.00014 0.00181 0.00002 -0.00001 191 18 H 1S 0.00025 0.00039 -0.00001 0.00001 -0.00000 192 2S 0.00073 0.00246 0.00046 -0.00003 0.00022 193 19 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 194 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 195 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 196 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 198 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 199 3PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 200 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 201 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 202 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 203 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 204 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 205 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 206 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 207 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 208 20 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 209 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 211 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 214 23 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 215 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 216 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 218 25 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 219 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 220 26 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 221 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 222 27 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 223 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 224 28 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 225 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 226 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 228 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 229 3S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 230 3PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 231 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 232 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 233 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 234 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 236 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 237 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 238 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 239 29 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 240 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 245 32 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 246 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 146 147 148 149 150 146 4YY 0.00411 147 4ZZ 0.00005 0.00149 148 4XY 0.00000 -0.00000 0.00263 149 4XZ -0.00000 0.00000 -0.00000 0.00125 150 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00158 151 11 C 1S 0.00001 0.00000 -0.00002 -0.00001 -0.00000 152 2S -0.00061 -0.00013 0.00037 0.00011 0.00002 153 2PX -0.00189 -0.00031 0.00090 0.00027 0.00008 154 2PY 0.00004 -0.00001 0.00077 0.00002 0.00000 155 2PZ -0.00003 0.00002 0.00002 0.00113 -0.00001 156 3S -0.00494 -0.00001 0.00030 0.00011 0.00003 157 3PX -0.00484 -0.00009 0.00016 0.00006 0.00003 158 3PY -0.00015 0.00007 0.00055 0.00000 0.00001 159 3PZ -0.00011 -0.00005 0.00001 0.00069 0.00002 160 4XX -0.00004 -0.00006 -0.00005 -0.00001 -0.00000 161 4YY 0.00002 0.00000 -0.00001 -0.00001 -0.00000 162 4ZZ 0.00000 0.00001 -0.00002 -0.00001 0.00000 163 4XY 0.00000 -0.00000 -0.00009 0.00001 -0.00000 164 4XZ -0.00000 -0.00000 0.00000 -0.00013 0.00001 165 4YZ 0.00000 0.00000 0.00000 0.00002 0.00000 166 12 H 1S 0.00003 -0.00000 0.00010 -0.00000 0.00000 167 2S 0.00097 0.00004 0.00030 -0.00001 -0.00000 168 13 H 1S -0.00000 0.00001 -0.00000 0.00008 -0.00000 169 2S 0.00019 0.00028 -0.00001 0.00034 -0.00000 170 14 H 1S -0.00000 -0.00000 0.00001 0.00003 -0.00000 171 2S 0.00027 -0.00016 0.00005 0.00016 0.00000 172 15 O 1S -0.00010 0.00001 -0.00050 -0.00004 -0.00005 173 2S 0.00117 -0.00049 0.00522 0.00044 0.00053 174 2PX 0.00618 -0.00048 0.00167 -0.00002 0.00121 175 2PY -0.00338 -0.00063 0.00213 0.00114 0.00008 176 2PZ 0.00042 0.00035 0.00103 0.00148 0.00179 177 3S 0.00176 -0.00102 0.00291 0.00027 0.00027 178 3PX 0.00786 -0.00095 -0.00004 0.00000 0.00048 179 3PY -0.00560 -0.00137 0.00011 0.00047 0.00000 180 3PZ 0.00053 -0.00035 0.00040 0.00176 0.00225 181 4XX 0.00031 -0.00001 -0.00001 -0.00000 0.00006 182 4YY -0.00020 -0.00004 0.00001 0.00007 0.00000 183 4ZZ 0.00004 0.00000 -0.00003 0.00002 0.00002 184 4XY -0.00004 -0.00011 0.00009 0.00003 0.00005 185 4XZ 0.00005 0.00002 0.00003 0.00005 0.00012 186 4YZ -0.00001 0.00003 0.00005 0.00012 0.00008 187 16 H 1S 0.00005 -0.00000 0.00003 0.00000 0.00001 188 2S -0.00023 -0.00001 0.00021 0.00001 0.00003 189 17 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 190 2S 0.00001 -0.00000 -0.00000 0.00000 0.00000 191 18 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 192 2S -0.00008 0.00002 0.00001 0.00001 0.00000 193 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 195 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 196 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 197 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 198 3S -0.00000 0.00000 0.00000 0.00000 0.00000 199 3PX 0.00000 0.00000 0.00000 -0.00000 0.00000 200 3PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 201 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 202 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 203 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 204 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 205 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 206 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 207 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 208 20 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 209 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 210 21 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 211 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 216 24 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 217 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 25 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 219 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 220 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 221 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 222 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 230 3PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 231 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 232 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 240 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S 0.00000 0.00000 0.00000 0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 0.00000 0.00000 0.00000 0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 0.00000 0.00000 0.00000 0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 11 C 1S 2.05158 152 2S -0.01176 0.30092 153 2PX 0.00000 0.00000 0.39576 154 2PY 0.00000 0.00000 0.00000 0.41171 155 2PZ 0.00000 0.00000 0.00000 -0.00000 0.39802 156 3S -0.03639 0.25250 0.00000 0.00000 0.00000 157 3PX 0.00000 0.00000 0.12065 -0.00000 0.00000 158 3PY 0.00000 0.00000 0.00000 0.11416 -0.00000 159 3PZ 0.00000 0.00000 0.00000 -0.00000 0.10759 160 4XX -0.00133 -0.00310 0.00000 0.00000 0.00000 161 4YY -0.00150 0.00056 0.00000 0.00000 0.00000 162 4ZZ -0.00150 0.00045 0.00000 0.00000 0.00000 163 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 166 12 H 1S -0.00177 0.02896 0.00163 0.09503 0.00154 167 2S -0.00041 0.00917 0.00193 0.05419 0.00071 168 13 H 1S -0.00166 0.02702 0.00827 0.00678 0.08093 169 2S -0.00046 0.00952 0.00544 0.00396 0.05030 170 14 H 1S -0.00166 0.02702 0.03154 0.02418 0.04025 171 2S -0.00046 0.00952 0.02018 0.01455 0.02496 172 15 O 1S -0.00000 0.00000 0.00000 0.00000 0.00000 173 2S 0.00000 -0.00001 -0.00007 -0.00001 -0.00000 174 2PX 0.00000 -0.00011 -0.00050 -0.00000 -0.00003 175 2PY -0.00000 0.00001 0.00004 -0.00000 0.00000 176 2PZ 0.00000 -0.00000 -0.00002 -0.00000 -0.00001 177 3S -0.00000 -0.00001 -0.00042 -0.00019 -0.00004 178 3PX 0.00013 -0.00329 -0.00823 -0.00005 -0.00054 179 3PY -0.00002 0.00047 0.00118 0.00001 0.00001 180 3PZ 0.00000 -0.00006 -0.00037 -0.00004 -0.00040 181 4XX 0.00000 -0.00000 0.00006 -0.00000 0.00000 182 4YY 0.00000 -0.00000 -0.00001 0.00000 -0.00000 183 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 184 4XY 0.00000 -0.00000 0.00001 0.00000 -0.00000 185 4XZ 0.00000 -0.00000 0.00001 -0.00000 -0.00000 186 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 187 16 H 1S 0.00000 -0.00001 -0.00000 -0.00003 -0.00000 188 2S -0.00000 0.00001 -0.00023 -0.00023 0.00001 189 17 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 190 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 191 18 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 192 2S -0.00000 0.00000 0.00002 -0.00000 0.00000 193 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 195 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 196 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 198 3S -0.00000 0.00000 0.00000 0.00000 0.00000 199 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 200 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 201 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 202 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 203 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 206 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 216 24 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 217 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 218 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 219 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 220 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 221 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 222 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S 0.00000 0.00000 0.00000 0.00000 0.00000 230 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 231 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 232 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 240 2S 0.00000 0.00000 0.00000 0.00000 0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S 0.00000 0.00000 0.00000 0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 0.00000 0.00000 0.00000 0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S 0.00000 0.00000 0.00000 0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 0.00000 0.00000 0.00000 0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 157 158 159 160 156 3S 0.40874 157 3PX 0.00000 0.12153 158 3PY 0.00000 -0.00000 0.09986 159 3PZ 0.00000 0.00000 -0.00000 0.09072 160 4XX -0.00148 0.00000 0.00000 0.00000 0.00109 161 4YY 0.00009 0.00000 0.00000 0.00000 -0.00015 162 4ZZ 0.00009 0.00000 0.00000 0.00000 -0.00007 163 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 164 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.03617 0.00154 0.06412 0.00097 -0.00092 167 2S -0.01032 0.00297 0.05551 0.00056 -0.00207 168 13 H 1S 0.02989 0.00599 0.00500 0.05445 -0.00081 169 2S -0.00601 0.00673 0.00461 0.05263 -0.00146 170 14 H 1S 0.02991 0.02196 0.01704 0.02646 -0.00008 171 2S -0.00597 0.02296 0.01599 0.02502 0.00026 172 15 O 1S 0.00003 0.00003 0.00002 0.00000 -0.00000 173 2S -0.00087 -0.00097 -0.00022 -0.00007 0.00000 174 2PX -0.00738 -0.00879 0.00013 -0.00044 0.00002 175 2PY 0.00084 0.00069 -0.00038 0.00004 0.00000 176 2PZ -0.00017 -0.00036 0.00002 -0.00012 0.00000 177 3S 0.00127 0.00272 -0.00124 -0.00007 -0.00001 178 3PX -0.03212 -0.02525 0.00010 -0.00147 0.00030 179 3PY 0.00474 0.00361 -0.00144 0.00015 0.00002 180 3PZ -0.00056 -0.00098 0.00002 -0.00086 0.00008 181 4XX -0.00042 -0.00007 -0.00000 0.00000 0.00001 182 4YY 0.00009 -0.00017 0.00003 -0.00000 -0.00000 183 4ZZ -0.00001 -0.00003 -0.00002 -0.00000 -0.00000 184 4XY -0.00006 -0.00005 -0.00002 -0.00000 0.00000 185 4XZ -0.00002 -0.00001 0.00000 0.00001 0.00000 186 4YZ -0.00000 -0.00001 -0.00000 -0.00000 0.00000 187 16 H 1S -0.00015 0.00004 -0.00016 -0.00000 -0.00000 188 2S 0.00165 0.00008 0.00029 0.00000 -0.00003 189 17 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 190 2S -0.00008 -0.00011 -0.00004 -0.00000 -0.00000 191 18 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 192 2S 0.00019 0.00039 -0.00000 0.00001 -0.00000 193 19 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 194 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 195 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 196 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 197 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 198 3S 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 200 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 201 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 202 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 203 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 204 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 205 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 206 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 207 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 209 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 210 21 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 211 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 212 22 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 213 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 23 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 215 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 216 24 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 217 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 218 25 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 219 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 220 26 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 221 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 222 27 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 223 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S -0.00000 -0.00000 0.00000 -0.00000 0.00000 230 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 231 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 232 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 240 2S -0.00000 0.00000 0.00000 0.00000 0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 161 162 163 164 165 161 4YY 0.00145 162 4ZZ -0.00012 0.00120 163 4XY -0.00000 0.00000 0.00067 164 4XZ -0.00000 0.00000 0.00000 0.00078 165 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00066 166 12 H 1S 0.00657 -0.00077 0.00029 0.00001 0.00022 167 2S 0.00518 -0.00172 0.00006 0.00000 0.00004 168 13 H 1S -0.00074 0.00491 0.00013 0.00105 0.00102 169 2S -0.00171 0.00425 0.00002 0.00024 0.00021 170 14 H 1S -0.00017 0.00066 0.00141 0.00203 0.00170 171 2S -0.00035 0.00059 0.00029 0.00043 0.00035 172 15 O 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 173 2S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PX -0.00000 0.00000 0.00001 0.00000 0.00000 175 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 176 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 177 3S 0.00001 0.00002 -0.00000 -0.00000 -0.00000 178 3PX -0.00005 0.00008 0.00014 0.00007 0.00001 179 3PY -0.00001 0.00001 0.00000 0.00001 -0.00000 180 3PZ 0.00000 -0.00001 0.00002 0.00010 0.00001 181 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 182 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 183 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 184 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 185 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 186 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 187 16 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 188 2S 0.00004 0.00000 -0.00003 0.00000 0.00000 189 17 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 190 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 191 18 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 192 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 193 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 196 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 197 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 199 3PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 200 3PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 201 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 202 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 203 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 206 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 216 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 218 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 219 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 220 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 221 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 222 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S 0.00000 0.00000 0.00000 0.00000 0.00000 230 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 231 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 232 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 240 2S 0.00000 0.00000 0.00000 0.00000 0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S 0.00000 0.00000 0.00000 0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 0.00000 0.00000 0.00000 0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S 0.00000 0.00000 0.00000 0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 0.00000 0.00000 0.00000 0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 12 H 1S 0.20949 167 2S 0.09655 0.12545 168 13 H 1S -0.00039 -0.00471 0.20963 169 2S -0.00581 -0.01101 0.10363 0.13392 170 14 H 1S -0.00039 -0.00471 -0.00036 -0.00593 0.20962 171 2S -0.00581 -0.01100 -0.00592 -0.01594 0.10358 172 15 O 1S 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 173 2S -0.00000 0.00012 0.00000 0.00005 0.00000 174 2PX -0.00001 0.00050 0.00000 0.00035 0.00000 175 2PY -0.00000 0.00040 0.00000 -0.00001 -0.00000 176 2PZ -0.00000 -0.00003 -0.00000 -0.00017 -0.00000 177 3S -0.00007 0.00116 0.00001 0.00002 0.00001 178 3PX -0.00060 0.00329 0.00008 0.00264 0.00004 179 3PY -0.00001 0.00193 0.00000 -0.00016 -0.00001 180 3PZ -0.00001 -0.00010 -0.00006 -0.00139 -0.00001 181 4XX -0.00000 -0.00003 -0.00000 0.00002 -0.00000 182 4YY 0.00000 -0.00006 0.00000 0.00000 0.00000 183 4ZZ -0.00000 -0.00001 -0.00000 -0.00001 0.00000 184 4XY 0.00000 0.00003 0.00000 0.00001 -0.00000 185 4XZ -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 186 4YZ -0.00000 0.00000 -0.00000 -0.00001 -0.00000 187 16 H 1S 0.00000 0.00001 -0.00000 -0.00004 -0.00000 188 2S 0.00000 -0.00006 0.00010 0.00037 0.00010 189 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 191 18 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 192 2S 0.00000 -0.00000 -0.00000 -0.00002 -0.00000 193 19 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 194 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 195 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 196 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 197 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 198 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 199 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 200 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 201 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 202 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 203 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 204 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 205 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 206 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 207 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 20 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 209 2S 0.00000 0.00000 0.00000 0.00000 0.00000 210 21 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 211 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 214 23 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 215 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 216 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 0.00000 0.00000 0.00000 0.00000 218 25 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 219 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 220 26 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 221 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 222 27 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 223 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 230 3PX 0.00000 0.00000 0.00000 -0.00000 0.00000 231 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 232 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 240 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S 0.00000 0.00000 0.00000 0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S 0.00000 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 2S 0.13380 172 15 O 1S -0.00000 2.07832 173 2S 0.00005 -0.04255 0.50410 174 2PX 0.00026 0.00000 0.00000 0.72523 175 2PY -0.00006 0.00000 0.00000 -0.00000 0.70464 176 2PZ -0.00003 0.00000 0.00000 0.00000 -0.00000 177 3S 0.00001 -0.04059 0.45146 0.00000 0.00000 178 3PX 0.00188 0.00000 0.00000 0.22067 -0.00000 179 3PY -0.00055 0.00000 0.00000 -0.00000 0.22407 180 3PZ -0.00025 0.00000 0.00000 -0.00000 0.00000 181 4XX 0.00001 -0.00039 -0.00554 0.00000 0.00000 182 4YY -0.00001 -0.00038 -0.00591 0.00000 0.00000 183 4ZZ 0.00001 -0.00046 -0.00349 0.00000 0.00000 184 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 185 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 186 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 187 16 H 1S -0.00004 -0.00000 0.00000 0.00000 0.00000 188 2S 0.00036 -0.00000 0.00004 -0.00000 0.00031 189 17 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 190 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 191 18 H 1S 0.00000 0.00000 -0.00001 -0.00002 -0.00001 192 2S -0.00002 -0.00008 0.00092 0.00426 0.00022 193 19 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 195 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 196 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 197 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 198 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 199 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 200 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 201 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 202 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 203 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 204 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 205 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 206 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 207 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 208 20 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 209 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 210 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 211 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 212 22 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 214 23 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 215 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 216 24 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 217 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 218 25 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 219 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 220 26 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 221 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 222 27 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 223 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 230 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 231 3PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 232 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 240 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 176 177 178 179 180 176 2PZ 0.56313 177 3S 0.00000 0.75197 178 3PX -0.00000 0.00000 0.27169 179 3PY 0.00000 0.00000 -0.00000 0.28993 180 3PZ 0.18435 0.00000 -0.00000 0.00000 0.24204 181 4XX 0.00000 -0.01235 0.00000 0.00000 0.00000 182 4YY 0.00000 -0.01096 0.00000 0.00000 0.00000 183 4ZZ 0.00000 -0.00460 0.00000 0.00000 0.00000 184 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 185 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 186 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S 0.00000 0.00001 -0.00000 0.00006 0.00000 188 2S 0.00001 0.00035 -0.00017 0.00298 0.00009 189 17 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 190 2S -0.00000 -0.00001 -0.00002 -0.00009 -0.00000 191 18 H 1S -0.00000 -0.00054 -0.00062 -0.00034 -0.00000 192 2S 0.00007 0.00640 0.01478 0.00173 0.00022 193 19 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 194 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 195 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 196 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 198 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 199 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 200 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 201 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 202 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 203 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 204 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 205 4XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 206 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 207 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 208 20 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 209 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 210 21 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 211 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 212 22 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 213 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 214 23 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 215 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 216 24 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 217 2S -0.00000 -0.00001 -0.00003 -0.00000 -0.00000 218 25 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 219 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 220 26 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 221 2S 0.00000 0.00000 0.00000 0.00000 0.00000 222 27 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 223 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 230 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 231 3PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 232 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 240 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 181 182 183 184 185 181 4XX 0.00188 182 4YY -0.00011 0.00202 183 4ZZ 0.00005 -0.00004 0.00059 184 4XY 0.00000 0.00000 -0.00000 0.00120 185 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00088 186 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 187 16 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 188 2S -0.00001 0.00002 -0.00000 0.00001 0.00000 189 17 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 190 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 191 18 H 1S 0.00001 -0.00000 -0.00000 0.00001 0.00000 192 2S -0.00033 -0.00000 -0.00003 0.00015 -0.00001 193 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 194 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 195 2PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 196 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 197 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 198 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 199 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 200 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 201 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 202 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 203 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 204 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 205 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 206 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 207 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 208 20 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 209 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 210 21 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 211 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 212 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 213 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 214 23 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 215 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 216 24 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 217 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 218 25 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 219 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 220 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 221 2S -0.00000 0.00000 0.00000 0.00000 0.00000 222 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 230 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 231 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 232 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 240 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 186 187 188 189 190 186 4YZ 0.00110 187 16 H 1S 0.00000 0.21772 188 2S 0.00000 0.11581 0.16549 189 17 H 1S 0.00000 -0.00004 -0.00150 0.21980 190 2S 0.00000 -0.00141 -0.00626 0.11471 0.16383 191 18 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00044 192 2S 0.00000 0.00000 -0.00002 0.00031 0.00402 193 19 C 1S 0.00000 -0.00000 0.00000 0.00000 -0.00001 194 2S -0.00000 0.00000 -0.00000 -0.00000 0.00013 195 2PX -0.00000 0.00000 0.00000 -0.00001 0.00038 196 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00006 197 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 198 3S -0.00000 0.00000 -0.00000 -0.00012 0.00098 199 3PX -0.00000 0.00000 0.00000 -0.00058 0.00090 200 3PY -0.00000 -0.00000 -0.00000 0.00015 0.00059 201 3PZ 0.00000 0.00000 0.00000 -0.00004 -0.00005 202 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00001 203 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00001 204 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00001 205 4XY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 206 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 207 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 208 20 H 1S 0.00000 0.00000 0.00000 -0.00003 0.00117 209 2S -0.00000 0.00000 0.00001 0.00074 0.00533 210 21 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00001 211 2S -0.00000 -0.00000 -0.00000 0.00001 -0.00016 212 22 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00001 213 2S -0.00000 -0.00000 -0.00000 0.00001 -0.00013 214 23 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 215 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 216 24 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 217 2S -0.00000 -0.00000 0.00000 0.00000 0.00001 218 25 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 219 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 220 26 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 221 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 222 27 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 223 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 226 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 227 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 229 3S 0.00000 0.00000 0.00000 0.00000 0.00000 230 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 231 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 237 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 240 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 241 30 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 242 2S 0.00000 0.00000 0.00000 0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 244 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S 0.00000 0.00000 0.00000 0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 248 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 250 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 191 192 193 194 195 191 18 H 1S 0.21231 192 2S 0.09397 0.13896 193 19 C 1S -0.00000 -0.00000 2.05070 194 2S 0.00000 0.00007 -0.01143 0.29811 195 2PX 0.00000 0.00005 0.00000 0.00000 0.40750 196 2PY 0.00000 0.00034 0.00000 0.00000 0.00000 197 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 3S 0.00008 0.00157 -0.03457 0.23451 0.00000 199 3PX 0.00003 0.00045 0.00000 0.00000 0.11287 200 3PY 0.00025 0.00324 0.00000 0.00000 0.00000 201 3PZ 0.00000 0.00002 0.00000 0.00000 0.00000 202 4XX -0.00000 -0.00000 -0.00148 0.00019 0.00000 203 4YY -0.00000 0.00000 -0.00132 -0.00287 0.00000 204 4ZZ -0.00000 -0.00000 -0.00146 -0.00002 0.00000 205 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 206 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 207 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 208 20 H 1S 0.00000 -0.00000 -0.00174 0.02843 0.06751 209 2S 0.00000 -0.00008 -0.00055 0.01131 0.03944 210 21 H 1S -0.00000 -0.00000 -0.00166 0.02704 0.04089 211 2S -0.00000 -0.00013 -0.00053 0.01052 0.02454 212 22 H 1S -0.00000 -0.00000 -0.00165 0.02714 0.01686 213 2S -0.00000 -0.00012 -0.00060 0.01116 0.01011 214 23 H 1S 0.00000 0.00001 0.00000 -0.00000 -0.00000 215 2S 0.00003 0.00013 0.00001 -0.00021 0.00014 216 24 H 1S -0.00001 0.00068 -0.00000 0.00000 0.00000 217 2S 0.00083 0.00551 -0.00000 0.00010 0.00001 218 25 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 219 2S 0.00002 0.00020 0.00000 -0.00000 0.00001 220 26 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 221 2S -0.00000 0.00001 -0.00000 0.00009 0.00012 222 27 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 223 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 226 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 227 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 228 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 229 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 230 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 231 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 232 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 233 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 234 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 235 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 237 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 238 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 240 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 241 30 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 242 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 244 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 246 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 249 34 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 250 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 196 197 198 199 200 196 2PY 0.39029 197 2PZ -0.00000 0.40214 198 3S 0.00000 0.00000 0.31817 199 3PX -0.00000 -0.00000 0.00000 0.09751 200 3PY 0.11367 -0.00000 0.00000 -0.00000 0.10835 201 3PZ 0.00000 0.10776 0.00000 -0.00000 -0.00000 202 4XX 0.00000 0.00000 -0.00016 0.00000 0.00000 203 4YY 0.00000 0.00000 -0.00106 0.00000 0.00000 204 4ZZ 0.00000 0.00000 -0.00007 0.00000 0.00000 205 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 206 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 207 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 20 H 1S 0.02730 0.00378 0.03146 0.04403 0.01947 209 2S 0.01681 0.00224 0.00136 0.03951 0.01871 210 21 H 1S 0.00216 0.05319 0.03307 0.02834 0.00162 211 2S 0.00124 0.03302 0.00848 0.02629 0.00140 212 22 H 1S 0.01267 0.06650 0.03136 0.01198 0.00908 213 2S 0.00768 0.04163 0.00601 0.01121 0.00845 214 23 H 1S -0.00001 -0.00001 -0.00038 -0.00003 -0.00010 215 2S -0.00054 0.00002 -0.00172 0.00041 -0.00085 216 24 H 1S 0.00000 0.00000 0.00008 -0.00001 0.00019 217 2S 0.00038 0.00002 0.00161 -0.00007 0.00308 218 25 H 1S 0.00000 0.00000 -0.00001 -0.00001 -0.00000 219 2S -0.00001 0.00001 -0.00014 -0.00003 -0.00012 220 26 H 1S 0.00000 -0.00000 -0.00005 -0.00015 0.00021 221 2S 0.00018 -0.00004 0.00063 0.00022 0.00150 222 27 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 223 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00001 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 225 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 226 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 227 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 229 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 230 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 231 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 232 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 233 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 234 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 235 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 236 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 237 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 240 2S -0.00000 -0.00000 -0.00001 0.00001 -0.00000 241 30 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 242 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 243 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 244 2S 0.00000 0.00000 0.00000 0.00000 0.00000 245 32 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 246 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 247 33 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 248 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 249 34 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 250 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 201 202 203 204 205 201 3PZ 0.09066 202 4XX 0.00000 0.00076 203 4YY 0.00000 -0.00007 0.00107 204 4ZZ 0.00000 0.00004 -0.00016 0.00100 205 4XY 0.00000 0.00000 0.00000 -0.00000 0.00110 206 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 207 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 208 20 H 1S 0.00251 0.00281 -0.00023 -0.00078 0.00328 209 2S 0.00230 0.00257 -0.00007 -0.00181 0.00069 210 21 H 1S 0.03484 0.00083 -0.00095 0.00168 0.00018 211 2S 0.03245 0.00105 -0.00218 0.00177 0.00005 212 22 H 1S 0.04354 -0.00045 -0.00081 0.00304 0.00040 213 2S 0.04126 -0.00093 -0.00118 0.00281 0.00009 214 23 H 1S -0.00040 0.00000 -0.00000 -0.00000 0.00000 215 2S -0.00085 0.00002 -0.00003 0.00002 -0.00002 216 24 H 1S 0.00001 -0.00000 -0.00000 0.00000 -0.00000 217 2S 0.00014 -0.00000 -0.00000 -0.00000 -0.00000 218 25 H 1S 0.00001 0.00000 -0.00000 0.00000 -0.00000 219 2S 0.00017 0.00000 -0.00000 0.00000 -0.00000 220 26 H 1S -0.00014 0.00000 0.00000 -0.00000 0.00000 221 2S -0.00044 -0.00001 -0.00000 0.00000 -0.00001 222 27 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 223 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 224 28 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 225 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 226 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 227 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 228 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 229 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 230 3PX 0.00000 0.00000 0.00000 -0.00000 0.00000 231 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 232 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 233 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 234 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 235 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 236 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 237 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 238 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 239 29 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 240 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 241 30 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 242 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 243 31 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 244 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 245 32 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 246 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 206 207 208 209 210 206 4XZ 0.00127 207 4YZ -0.00000 0.00074 208 20 H 1S 0.00041 0.00018 0.21383 209 2S 0.00008 0.00004 0.10332 0.13168 210 21 H 1S 0.00370 0.00022 -0.00042 -0.00592 0.21120 211 2S 0.00081 0.00007 -0.00608 -0.01557 0.10532 212 22 H 1S 0.00194 0.00156 -0.00042 -0.00586 -0.00039 213 2S 0.00044 0.00038 -0.00607 -0.01544 -0.00672 214 23 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 215 2S 0.00002 -0.00002 -0.00000 -0.00001 -0.00001 216 24 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 217 2S -0.00000 -0.00000 -0.00000 -0.00017 0.00000 218 25 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 2S -0.00000 0.00000 -0.00000 -0.00002 0.00001 220 26 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00001 221 2S 0.00000 0.00000 -0.00000 -0.00008 0.00025 222 27 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 223 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 224 28 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 225 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 226 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 227 2PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 228 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 229 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 230 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 231 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 234 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 235 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 236 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 237 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 238 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 239 29 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 240 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 241 30 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 242 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 243 31 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 244 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 32 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 246 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 247 33 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 248 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 211 212 213 214 215 211 2S 0.14056 212 22 H 1S -0.00670 0.21084 213 2S -0.02101 0.10625 0.14209 214 23 H 1S 0.00000 -0.00000 0.00038 0.21416 215 2S -0.00041 0.00040 0.00459 0.11320 0.16518 216 24 H 1S 0.00000 0.00000 0.00000 -0.00047 -0.00729 217 2S -0.00000 0.00000 -0.00004 -0.00667 -0.01930 218 25 H 1S 0.00002 -0.00000 0.00000 0.00000 0.00044 219 2S -0.00005 0.00000 0.00006 0.00044 0.00544 220 26 H 1S 0.00038 0.00000 0.00001 -0.00001 -0.00073 221 2S 0.00241 0.00001 0.00013 -0.00065 -0.00366 222 27 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00001 223 2S 0.00000 0.00000 0.00000 -0.00001 -0.00016 224 28 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 225 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 226 2PX -0.00000 -0.00000 0.00000 0.00000 0.00001 227 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 228 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 229 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00002 230 3PX -0.00001 -0.00000 0.00000 0.00000 0.00016 231 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 3PZ -0.00000 0.00000 0.00000 0.00000 0.00002 233 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 234 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 235 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 236 4XY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 237 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 238 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 239 29 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00001 240 2S 0.00002 0.00000 0.00000 -0.00000 -0.00000 241 30 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 242 2S 0.00000 0.00000 0.00000 0.00000 0.00000 243 31 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 244 2S -0.00000 0.00000 0.00000 0.00000 -0.00005 245 32 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 246 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 247 33 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 248 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 249 34 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 250 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 216 217 218 219 220 216 24 H 1S 0.21510 217 2S 0.10764 0.14572 218 25 H 1S -0.00001 -0.00059 0.21373 219 2S -0.00063 -0.00312 0.11125 0.15720 220 26 H 1S 0.00000 0.00040 -0.00048 -0.00734 0.21699 221 2S 0.00040 0.00450 -0.00735 -0.02082 0.11171 222 27 H 1S -0.00000 0.00040 -0.00001 -0.00047 0.00000 223 2S 0.00033 0.00385 -0.00043 -0.00156 0.00036 224 28 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 225 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 226 2PX -0.00000 -0.00000 0.00000 0.00002 -0.00001 227 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 228 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 229 3S -0.00000 0.00000 0.00000 0.00013 -0.00012 230 3PX -0.00000 -0.00001 0.00001 0.00033 -0.00033 231 3PY 0.00000 0.00001 -0.00000 -0.00007 -0.00014 232 3PZ 0.00000 0.00000 0.00000 0.00002 -0.00005 233 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 234 4YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 235 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 237 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 238 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 239 29 H 1S -0.00000 -0.00000 0.00000 0.00001 -0.00002 240 2S 0.00000 0.00000 -0.00001 -0.00016 0.00107 241 30 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 242 2S -0.00000 0.00000 0.00000 0.00004 0.00001 243 31 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 244 2S 0.00000 0.00000 -0.00000 -0.00002 0.00001 245 32 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 246 2S -0.00000 0.00000 -0.00000 -0.00001 0.00000 247 33 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 248 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 34 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 250 2S -0.00000 0.00000 0.00000 0.00002 0.00000 221 222 223 224 225 221 2S 0.15648 222 27 H 1S 0.00040 0.21765 223 2S 0.00464 0.11767 0.17300 224 28 C 1S -0.00001 -0.00000 -0.00000 2.05071 225 2S 0.00015 0.00000 0.00010 -0.01151 0.29866 226 2PX 0.00067 0.00000 0.00019 0.00000 0.00000 227 2PY -0.00006 0.00000 0.00031 0.00000 0.00000 228 2PZ -0.00000 0.00000 0.00001 0.00000 0.00000 229 3S 0.00130 0.00010 0.00211 -0.03448 0.23494 230 3PX 0.00217 0.00008 0.00153 0.00000 0.00000 231 3PY -0.00056 0.00022 0.00307 0.00000 0.00000 232 3PZ -0.00012 0.00001 0.00013 0.00000 0.00000 233 4XX -0.00001 -0.00000 -0.00001 -0.00145 -0.00043 234 4YY 0.00000 0.00000 0.00000 -0.00135 -0.00223 235 4ZZ -0.00002 -0.00000 -0.00000 -0.00146 -0.00019 236 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 237 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 239 29 H 1S 0.00112 0.00000 0.00000 -0.00173 0.02826 240 2S 0.00598 0.00000 -0.00004 -0.00055 0.01144 241 30 H 1S -0.00001 -0.00000 -0.00000 -0.00165 0.02700 242 2S -0.00020 -0.00000 -0.00017 -0.00062 0.01125 243 31 H 1S -0.00002 -0.00000 -0.00000 -0.00164 0.02698 244 2S -0.00019 -0.00000 -0.00018 -0.00061 0.01115 245 32 H 1S -0.00000 -0.00001 0.00077 -0.00000 0.00000 246 2S 0.00001 0.00087 0.00724 -0.00000 0.00010 247 33 H 1S -0.00000 0.00000 0.00001 0.00000 -0.00000 248 2S 0.00000 0.00003 0.00022 0.00000 -0.00009 249 34 H 1S -0.00000 0.00000 0.00001 0.00000 -0.00000 250 2S -0.00000 0.00003 0.00025 0.00000 -0.00009 226 227 228 229 230 226 2PX 0.40253 227 2PY 0.00000 0.39378 228 2PZ 0.00000 0.00000 0.39995 229 3S 0.00000 0.00000 0.00000 0.32158 230 3PX 0.11279 -0.00000 -0.00000 0.00000 0.09924 231 3PY 0.00000 0.11287 -0.00000 0.00000 -0.00000 232 3PZ 0.00000 -0.00000 0.10604 0.00000 -0.00000 233 4XX 0.00000 0.00000 0.00000 -0.00021 0.00000 234 4YY 0.00000 0.00000 0.00000 -0.00112 0.00000 235 4ZZ 0.00000 0.00000 0.00000 -0.00021 0.00000 236 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 237 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 238 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 239 29 H 1S 0.04517 0.04750 0.00547 0.03071 0.02873 240 2S 0.02649 0.02970 0.00333 -0.00048 0.02542 241 30 H 1S 0.03934 0.00074 0.05571 0.03199 0.02722 242 2S 0.02431 0.00050 0.03579 0.00775 0.02597 243 31 H 1S 0.02646 0.01002 0.05939 0.03163 0.01863 244 2S 0.01631 0.00634 0.03826 0.00692 0.01790 245 32 H 1S 0.00000 0.00000 0.00000 0.00008 0.00000 246 2S 0.00000 0.00037 0.00003 0.00169 0.00002 247 33 H 1S -0.00000 -0.00000 -0.00001 -0.00012 -0.00004 248 2S 0.00007 -0.00022 -0.00000 -0.00001 0.00012 249 34 H 1S -0.00000 -0.00001 -0.00000 -0.00012 -0.00008 250 2S 0.00010 -0.00025 0.00001 -0.00004 0.00006 231 232 233 234 235 231 3PY 0.10536 232 3PZ -0.00000 0.08817 233 4XX 0.00000 0.00000 0.00044 234 4YY 0.00000 0.00000 -0.00003 0.00105 235 4ZZ 0.00000 0.00000 0.00009 -0.00017 0.00089 236 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 237 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 238 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 239 29 H 1S 0.03331 0.00371 0.00063 0.00121 -0.00076 240 2S 0.03241 0.00350 0.00056 0.00173 -0.00168 241 30 H 1S 0.00040 0.03606 0.00077 -0.00096 0.00196 242 2S 0.00041 0.03497 0.00111 -0.00254 0.00219 243 31 H 1S 0.00679 0.03823 -0.00005 -0.00081 0.00218 244 2S 0.00658 0.03718 -0.00010 -0.00133 0.00206 245 32 H 1S 0.00013 0.00001 0.00000 -0.00000 0.00000 246 2S 0.00260 0.00018 -0.00000 -0.00001 0.00000 247 33 H 1S 0.00010 -0.00038 0.00000 -0.00000 -0.00000 248 2S 0.00046 -0.00095 0.00001 -0.00002 -0.00000 249 34 H 1S -0.00016 -0.00003 0.00000 -0.00000 -0.00000 250 2S -0.00010 -0.00008 0.00003 -0.00006 0.00001 236 237 238 239 240 236 4XY 0.00126 237 4XZ -0.00000 0.00156 238 4YZ 0.00000 -0.00000 0.00063 239 29 H 1S 0.00373 0.00041 0.00043 0.21340 240 2S 0.00078 0.00008 0.00010 0.10535 0.13712 241 30 H 1S 0.00005 0.00384 0.00005 -0.00042 -0.00592 242 2S 0.00001 0.00090 -0.00000 -0.00614 -0.01577 243 31 H 1S 0.00046 0.00280 0.00115 -0.00042 -0.00587 244 2S 0.00012 0.00065 0.00028 -0.00619 -0.01591 245 32 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 246 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00018 247 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2S -0.00001 0.00002 -0.00003 -0.00000 -0.00005 249 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 250 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00004 241 242 243 244 245 241 30 H 1S 0.21115 242 2S 0.10892 0.14890 243 31 H 1S -0.00041 -0.00707 0.21128 244 2S -0.00707 -0.02282 0.10932 0.14969 245 32 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.21229 246 2S 0.00000 -0.00005 0.00000 -0.00003 0.10505 247 33 H 1S 0.00000 -0.00003 -0.00000 0.00033 -0.00041 248 2S -0.00003 -0.00083 0.00032 0.00414 -0.00612 249 34 H 1S -0.00000 0.00032 0.00000 -0.00003 -0.00041 250 2S 0.00032 0.00414 -0.00003 -0.00083 -0.00610 246 247 248 249 250 246 2S 0.13595 247 33 H 1S -0.00566 0.21149 248 2S -0.01524 0.11034 0.15324 249 34 H 1S -0.00568 -0.00042 -0.00731 0.21146 250 2S -0.01534 -0.00730 -0.02398 0.11021 0.15305 Gross orbital populations: 1 1 1 C 1S 1.99188 2 2S 0.67793 3 2PX 0.71369 4 2PY 0.70729 5 2PZ 0.71093 6 3S 0.64466 7 3PX 0.34837 8 3PY 0.32804 9 3PZ 0.35455 10 4XX -0.00090 11 4YY 0.00258 12 4ZZ 0.00276 13 4XY 0.00854 14 4XZ 0.01222 15 4YZ 0.00366 16 2 C 1S 1.99191 17 2S 0.71177 18 2PX 0.76173 19 2PY 0.69829 20 2PZ 0.57778 21 3S 0.45431 22 3PX 0.13414 23 3PY 0.10870 24 3PZ 0.36739 25 4XX 0.00180 26 4YY -0.00182 27 4ZZ -0.02198 28 4XY 0.01399 29 4XZ 0.00890 30 4YZ 0.00416 31 3 C 1S 1.99194 32 2S 0.70517 33 2PX 0.75413 34 2PY 0.70762 35 2PZ 0.59364 36 3S 0.51951 37 3PX 0.20670 38 3PY 0.24580 39 3PZ 0.42938 40 4XX 0.00296 41 4YY 0.00671 42 4ZZ -0.02279 43 4XY 0.01109 44 4XZ 0.00759 45 4YZ 0.00221 46 4 C 1S 1.99217 47 2S 0.67990 48 2PX 0.70202 49 2PY 0.71445 50 2PZ 0.69034 51 3S 0.60625 52 3PX 0.29674 53 3PY 0.30690 54 3PZ 0.29000 55 4XX -0.00347 56 4YY 0.00300 57 4ZZ -0.00147 58 4XY 0.00918 59 4XZ 0.01160 60 4YZ 0.00745 61 5 C 1S 1.99219 62 2S 0.68069 63 2PX 0.70103 64 2PY 0.71449 65 2PZ 0.69161 66 3S 0.62105 67 3PX 0.28204 68 3PY 0.32326 69 3PZ 0.29887 70 4XX -0.00312 71 4YY 0.00356 72 4ZZ -0.00149 73 4XY 0.00901 74 4XZ 0.01071 75 4YZ 0.00756 76 6 C 1S 1.99208 77 2S 0.71829 78 2PX 0.76067 79 2PY 0.72168 80 2PZ 0.53769 81 3S 0.47879 82 3PX 0.16899 83 3PY 0.08304 84 3PZ 0.34898 85 4XX 0.00154 86 4YY 0.00049 87 4ZZ -0.02260 88 4XY 0.01326 89 4XZ 0.00738 90 4YZ 0.00491 91 7 C 1S 1.99186 92 2S 0.70669 93 2PX 0.74214 94 2PY 0.75801 95 2PZ 0.58403 96 3S 0.53175 97 3PX 0.21139 98 3PY 0.23053 99 3PZ 0.42984 100 4XX 0.00212 101 4YY 0.01125 102 4ZZ -0.02291 103 4XY 0.00999 104 4XZ 0.00612 105 4YZ 0.00236 106 8 C 1S 1.99193 107 2S 0.72084 108 2PX 0.76819 109 2PY 0.74615 110 2PZ 0.52991 111 3S 0.51440 112 3PX 0.21039 113 3PY 0.23041 114 3PZ 0.37788 115 4XX 0.00255 116 4YY 0.01082 117 4ZZ -0.02311 118 4XY 0.00923 119 4XZ 0.00828 120 4YZ 0.00192 121 9 C 1S 1.99186 122 2S 0.70491 123 2PX 0.75271 124 2PY 0.72456 125 2PZ 0.60046 126 3S 0.54099 127 3PX 0.22321 128 3PY 0.20009 129 3PZ 0.46165 130 4XX 0.00607 131 4YY 0.00358 132 4ZZ -0.02247 133 4XY 0.01327 134 4XZ 0.00370 135 4YZ 0.00270 136 10 C 1S 1.99216 137 2S 0.73051 138 2PX 0.72924 139 2PY 0.73723 140 2PZ 0.48560 141 3S 0.39949 142 3PX 0.07568 143 3PY 0.08591 144 3PZ 0.27428 145 4XX 0.00963 146 4YY 0.01350 147 4ZZ -0.02445 148 4XY 0.02214 149 4XZ 0.01007 150 4YZ 0.01240 151 11 C 1S 1.99191 152 2S 0.67956 153 2PX 0.70253 154 2PY 0.73014 155 2PZ 0.71076 156 3S 0.65093 157 3PX 0.31218 158 3PY 0.37248 159 3PZ 0.35912 160 4XX -0.00155 161 4YY 0.00735 162 4ZZ 0.00591 163 4XY 0.00518 164 4XZ 0.00606 165 4YZ 0.00438 166 12 H 1S 0.52221 167 2S 0.30330 168 13 H 1S 0.52059 169 2S 0.31439 170 14 H 1S 0.52056 171 2S 0.31425 172 15 O 1S 1.99243 173 2S 0.90663 174 2PX 1.03623 175 2PY 1.01790 176 2PZ 0.81295 177 3S 1.05069 178 3PX 0.55374 179 3PY 0.56951 180 3PZ 0.53875 181 4XX -0.00850 182 4YY -0.00764 183 4ZZ -0.00816 184 4XY 0.00792 185 4XZ 0.00454 186 4YZ 0.00555 187 16 H 1S 0.53408 188 2S 0.34498 189 17 H 1S 0.53639 190 2S 0.33383 191 18 H 1S 0.52330 192 2S 0.30048 193 19 C 1S 1.99191 194 2S 0.67578 195 2PX 0.72324 196 2PY 0.70217 197 2PZ 0.71565 198 3S 0.64513 199 3PX 0.36779 200 3PY 0.30901 201 3PZ 0.36329 202 4XX 0.00310 203 4YY -0.00109 204 4ZZ 0.00369 205 4XY 0.00833 206 4XZ 0.00893 207 4YZ 0.00560 208 20 H 1S 0.52930 209 2S 0.31094 210 21 H 1S 0.52290 211 2S 0.31146 212 22 H 1S 0.52238 213 2S 0.31519 214 23 H 1S 0.52825 215 2S 0.32912 216 24 H 1S 0.53032 217 2S 0.31502 218 25 H 1S 0.52734 219 2S 0.32128 220 26 H 1S 0.53404 221 2S 0.32721 222 27 H 1S 0.53377 223 2S 0.35057 224 28 C 1S 1.99189 225 2S 0.67627 226 2PX 0.71658 227 2PY 0.70649 228 2PZ 0.71263 229 3S 0.64454 230 3PX 0.36291 231 3PY 0.31675 232 3PZ 0.35651 233 4XX 0.00021 234 4YY -0.00008 235 4ZZ 0.00277 236 4XY 0.00966 237 4XZ 0.01112 238 4YZ 0.00490 239 29 H 1S 0.52894 240 2S 0.31966 241 30 H 1S 0.52354 242 2S 0.32286 243 31 H 1S 0.52380 244 2S 0.32406 245 32 H 1S 0.52702 246 2S 0.31990 247 33 H 1S 0.52429 248 2S 0.32664 249 34 H 1S 0.52421 250 2S 0.32611 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.176940 0.363879 -0.025346 0.007006 -0.000082 0.000002 2 C 0.363879 4.592698 0.720311 -0.023637 -0.001622 -0.000003 3 C -0.025346 0.720311 4.924935 0.360679 -0.042384 0.004001 4 C 0.007006 -0.023637 0.360679 5.094165 0.346519 -0.039365 5 C -0.000082 -0.001622 -0.042384 0.346519 5.147123 0.353944 6 C 0.000002 -0.000003 0.004001 -0.039365 0.353944 4.753298 7 C -0.000000 -0.000002 0.000023 -0.005023 -0.020330 0.591713 8 C 0.000000 -0.000000 0.000002 -0.000135 0.005796 -0.020840 9 C -0.000000 0.000000 -0.000000 0.000005 -0.000224 0.003058 10 C 0.000000 0.000000 0.000000 -0.000000 0.000005 0.000446 11 C 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000007 12 H 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 13 H 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 14 H -0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 15 O 0.000000 0.000000 0.000000 -0.000000 -0.000024 0.001247 16 H 0.000000 0.000000 0.000000 0.000000 0.000002 -0.000079 17 H 0.000000 -0.000000 0.000000 -0.000005 0.000095 -0.009346 18 H -0.000000 0.000000 -0.000030 0.000278 -0.011728 -0.040481 19 C 0.000000 0.000000 0.000073 -0.002169 -0.079316 0.373647 20 H 0.000000 -0.000000 0.000000 0.000062 0.004702 -0.023461 21 H -0.000000 0.000004 -0.000058 0.002396 -0.001923 -0.032199 22 H -0.000000 -0.000001 -0.000011 -0.000464 -0.003234 -0.029568 23 H -0.000049 0.001093 0.000872 -0.042509 0.354968 -0.032663 24 H -0.000005 0.000184 -0.002743 -0.037167 0.364530 -0.034789 25 H -0.000186 0.000057 -0.030201 0.364789 -0.046468 0.000393 26 H 0.000045 -0.006479 -0.035956 0.361972 -0.036968 -0.003734 27 H -0.017385 -0.032455 0.350230 -0.064050 -0.002167 -0.000022 28 C -0.089086 0.379107 -0.048248 -0.021222 0.000348 -0.000007 29 H 0.005242 -0.024184 -0.006472 0.002279 -0.000134 0.000005 30 H -0.002185 -0.032349 0.000316 0.000309 -0.000023 0.000001 31 H -0.001960 -0.031616 -0.000472 0.000691 0.000045 -0.000002 32 H 0.363549 -0.028850 -0.004990 -0.000001 -0.000004 0.000000 33 H 0.363067 -0.032540 -0.001464 -0.000122 0.000015 -0.000000 34 H 0.362748 -0.032517 -0.001414 -0.000215 -0.000004 0.000000 7 8 9 10 11 12 1 C -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 2 C -0.000002 -0.000000 0.000000 0.000000 0.000000 -0.000000 3 C 0.000023 0.000002 -0.000000 0.000000 -0.000000 0.000000 4 C -0.005023 -0.000135 0.000005 -0.000000 0.000000 -0.000000 5 C -0.020330 0.005796 -0.000224 0.000005 -0.000000 0.000000 6 C 0.591713 -0.020840 0.003058 0.000446 0.000007 -0.000000 7 C 5.003432 0.439562 -0.034826 -0.007871 0.000265 -0.000005 8 C 0.439562 4.875865 0.577227 -0.029383 0.006258 -0.000136 9 C -0.034826 0.577227 5.218196 0.344650 -0.126947 0.005638 10 C -0.007871 -0.029383 0.344650 4.452120 0.324965 -0.020015 11 C 0.000265 0.006258 -0.126947 0.324965 5.362061 0.349410 12 H -0.000005 -0.000136 0.005638 -0.020015 0.349410 0.528035 13 H -0.000007 -0.000083 0.003811 -0.021768 0.350514 -0.021930 14 H -0.000006 -0.000087 0.003820 -0.021780 0.350583 -0.021909 15 O -0.006311 -0.012551 -0.077140 0.564453 -0.081800 0.006467 16 H 0.005415 -0.039244 0.340886 -0.039280 0.001248 -0.000047 17 H -0.057607 0.352179 -0.036872 0.004214 -0.000241 0.000003 18 H 0.345262 -0.042024 -0.014651 0.002628 0.000611 -0.000004 19 C -0.050842 -0.015887 0.000642 -0.000012 0.000000 0.000000 20 H -0.008152 0.002814 0.000003 -0.000002 -0.000000 0.000000 21 H -0.000166 0.000306 0.000004 0.000000 -0.000000 0.000000 22 H 0.000805 0.000235 0.000001 0.000000 -0.000000 0.000000 23 H 0.002000 -0.000194 0.000004 -0.000000 -0.000000 -0.000000 24 H -0.005109 0.000209 0.000004 0.000002 -0.000000 0.000000 25 H 0.002971 -0.000097 -0.000002 -0.000000 -0.000000 0.000000 26 H -0.000006 0.000012 -0.000000 0.000000 0.000000 -0.000000 27 H -0.000006 -0.000000 0.000000 -0.000000 0.000000 -0.000000 28 C -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 29 H -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 30 H 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 31 H 0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 32 H 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 33 H 0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 34 H -0.000000 -0.000000 -0.000000 -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 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 3 C -0.000000 0.000000 0.000000 0.000000 0.000000 -0.000030 4 C -0.000000 0.000000 -0.000000 0.000000 -0.000005 0.000278 5 C 0.000000 0.000000 -0.000024 0.000002 0.000095 -0.011728 6 C -0.000000 -0.000000 0.001247 -0.000079 -0.009346 -0.040481 7 C -0.000007 -0.000006 -0.006311 0.005415 -0.057607 0.345262 8 C -0.000083 -0.000087 -0.012551 -0.039244 0.352179 -0.042024 9 C 0.003811 0.003820 -0.077140 0.340886 -0.036872 -0.014651 10 C -0.021768 -0.021780 0.564453 -0.039280 0.004214 0.002628 11 C 0.350514 0.350583 -0.081800 0.001248 -0.000241 0.000611 12 H -0.021930 -0.021909 0.006467 -0.000047 0.000003 -0.000004 13 H 0.550813 -0.028145 0.001353 0.000430 0.000003 -0.000016 14 H -0.028145 0.550582 0.001345 0.000420 0.000002 -0.000017 15 O 0.001353 0.001345 8.045203 0.003694 -0.000123 0.026785 16 H 0.000430 0.000420 0.003694 0.614840 -0.009205 -0.000024 17 H 0.000003 0.000002 -0.000123 -0.009205 0.613062 0.004776 18 H -0.000016 -0.000017 0.026785 -0.000024 0.004776 0.539213 19 C 0.000000 -0.000000 -0.000002 0.000000 0.002358 0.006106 20 H 0.000000 0.000000 -0.000000 0.000008 0.007207 -0.000079 21 H -0.000000 0.000000 0.000000 -0.000000 -0.000162 -0.000134 22 H 0.000000 -0.000000 0.000000 -0.000000 -0.000127 -0.000124 23 H 0.000000 0.000000 -0.000000 -0.000000 0.000003 0.000163 24 H 0.000000 0.000000 -0.000040 0.000000 0.000011 0.007018 25 H 0.000000 0.000000 -0.000000 -0.000000 0.000003 0.000237 26 H 0.000000 -0.000000 0.000000 -0.000000 -0.000001 0.000011 27 H -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000003 28 C -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 29 H -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 30 H 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 31 H -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 32 H -0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 33 H -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 34 H 0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 19 20 21 22 23 24 1 C 0.000000 0.000000 -0.000000 -0.000000 -0.000049 -0.000005 2 C 0.000000 -0.000000 0.000004 -0.000001 0.001093 0.000184 3 C 0.000073 0.000000 -0.000058 -0.000011 0.000872 -0.002743 4 C -0.002169 0.000062 0.002396 -0.000464 -0.042509 -0.037167 5 C -0.079316 0.004702 -0.001923 -0.003234 0.354968 0.364530 6 C 0.373647 -0.023461 -0.032199 -0.029568 -0.032663 -0.034789 7 C -0.050842 -0.008152 -0.000166 0.000805 0.002000 -0.005109 8 C -0.015887 0.002814 0.000306 0.000235 -0.000194 0.000209 9 C 0.000642 0.000003 0.000004 0.000001 0.000004 0.000004 10 C -0.000012 -0.000002 0.000000 0.000000 -0.000000 0.000002 11 C 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 12 H 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 13 H 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 14 H -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 15 O -0.000002 -0.000000 0.000000 0.000000 -0.000000 -0.000040 16 H 0.000000 0.000008 -0.000000 -0.000000 -0.000000 0.000000 17 H 0.002358 0.007207 -0.000162 -0.000127 0.000003 0.000011 18 H 0.006106 -0.000079 -0.000134 -0.000124 0.000163 0.007018 19 C 5.198107 0.361051 0.364123 0.361683 -0.004529 0.005518 20 H 0.361051 0.552153 -0.027995 -0.027789 -0.000002 -0.000172 21 H 0.364123 -0.027995 0.562403 -0.034816 -0.000422 -0.000002 22 H 0.361683 -0.027789 -0.034816 0.565426 0.005370 -0.000031 23 H -0.004529 -0.000002 -0.000422 0.005370 0.605743 -0.033728 24 H 0.005518 -0.000172 -0.000002 -0.000031 -0.033728 0.576118 25 H -0.000135 -0.000019 -0.000025 0.000065 0.006319 -0.004353 26 H 0.002118 -0.000085 0.003025 0.000151 -0.005048 0.005297 27 H 0.000001 0.000000 0.000000 0.000001 -0.000178 0.004578 28 C -0.000004 0.000000 -0.000011 -0.000000 0.000216 0.000006 29 H -0.000002 0.000000 0.000020 0.000003 0.000001 0.000003 30 H -0.000000 0.000000 0.000000 0.000000 0.000005 0.000000 31 H 0.000000 -0.000000 -0.000000 0.000000 -0.000050 0.000000 32 H -0.000000 0.000000 -0.000000 0.000000 -0.000001 0.000003 33 H 0.000000 -0.000000 0.000000 0.000000 -0.000006 -0.000000 34 H -0.000000 0.000000 0.000000 0.000000 0.000001 0.000000 25 26 27 28 29 30 1 C -0.000186 0.000045 -0.017385 -0.089086 0.005242 -0.002185 2 C 0.000057 -0.006479 -0.032455 0.379107 -0.024184 -0.032349 3 C -0.030201 -0.035956 0.350230 -0.048248 -0.006472 0.000316 4 C 0.364789 0.361972 -0.064050 -0.021222 0.002279 0.000309 5 C -0.046468 -0.036968 -0.002167 0.000348 -0.000134 -0.000023 6 C 0.000393 -0.003734 -0.000022 -0.000007 0.000005 0.000001 7 C 0.002971 -0.000006 -0.000006 -0.000000 -0.000000 0.000000 8 C -0.000097 0.000012 -0.000000 -0.000000 0.000000 0.000000 9 C -0.000002 -0.000000 0.000000 0.000000 -0.000000 -0.000000 10 C -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 11 C -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 12 H 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 13 H 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 14 H 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 15 O -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 16 H -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 17 H 0.000003 -0.000001 -0.000000 0.000000 -0.000000 0.000000 18 H 0.000237 0.000011 0.000003 0.000000 -0.000000 -0.000000 19 C -0.000135 0.002118 0.000001 -0.000004 -0.000002 -0.000000 20 H -0.000019 -0.000085 0.000000 0.000000 0.000000 0.000000 21 H -0.000025 0.003025 0.000000 -0.000011 0.000020 0.000000 22 H 0.000065 0.000151 0.000001 -0.000000 0.000003 0.000000 23 H 0.006319 -0.005048 -0.000178 0.000216 0.000001 0.000005 24 H -0.004353 0.005297 0.004578 0.000006 0.000003 0.000000 25 H 0.593432 -0.035994 -0.002465 0.000438 -0.000165 0.000045 26 H -0.035994 0.596895 0.005401 0.002853 0.008139 -0.000208 27 H -0.002465 0.005401 0.625978 0.007856 -0.000040 -0.000173 28 C 0.000438 0.002853 0.007856 5.189593 0.359602 0.364530 29 H -0.000165 0.008139 -0.000040 0.359602 0.561223 -0.028258 30 H 0.000045 -0.000208 -0.000173 0.364530 -0.028258 0.577893 31 H -0.000023 -0.000197 -0.000185 0.363907 -0.028390 -0.037364 32 H -0.000010 0.000014 0.008879 0.005201 -0.000186 -0.000043 33 H -0.000004 0.000000 0.000259 -0.001092 -0.000053 -0.000881 34 H 0.000019 -0.000000 0.000287 -0.000820 -0.000033 0.004785 31 32 33 34 1 C -0.001960 0.363549 0.363067 0.362748 2 C -0.031616 -0.028850 -0.032540 -0.032517 3 C -0.000472 -0.004990 -0.001464 -0.001414 4 C 0.000691 -0.000001 -0.000122 -0.000215 5 C 0.000045 -0.000004 0.000015 -0.000004 6 C -0.000002 0.000000 -0.000000 0.000000 7 C 0.000000 0.000000 0.000000 -0.000000 8 C -0.000000 0.000000 -0.000000 -0.000000 9 C 0.000000 -0.000000 0.000000 -0.000000 10 C 0.000000 0.000000 0.000000 -0.000000 11 C -0.000000 0.000000 -0.000000 -0.000000 12 H -0.000000 0.000000 -0.000000 0.000000 13 H -0.000000 -0.000000 -0.000000 0.000000 14 H 0.000000 0.000000 0.000000 -0.000000 15 O -0.000000 0.000000 -0.000000 0.000000 16 H -0.000000 0.000000 -0.000000 0.000000 17 H -0.000000 0.000000 -0.000000 -0.000000 18 H 0.000000 -0.000000 0.000000 -0.000000 19 C 0.000000 -0.000000 0.000000 -0.000000 20 H -0.000000 0.000000 -0.000000 0.000000 21 H -0.000000 -0.000000 0.000000 0.000000 22 H 0.000000 0.000000 0.000000 0.000000 23 H -0.000050 -0.000001 -0.000006 0.000001 24 H 0.000000 0.000003 -0.000000 0.000000 25 H -0.000023 -0.000010 -0.000004 0.000019 26 H -0.000197 0.000014 0.000000 -0.000000 27 H -0.000185 0.008879 0.000259 0.000287 28 C 0.363907 0.005201 -0.001092 -0.000820 29 H -0.028390 -0.000186 -0.000053 -0.000033 30 H -0.037364 -0.000043 -0.000881 0.004785 31 H 0.579599 -0.000028 0.004793 -0.000888 32 H -0.000028 0.558348 -0.027426 -0.027532 33 H 0.004793 -0.027426 0.585408 -0.039019 34 H -0.000888 -0.027532 -0.039019 0.584926 Mulliken charges: 1 1 C -0.506193 2 C 0.188921 3 C -0.161653 4 C -0.305066 5 C -0.331458 6 C 0.184800 7 C -0.195178 8 C -0.099805 9 C -0.207286 10 C 0.446630 11 C -0.536935 12 H 0.174493 13 H 0.165025 14 H 0.165192 15 O -0.472555 16 H 0.120939 17 H 0.129771 18 H 0.176223 19 C -0.522530 20 H 0.159758 21 H 0.165632 22 H 0.162425 23 H 0.142623 24 H 0.154659 25 H 0.151381 26 H 0.138744 27 H 0.115653 28 C -0.513165 29 H 0.151402 30 H 0.153600 31 H 0.152137 32 H 0.153078 33 H 0.149064 34 H 0.149676 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.054376 2 C 0.188921 3 C -0.046000 4 C -0.014941 5 C -0.034176 6 C 0.184800 7 C -0.018955 8 C 0.029966 9 C -0.086348 10 C 0.446630 11 C -0.032225 15 O -0.472555 19 C -0.034715 28 C -0.056026 Electronic spatial extent (au): = 5973.0781 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.7159 Y= 2.7287 Z= -0.4370 Tot= 2.8547 Quadrupole moment (field-independent basis, Debye-Ang): XX= -74.0869 YY= -86.5834 ZZ= -88.0923 XY= 5.1574 XZ= -2.8451 YZ= 0.1593 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 8.8340 YY= -3.6626 ZZ= -5.1715 XY= 5.1574 XZ= -2.8451 YZ= 0.1593 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 55.7350 YYY= 6.9096 ZZZ= 0.8143 XYY= -5.4351 XXY= 11.7063 XXZ= -10.0467 XZZ= 3.6738 YZZ= -2.1152 YYZ= -0.7090 XYZ= 2.4040 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -6355.8320 YYYY= -956.7909 ZZZZ= -196.6472 XXXY= -11.0602 XXXZ= -34.8940 YYYX= 13.5717 YYYZ= -1.8321 ZZZX= -2.3443 ZZZY= 0.3798 XXYY= -1341.0951 XXZZ= -1193.1814 YYZZ= -194.2212 XXYZ= 4.8986 YYXZ= -11.2306 ZZXY= -18.7958 N-N= 8.093607482760D+02 E-N=-2.969098929358D+03 KE= 5.768847664153D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.120760 29.026176 2 O -10.263118 15.886261 3 O -10.206744 15.883683 4 O -10.205498 15.880968 5 O -10.189642 15.882450 6 O -10.189326 15.882021 7 O -10.186964 15.882440 8 O -10.186771 15.887890 9 O -10.185491 15.880120 10 O -10.179962 15.882166 11 O -10.179487 15.880834 12 O -10.178341 15.879990 13 O -10.177033 15.882065 14 O -10.174802 15.881774 15 O -1.018058 2.632027 16 O -0.830294 1.431096 17 O -0.808702 1.461015 18 O -0.784557 1.528775 19 O -0.749932 1.444786 20 O -0.732121 1.437672 21 O -0.692149 1.426378 22 O -0.689707 1.339036 23 O -0.674447 1.490661 24 O -0.622421 1.486952 25 O -0.593997 1.482290 26 O -0.535827 1.339646 27 O -0.516154 1.232168 28 O -0.505260 1.436416 29 O -0.481350 1.125059 30 O -0.464806 1.110902 31 O -0.453087 1.298306 32 O -0.441024 1.226012 33 O -0.434029 1.219594 34 O -0.429992 1.015458 35 O -0.429352 0.951537 36 O -0.419327 1.000868 37 O -0.412580 1.184855 38 O -0.400740 1.426713 39 O -0.385221 1.416530 40 O -0.382746 1.014263 41 O -0.376279 1.308915 42 O -0.372845 1.226375 43 O -0.370570 1.312360 44 O -0.366634 1.200205 45 O -0.361327 1.295492 46 O -0.352657 1.449365 47 O -0.343390 1.285086 48 O -0.332530 1.288128 49 O -0.319487 1.395379 50 O -0.304831 1.275458 51 O -0.233393 1.351822 52 O -0.231760 2.122196 53 O -0.219844 1.273746 54 V -0.060853 1.533034 55 V 0.028096 1.460692 56 V 0.036277 1.538618 57 V 0.081570 0.964064 58 V 0.097256 1.039683 59 V 0.099096 1.243847 60 V 0.107063 0.946717 61 V 0.118544 0.958510 62 V 0.120373 1.019173 63 V 0.133548 1.034712 64 V 0.144508 0.920342 65 V 0.151648 1.096795 66 V 0.162790 1.045696 67 V 0.163104 1.059951 68 V 0.165760 1.052346 69 V 0.170102 1.050590 70 V 0.175968 1.007465 71 V 0.179359 1.046456 72 V 0.186234 0.970858 73 V 0.192287 1.212334 74 V 0.203837 1.243688 75 V 0.216376 1.429372 76 V 0.223692 1.680640 77 V 0.231265 1.528812 78 V 0.236400 1.538290 79 V 0.245345 1.499683 80 V 0.254850 1.374148 81 V 0.256635 1.616192 82 V 0.266784 1.618074 83 V 0.281479 1.780376 84 V 0.312522 1.711487 85 V 0.341968 1.492957 86 V 0.364572 1.627305 87 V 0.385979 1.893968 88 V 0.418563 1.817392 89 V 0.453072 1.668539 90 V 0.454866 1.691821 91 V 0.484241 1.917156 92 V 0.499895 1.863240 93 V 0.514422 1.862826 94 V 0.519913 2.027405 95 V 0.528431 2.071097 96 V 0.538206 2.014334 97 V 0.548745 1.871503 98 V 0.559373 1.871424 99 V 0.561738 2.250216 100 V 0.575606 1.978236 101 V 0.584705 2.001505 102 V 0.589548 2.171232 103 V 0.594733 2.157266 104 V 0.598753 1.978398 105 V 0.612296 2.375616 106 V 0.637649 2.048551 107 V 0.639364 2.143880 108 V 0.648177 2.269759 109 V 0.657200 2.088845 110 V 0.672784 1.985925 111 V 0.689300 2.220448 112 V 0.694434 2.552865 113 V 0.700666 2.236350 114 V 0.714234 2.551633 115 V 0.731796 2.393584 116 V 0.735721 2.334061 117 V 0.738062 2.212318 118 V 0.745697 2.218151 119 V 0.747253 2.215931 120 V 0.777824 2.432659 121 V 0.786857 2.255672 122 V 0.806794 2.399172 123 V 0.825223 2.672741 124 V 0.830945 2.514938 125 V 0.833277 2.554572 126 V 0.840633 2.465389 127 V 0.861154 2.677490 128 V 0.865558 2.590849 129 V 0.875186 2.505131 130 V 0.878047 2.556470 131 V 0.891882 2.433832 132 V 0.897710 2.454533 133 V 0.900975 2.515147 134 V 0.906469 2.546397 135 V 0.916055 2.587605 136 V 0.920437 2.564405 137 V 0.930296 2.464039 138 V 0.942452 2.562306 139 V 0.946715 2.605684 140 V 0.951645 2.560738 141 V 0.959302 2.631404 142 V 0.964264 2.681280 143 V 0.977870 2.675768 144 V 0.988170 2.579408 145 V 1.002979 2.690536 146 V 1.021270 2.594009 147 V 1.032633 3.351694 148 V 1.036712 2.619071 149 V 1.051371 2.623176 150 V 1.085402 2.326965 151 V 1.118877 2.454240 152 V 1.145901 2.379906 153 V 1.179185 2.173377 154 V 1.201713 2.442063 155 V 1.222973 2.295018 156 V 1.231271 2.324268 157 V 1.283722 2.806795 158 V 1.307657 2.505502 159 V 1.344465 2.542815 160 V 1.360868 2.590694 161 V 1.387938 2.519356 162 V 1.391871 2.561697 163 V 1.400057 2.558808 164 V 1.404356 2.556810 165 V 1.428909 2.560466 166 V 1.442507 2.568595 167 V 1.469418 2.654733 168 V 1.478476 2.587515 169 V 1.504369 2.697737 170 V 1.519558 2.777415 171 V 1.543512 2.658875 172 V 1.566151 2.730293 173 V 1.622648 2.806125 174 V 1.681001 2.922139 175 V 1.712721 2.927399 176 V 1.731910 2.961685 177 V 1.749080 3.136684 178 V 1.804158 3.068754 179 V 1.809843 2.968292 180 V 1.821042 3.223401 181 V 1.838899 3.152631 182 V 1.849373 3.118290 183 V 1.850268 3.160195 184 V 1.857972 3.223546 185 V 1.870109 3.141127 186 V 1.895350 3.171414 187 V 1.907791 3.087126 188 V 1.915208 3.292530 189 V 1.931975 3.105487 190 V 1.940602 3.160952 191 V 1.961172 3.267757 192 V 1.984216 3.296178 193 V 1.995783 3.241047 194 V 1.999793 3.334552 195 V 2.022269 3.295113 196 V 2.045449 3.349913 197 V 2.055156 3.290729 198 V 2.069119 3.410543 199 V 2.086820 3.362385 200 V 2.117065 3.502070 201 V 2.132428 3.537917 202 V 2.139186 3.436677 203 V 2.149821 3.610512 204 V 2.200508 3.546143 205 V 2.217005 3.632534 206 V 2.225534 3.581938 207 V 2.269555 3.742840 208 V 2.278362 3.638140 209 V 2.299458 3.723783 210 V 2.305278 3.658903 211 V 2.343550 3.678651 212 V 2.357532 3.725527 213 V 2.380647 3.785765 214 V 2.388269 3.798027 215 V 2.417655 3.714071 216 V 2.422772 3.757067 217 V 2.434869 3.793089 218 V 2.467305 4.054219 219 V 2.483680 3.947928 220 V 2.496377 4.055365 221 V 2.519776 3.883647 222 V 2.534450 4.008283 223 V 2.565313 3.994809 224 V 2.609130 4.207462 225 V 2.624520 4.196564 226 V 2.666681 3.923887 227 V 2.693812 4.270742 228 V 2.735049 4.352209 229 V 2.827985 4.485352 230 V 2.874536 4.751058 231 V 2.902557 4.774428 232 V 2.916163 4.647620 233 V 2.984039 5.023106 234 V 3.062381 4.845971 235 V 3.108976 4.911504 236 V 3.238560 5.130467 237 V 3.988603 10.239131 238 V 4.086199 10.204352 239 V 4.109231 10.220809 240 V 4.153431 10.245150 241 V 4.222669 10.304761 242 V 4.231074 10.582635 243 V 4.246885 10.260524 244 V 4.285901 10.297360 245 V 4.316302 10.276525 246 V 4.352367 10.412498 247 V 4.487952 10.477830 248 V 4.513879 10.340275 249 V 4.571433 10.260287 250 V 4.619920 10.204126 Total kinetic energy from orbitals= 5.768847664153D+02 Running external command "gaunbo6 R" input file "/scratch/webmo-13362/513796/Gau-19208.EIn" output file "/scratch/webmo-13362/513796/Gau-19208.EOu" message file "/scratch/webmo-13362/513796/Gau-19208.EMs" fchk file "/scratch/webmo-13362/513796/Gau-19208.EFC" mat. el file "/scratch/webmo-13362/513796/Gau-19208.EUF" Writing WrtUnf unformatted file "/scratch/webmo-13362/513796/Gau-19208.EUF" Gaussian matrix elements Version 2 NLab=11 Len12L=8 Len4L=8 Write SHELL TO ATOM MAP from file 0 offset 0 length 96 to matrix element file. Write SHELL TYPES from file 0 offset 0 length 96 to matrix element file. Write NUMBER OF PRIMITIVES PER SHELL from file 0 offset 0 length 96 to matrix element file. Write PRIMITIVE EXPONENTS from file 0 offset 0 length 234 to matrix element file. Write CONTRACTION COEFFICIENTS from file 0 offset 0 length 234 to matrix element file. Write P(S=P) CONTRACTION COEFFICIENTS from file 0 offset 0 length 234 to matrix element file. Write COORDINATES OF EACH SHELL from file 0 offset 0 length 288 to matrix element file. Write BONDS PER ATOM from file 0 offset 0 length 34 to matrix element file. Write BONDED ATOMS from file 0 offset 0 length 66 to matrix element file. Write BOND TYPES from file 0 offset 0 length 66 to matrix element file. Write ONIOM CHARGE/MULT from file 0 offset 0 length 32 to matrix element file. Write ONIOM ATOM LAYERS from file 0 offset 0 length 34 to matrix element file. Write ONIOM ATOM MODIFIERS from file 0 offset 0 length 34 to matrix element file. Write ONIOM ATOM TYPES from file 0 offset 0 length 34 to matrix element file. Write ONIOM LINK ATOMS from file 0 offset 0 length 34 to matrix element file. Write ONIOM LINK CHARGES from file 0 offset 0 length 34 to matrix element file. Write ONIOM LINK DISTANCES from file 0 offset 0 length 136 to matrix element file. Write SYMINF INTS from file 0 offset 0 length 26 to matrix element file. Write ROTTR TO SO from file 0 offset 0 length 12 to matrix element file. Write GAUSSIAN SCALARS from file 501 offset 0 to matrix element file. Write OPTIMIZATION FLAGS from file 0 offset 0 length 34 to matrix element file. Write INTEGER ISO from file 0 offset 0 length 34 to matrix element file. Write INTEGER SPIN from file 0 offset 0 length 34 to matrix element file. Write REAL ZEFFECTIVE from file 0 offset 0 length 34 to matrix element file. Write REAL GFACTOR from file 0 offset 0 length 34 to matrix element file. Write REAL ZNUCLEAR from file 0 offset 0 length 34 to matrix element file. Write MULLIKEN CHARGES from file 0 offset 0 length 34 to matrix element file. Write NUCLEAR GRADIENT from file 10584 offset 0 length 102 to matrix element file. Array NUCLEAR FORCE CONSTANTS on file 10585 does not exist. Write ELECTRIC DIPOLE MOMENT from file 0 offset 0 length 3 to matrix element file. Write NON-ADIABATIC COUPLING from file 10810 offset 0 length 102 to matrix element file. Write FINITE EM FIELD from file 10521 offset 0 length 35 to matrix element file. Write OVERLAP from file 10514 offset 0 length 31375 to matrix element file. Write CORE HAMILTONIAN ALPHA from file 10515 offset 0 length 31375 to matrix element file. Write CORE HAMILTONIAN BETA from file 10515 offset 31375 length 31375 to matrix element file. Write KINETIC ENERGY from file 10516 offset 0 length 31375 to matrix element file. Write ORTHOGONAL BASIS from file 10685 offset 0 length 62500 to matrix element file. Write DIPOLE INTEGRALS from file 10518 offset 0 length 94125 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 250 to matrix element file. Write ALPHA MO COEFFICIENTS from file 10524 offset 0 length 62500 to matrix element file. Write ALPHA DENSITY MATRIX from file 0 offset 0 length 31375 to matrix element file. Write ALPHA FOCK MATRIX from file 10536 offset 0 length 31375 to matrix element file. Write ENERGY-WEIGHTED DENSITY from file 10571 offset 0 length 31375 to matrix element file. Write ALPHA SCF DENSITY MATRIX from file 0 offset 0 length 31375 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: t-c pseudoionone C13H20O NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ------------------------------------------------------- 1 C 1 s Cor( 1s) 1.99999 -10.17700 2 C 1 s Val( 2s) 1.10433 -0.17671 3 C 1 s Ryd( 3s) 0.00020 1.28184 4 C 1 s Ryd( 4s) 0.00003 4.25645 5 C 1 px Val( 2p) 1.18180 -0.06648 6 C 1 px Ryd( 3p) 0.00162 0.61512 7 C 1 py Val( 2p) 1.16876 -0.06425 8 C 1 py Ryd( 3p) 0.00169 0.63497 9 C 1 pz Val( 2p) 1.22894 -0.07900 10 C 1 pz Ryd( 3p) 0.00023 0.63884 11 C 1 dxy Ryd( 3d) 0.00101 2.20088 12 C 1 dxz Ryd( 3d) 0.00155 2.18558 13 C 1 dyz Ryd( 3d) 0.00045 1.89691 14 C 1 dx2y2 Ryd( 3d) 0.00052 2.02553 15 C 1 dz2 Ryd( 3d) 0.00069 2.02158 16 C 2 s Cor( 1s) 2.00000 -10.18960 17 C 2 s Val( 2s) 0.89702 -0.06519 18 C 2 s Ryd( 3s) 0.00037 1.00525 19 C 2 s Ryd( 4s) 0.00007 4.32676 20 C 2 px Val( 2p) 1.08458 0.01440 21 C 2 px Ryd( 3p) 0.00250 0.83693 22 C 2 py Val( 2p) 1.02751 -0.00802 23 C 2 py Ryd( 3p) 0.00372 1.04800 24 C 2 pz Val( 2p) 0.99011 -0.07564 25 C 2 pz Ryd( 3p) 0.00240 0.72144 26 C 2 dxy Ryd( 3d) 0.00082 2.38876 27 C 2 dxz Ryd( 3d) 0.00095 2.01602 28 C 2 dyz Ryd( 3d) 0.00034 1.97690 29 C 2 dx2y2 Ryd( 3d) 0.00081 2.37011 30 C 2 dz2 Ryd( 3d) 0.00046 2.18183 31 C 3 s Cor( 1s) 2.00000 -10.17478 32 C 3 s Val( 2s) 0.95621 -0.07626 33 C 3 s Ryd( 3s) 0.00104 1.12557 34 C 3 s Ryd( 4s) 0.00006 4.23598 35 C 3 px Val( 2p) 1.07457 0.02135 36 C 3 px Ryd( 3p) 0.00222 0.77449 37 C 3 py Val( 2p) 1.14508 -0.03148 38 C 3 py Ryd( 3p) 0.00402 1.03989 39 C 3 pz Val( 2p) 1.03923 -0.08305 40 C 3 pz Ryd( 3p) 0.00276 0.69725 41 C 3 dxy Ryd( 3d) 0.00083 2.32076 42 C 3 dxz Ryd( 3d) 0.00083 2.01920 43 C 3 dyz Ryd( 3d) 0.00033 1.89084 44 C 3 dx2y2 Ryd( 3d) 0.00103 2.35522 45 C 3 dz2 Ryd( 3d) 0.00059 2.16177 46 C 4 s Cor( 1s) 1.99999 -10.18679 47 C 4 s Val( 2s) 1.03949 -0.15252 48 C 4 s Ryd( 3s) 0.00077 1.42473 49 C 4 s Ryd( 4s) 0.00003 4.35567 50 C 4 px Val( 2p) 1.10143 -0.05316 51 C 4 px Ryd( 3p) 0.00306 0.79950 52 C 4 py Val( 2p) 1.18779 -0.06769 53 C 4 py Ryd( 3p) 0.00304 0.82865 54 C 4 pz Val( 2p) 1.12995 -0.06310 55 C 4 pz Ryd( 3p) 0.00085 0.64969 56 C 4 dxy Ryd( 3d) 0.00092 2.22247 57 C 4 dxz Ryd( 3d) 0.00118 2.22300 58 C 4 dyz Ryd( 3d) 0.00082 2.02868 59 C 4 dx2y2 Ryd( 3d) 0.00058 2.05027 60 C 4 dz2 Ryd( 3d) 0.00061 2.04100 61 C 5 s Cor( 1s) 1.99999 -10.18686 62 C 5 s Val( 2s) 1.04094 -0.15612 63 C 5 s Ryd( 3s) 0.00068 1.45578 64 C 5 s Ryd( 4s) 0.00004 4.32238 65 C 5 px Val( 2p) 1.08750 -0.05298 66 C 5 px Ryd( 3p) 0.00259 0.78806 67 C 5 py Val( 2p) 1.19948 -0.07508 68 C 5 py Ryd( 3p) 0.00403 0.86258 69 C 5 pz Val( 2p) 1.13296 -0.06641 70 C 5 pz Ryd( 3p) 0.00098 0.66479 71 C 5 dxy Ryd( 3d) 0.00092 2.18602 72 C 5 dxz Ryd( 3d) 0.00108 2.20850 73 C 5 dyz Ryd( 3d) 0.00087 2.02678 74 C 5 dx2y2 Ryd( 3d) 0.00065 2.11471 75 C 5 dz2 Ryd( 3d) 0.00061 2.03577 76 C 6 s Cor( 1s) 2.00000 -10.20670 77 C 6 s Val( 2s) 0.90198 -0.08088 78 C 6 s Ryd( 3s) 0.00069 1.08652 79 C 6 s Ryd( 4s) 0.00006 4.33629 80 C 6 px Val( 2p) 1.06510 0.00097 81 C 6 px Ryd( 3p) 0.00306 0.91494 82 C 6 py Val( 2p) 1.03606 -0.01170 83 C 6 py Ryd( 3p) 0.00359 1.06574 84 C 6 pz Val( 2p) 0.92352 -0.08972 85 C 6 pz Ryd( 3p) 0.00318 0.72731 86 C 6 dxy Ryd( 3d) 0.00082 2.41540 87 C 6 dxz Ryd( 3d) 0.00079 2.00132 88 C 6 dyz Ryd( 3d) 0.00042 1.94434 89 C 6 dx2y2 Ryd( 3d) 0.00087 2.37001 90 C 6 dz2 Ryd( 3d) 0.00048 2.21673 91 C 7 s Cor( 1s) 2.00000 -10.17832 92 C 7 s Val( 2s) 0.96222 -0.07159 93 C 7 s Ryd( 3s) 0.00096 1.17789 94 C 7 s Ryd( 4s) 0.00005 4.10298 95 C 7 px Val( 2p) 1.06169 0.01366 96 C 7 px Ryd( 3p) 0.00363 0.84779 97 C 7 py Val( 2p) 1.21658 -0.03968 98 C 7 py Ryd( 3p) 0.00516 1.12243 99 C 7 pz Val( 2p) 1.02674 -0.08908 100 C 7 pz Ryd( 3p) 0.00086 0.65914 101 C 7 dxy Ryd( 3d) 0.00082 2.36864 102 C 7 dxz Ryd( 3d) 0.00062 2.02156 103 C 7 dyz Ryd( 3d) 0.00041 1.85004 104 C 7 dx2y2 Ryd( 3d) 0.00105 2.39463 105 C 7 dz2 Ryd( 3d) 0.00067 2.18910 106 C 8 s Cor( 1s) 2.00000 -10.20546 107 C 8 s Val( 2s) 0.96937 -0.09501 108 C 8 s Ryd( 3s) 0.00091 1.19772 109 C 8 s Ryd( 4s) 0.00005 4.04489 110 C 8 px Val( 2p) 1.06808 0.00588 111 C 8 px Ryd( 3p) 0.00312 0.79970 112 C 8 py Val( 2p) 1.17874 -0.04732 113 C 8 py Ryd( 3p) 0.00588 1.09541 114 C 8 pz Val( 2p) 0.91836 -0.09850 115 C 8 pz Ryd( 3p) 0.00041 0.64224 116 C 8 dxy Ryd( 3d) 0.00069 2.34613 117 C 8 dxz Ryd( 3d) 0.00085 2.01784 118 C 8 dyz Ryd( 3d) 0.00027 1.82532 119 C 8 dx2y2 Ryd( 3d) 0.00117 2.38496 120 C 8 dz2 Ryd( 3d) 0.00067 2.17530 121 C 9 s Cor( 1s) 2.00000 -10.18547 122 C 9 s Val( 2s) 0.99399 -0.10833 123 C 9 s Ryd( 3s) 0.00108 1.06078 124 C 9 s Ryd( 4s) 0.00008 4.19889 125 C 9 px Val( 2p) 1.15023 -0.02331 126 C 9 px Ryd( 3p) 0.00353 0.95787 127 C 9 py Val( 2p) 1.10797 -0.02758 128 C 9 py Ryd( 3p) 0.00417 0.93842 129 C 9 pz Val( 2p) 1.07681 -0.10501 130 C 9 pz Ryd( 3p) 0.00145 0.66106 131 C 9 dxy Ryd( 3d) 0.00105 2.38946 132 C 9 dxz Ryd( 3d) 0.00046 1.92258 133 C 9 dyz Ryd( 3d) 0.00023 1.90650 134 C 9 dx2y2 Ryd( 3d) 0.00085 2.32566 135 C 9 dz2 Ryd( 3d) 0.00062 2.17248 136 C 10 s Cor( 1s) 2.00000 -10.26309 137 C 10 s Val( 2s) 0.85817 -0.09693 138 C 10 s Ryd( 3s) 0.00397 1.26623 139 C 10 s Ryd( 4s) 0.00020 3.76000 140 C 10 px Val( 2p) 0.90709 0.01234 141 C 10 px Ryd( 3p) 0.01043 0.94429 142 C 10 py Val( 2p) 0.90329 0.03351 143 C 10 py Ryd( 3p) 0.01087 0.75618 144 C 10 pz Val( 2p) 0.76358 -0.09012 145 C 10 pz Ryd( 3p) 0.00228 0.64232 146 C 10 dxy Ryd( 3d) 0.00149 2.38577 147 C 10 dxz Ryd( 3d) 0.00102 2.02252 148 C 10 dyz Ryd( 3d) 0.00128 2.05277 149 C 10 dx2y2 Ryd( 3d) 0.00323 2.49212 150 C 10 dz2 Ryd( 3d) 0.00058 2.23085 151 C 11 s Cor( 1s) 1.99999 -10.17945 152 C 11 s Val( 2s) 1.13898 -0.19934 153 C 11 s Ryd( 3s) 0.00028 1.36759 154 C 11 s Ryd( 4s) 0.00002 4.17077 155 C 11 px Val( 2p) 1.12222 -0.07067 156 C 11 px Ryd( 3p) 0.00092 0.54431 157 C 11 py Val( 2p) 1.25809 -0.08682 158 C 11 py Ryd( 3p) 0.00225 0.70577 159 C 11 pz Val( 2p) 1.23674 -0.08945 160 C 11 pz Ryd( 3p) 0.00018 0.63382 161 C 11 dxy Ryd( 3d) 0.00065 2.02638 162 C 11 dxz Ryd( 3d) 0.00062 1.98367 163 C 11 dyz Ryd( 3d) 0.00077 1.92183 164 C 11 dx2y2 Ryd( 3d) 0.00108 2.20487 165 C 11 dz2 Ryd( 3d) 0.00101 2.11845 166 H 12 s Val( 1s) 0.74406 0.11558 167 H 12 s Ryd( 2s) 0.00159 0.65596 168 H 13 s Val( 1s) 0.75302 0.08887 169 H 13 s Ryd( 2s) 0.00076 0.66117 170 H 14 s Val( 1s) 0.75292 0.08894 171 H 14 s Ryd( 2s) 0.00076 0.66113 172 O 15 s Cor( 1s) 2.00000 -19.12067 173 O 15 s Val( 2s) 1.70044 -0.64865 174 O 15 s Ryd( 3s) 0.00051 1.95064 175 O 15 s Ryd( 4s) 0.00004 3.62230 176 O 15 px Val( 2p) 1.74253 -0.24639 177 O 15 px Ryd( 3p) 0.00161 1.31436 178 O 15 py Val( 2p) 1.72277 -0.25014 179 O 15 py Ryd( 3p) 0.00138 1.24641 180 O 15 pz Val( 2p) 1.38566 -0.22527 181 O 15 pz Ryd( 3p) 0.00052 1.04685 182 O 15 dxy Ryd( 3d) 0.00361 2.40831 183 O 15 dxz Ryd( 3d) 0.00168 1.97129 184 O 15 dyz Ryd( 3d) 0.00202 1.98886 185 O 15 dx2y2 Ryd( 3d) 0.00292 2.16030 186 O 15 dz2 Ryd( 3d) 0.00130 2.04324 187 H 16 s Val( 1s) 0.77013 0.09821 188 H 16 s Ryd( 2s) 0.00097 0.61323 189 H 17 s Val( 1s) 0.77425 0.09565 190 H 17 s Ryd( 2s) 0.00119 0.66948 191 H 18 s Val( 1s) 0.73355 0.14561 192 H 18 s Ryd( 2s) 0.00213 0.73632 193 C 19 s Cor( 1s) 1.99999 -10.18929 194 C 19 s Val( 2s) 1.10074 -0.18701 195 C 19 s Ryd( 3s) 0.00021 1.30904 196 C 19 s Ryd( 4s) 0.00002 4.26378 197 C 19 px Val( 2p) 1.24584 -0.09274 198 C 19 px Ryd( 3p) 0.00229 0.68720 199 C 19 py Val( 2p) 1.11063 -0.06222 200 C 19 py Ryd( 3p) 0.00104 0.55572 201 C 19 pz Val( 2p) 1.24210 -0.09472 202 C 19 pz Ryd( 3p) 0.00025 0.64349 203 C 19 dxy Ryd( 3d) 0.00083 2.13199 204 C 19 dxz Ryd( 3d) 0.00131 2.10198 205 C 19 dyz Ryd( 3d) 0.00053 1.89311 206 C 19 dx2y2 Ryd( 3d) 0.00070 2.11769 207 C 19 dz2 Ryd( 3d) 0.00080 2.05428 208 H 20 s Val( 1s) 0.76232 0.09969 209 H 20 s Ryd( 2s) 0.00067 0.72161 210 H 21 s Val( 1s) 0.75414 0.08904 211 H 21 s Ryd( 2s) 0.00095 0.70802 212 H 22 s Val( 1s) 0.75265 0.08793 213 H 22 s Ryd( 2s) 0.00115 0.66855 214 H 23 s Val( 1s) 0.75640 0.09942 215 H 23 s Ryd( 2s) 0.00188 0.67930 216 H 24 s Val( 1s) 0.75281 0.11014 217 H 24 s Ryd( 2s) 0.00140 0.70286 218 H 25 s Val( 1s) 0.75140 0.10625 219 H 25 s Ryd( 2s) 0.00172 0.67397 220 H 26 s Val( 1s) 0.77173 0.10395 221 H 26 s Ryd( 2s) 0.00119 0.79203 222 H 27 s Val( 1s) 0.77808 0.10666 223 H 27 s Ryd( 2s) 0.00145 0.65228 224 C 28 s Cor( 1s) 1.99999 -10.17993 225 C 28 s Val( 2s) 1.10123 -0.17731 226 C 28 s Ryd( 3s) 0.00020 1.30011 227 C 28 s Ryd( 4s) 0.00002 4.26192 228 C 28 px Val( 2p) 1.22091 -0.07809 229 C 28 px Ryd( 3p) 0.00188 0.65928 230 C 28 py Val( 2p) 1.13407 -0.05660 231 C 28 py Ryd( 3p) 0.00118 0.59054 232 C 28 pz Val( 2p) 1.23516 -0.08324 233 C 28 pz Ryd( 3p) 0.00028 0.64749 234 C 28 dxy Ryd( 3d) 0.00111 2.21570 235 C 28 dxz Ryd( 3d) 0.00151 2.16868 236 C 28 dyz Ryd( 3d) 0.00050 1.90919 237 C 28 dx2y2 Ryd( 3d) 0.00040 2.01006 238 C 28 dz2 Ryd( 3d) 0.00066 2.01340 239 H 29 s Val( 1s) 0.76603 0.10612 240 H 29 s Ryd( 2s) 0.00068 0.72576 241 H 30 s Val( 1s) 0.75957 0.09454 242 H 30 s Ryd( 2s) 0.00123 0.67131 243 H 31 s Val( 1s) 0.76028 0.09381 244 H 31 s Ryd( 2s) 0.00119 0.67142 245 H 32 s Val( 1s) 0.76188 0.10678 246 H 32 s Ryd( 2s) 0.00084 0.67740 247 H 33 s Val( 1s) 0.76345 0.09572 248 H 33 s Ryd( 2s) 0.00126 0.67325 249 H 34 s Val( 1s) 0.76311 0.09606 250 H 34 s Ryd( 2s) 0.00128 0.67312 Summary of Natural Population Analysis: Natural Population Natural --------------------------------------------- Atom No Charge Core Valence Rydberg Total -------------------------------------------------------------------- C 1 -0.69181 1.99999 4.68383 0.00799 6.69181 C 2 -0.01167 2.00000 3.99922 0.01245 6.01167 C 3 -0.22879 2.00000 4.21509 0.01370 6.22879 C 4 -0.47052 1.99999 4.45866 0.01186 6.47052 C 5 -0.47331 1.99999 4.46087 0.01244 6.47331 C 6 0.05939 2.00000 3.92667 0.01395 5.94061 C 7 -0.28146 2.00000 4.26723 0.01423 6.28146 C 8 -0.14858 2.00000 4.13454 0.01404 6.14858 C 9 -0.34252 2.00000 4.32899 0.01353 6.34252 C 10 0.53252 2.00000 3.43212 0.03536 5.46748 C 11 -0.76382 1.99999 4.75603 0.00779 6.76382 H 12 0.25436 0.00000 0.74406 0.00159 0.74564 H 13 0.24622 0.00000 0.75302 0.00076 0.75378 H 14 0.24632 0.00000 0.75292 0.00076 0.75368 O 15 -0.56699 2.00000 6.55140 0.01560 8.56699 H 16 0.22890 0.00000 0.77013 0.00097 0.77110 H 17 0.22456 0.00000 0.77425 0.00119 0.77544 H 18 0.26432 0.00000 0.73355 0.00213 0.73568 C 19 -0.70729 1.99999 4.69931 0.00799 6.70729 H 20 0.23701 0.00000 0.76232 0.00067 0.76299 H 21 0.24492 0.00000 0.75414 0.00095 0.75508 H 22 0.24620 0.00000 0.75265 0.00115 0.75380 H 23 0.24172 0.00000 0.75640 0.00188 0.75828 H 24 0.24579 0.00000 0.75281 0.00140 0.75421 H 25 0.24688 0.00000 0.75140 0.00172 0.75312 H 26 0.22708 0.00000 0.77173 0.00119 0.77292 H 27 0.22047 0.00000 0.77808 0.00145 0.77953 C 28 -0.69910 1.99999 4.69136 0.00775 6.69910 H 29 0.23330 0.00000 0.76603 0.00068 0.76670 H 30 0.23920 0.00000 0.75957 0.00123 0.76080 H 31 0.23854 0.00000 0.76028 0.00119 0.76146 H 32 0.23728 0.00000 0.76188 0.00084 0.76272 H 33 0.23529 0.00000 0.76345 0.00126 0.76471 H 34 0.23561 0.00000 0.76311 0.00128 0.76439 ==================================================================== * Total * 0.00000 27.99994 77.78710 0.21296 106.00000 Natural Population --------------------------------------------------------- Core 27.99994 ( 99.9998% of 28) Valence 77.78710 ( 99.7271% of 78) Natural Minimal Basis 105.78704 ( 99.7991% of 106) Natural Rydberg Basis 0.21296 ( 0.2009% of 106) --------------------------------------------------------- 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( 0.96)2p( 3.26)3p( 0.01) C 4 [core]2s( 1.04)2p( 3.42)3p( 0.01) C 5 [core]2s( 1.04)2p( 3.42)3p( 0.01) C 6 [core]2s( 0.90)2p( 3.02)3p( 0.01) C 7 [core]2s( 0.96)2p( 3.31)3p( 0.01) C 8 [core]2s( 0.97)2p( 3.17)3p( 0.01) C 9 [core]2s( 0.99)2p( 3.34)3p( 0.01) C 10 [core]2s( 0.86)2p( 2.57)3p( 0.02)3d( 0.01) C 11 [core]2s( 1.14)2p( 3.62) H 12 1s( 0.74) H 13 1s( 0.75) H 14 1s( 0.75) O 15 [core]2s( 1.70)2p( 4.85)3d( 0.01) H 16 1s( 0.77) H 17 1s( 0.77) H 18 1s( 0.73) C 19 [core]2s( 1.10)2p( 3.60) H 20 1s( 0.76) H 21 1s( 0.75) H 22 1s( 0.75) H 23 1s( 0.76) H 24 1s( 0.75) H 25 1s( 0.75) H 26 1s( 0.77) H 27 1s( 0.78) C 28 [core]2s( 1.10)2p( 3.59) H 29 1s( 0.77) H 30 1s( 0.76) H 31 1s( 0.76) H 32 1s( 0.76) H 33 1s( 0.76) H 34 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 1.90 103.25533 2.74467 14 35 0 4 3 3 2 2 1.89 103.25749 2.74251 14 35 0 4 2 3 3 2 1.83 104.02264 1.97736 14 36 0 3 1 3 4 2 1.82 104.82977 1.17023 14 37 0 2 0 3 ---------------------------------------------------------------------------- Structure accepted: No low occupancy Lewis orbitals ------------------------------------------------------- Core 27.99994 (100.000% of 28) Valence Lewis 76.82983 ( 98.500% of 78) ================== ============================= Total Lewis 104.82977 ( 98.896% of 106) ----------------------------------------------------- Valence non-Lewis 1.02576 ( 0.968% of 106) Rydberg non-Lewis 0.14448 ( 0.136% of 106) ================== ============================= Total non-Lewis 1.17023 ( 1.104% of 106) ------------------------------------------------------- (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. (2.00000) CR ( 1) C 3 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4. (1.99999) CR ( 1) C 4 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5. (1.99999) CR ( 1) C 5 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6. (2.00000) CR ( 1) C 6 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7. (2.00000) CR ( 1) C 7 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 8. (2.00000) CR ( 1) C 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 9. (2.00000) 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 10. (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 11. (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 12. (2.00000) CR ( 1) O 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 13. (1.99999) CR ( 1) C 19 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14. (1.99999) CR ( 1) C 28 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. (1.97598) LP ( 1) O 15 s( 58.03%)p 0.72( 41.92%)d 0.00( 0.05%) 0.0000 0.7618 0.0074 0.0007 -0.3976 0.0006 -0.4899 0.0000 0.1453 -0.0001 -0.0163 0.0053 0.0065 0.0037 0.0103 16. (1.89000) LP ( 2) O 15 s( 0.07%)p99.99( 99.77%)d 2.30( 0.16%) 0.0000 0.0258 0.0059 0.0003 -0.7499 -0.0096 0.6588 0.0085 0.0341 0.0005 -0.0061 0.0076 -0.0050 -0.0386 -0.0011 17. (1.98113) BD ( 1) C 1- C 2 ( 49.85%) 0.7061* C 1 s( 29.33%)p 2.41( 70.62%)d 0.00( 0.06%) 0.0000 0.5415 -0.0073 -0.0032 0.5554 0.0034 0.5949 0.0017 -0.2092 -0.0008 0.0195 -0.0067 -0.0073 -0.0019 -0.0094 ( 50.15%) 0.7081* C 2 s( 30.41%)p 2.29( 69.54%)d 0.00( 0.05%) 0.0000 0.5514 0.0041 0.0012 -0.5439 0.0040 -0.5965 0.0017 0.2092 -0.0005 0.0158 -0.0062 -0.0080 -0.0011 -0.0119 18. (1.99058) BD ( 1) C 1- H 32 ( 61.89%) 0.7867* C 1 s( 24.24%)p 3.12( 75.67%)d 0.00( 0.08%) 0.0000 0.4924 0.0001 0.0009 0.3947 -0.0155 -0.7560 -0.0012 0.1710 0.0016 -0.0198 0.0043 -0.0084 -0.0127 -0.0132 ( 38.11%) 0.6173* H 32 s(100.00%) 1.0000 0.0007 19. (1.98204) BD ( 1) C 1- H 33 ( 61.81%) 0.7862* C 1 s( 23.20%)p 3.31( 76.72%)d 0.00( 0.08%) 0.0000 0.4816 0.0028 0.0010 -0.4550 -0.0030 0.2365 -0.0146 0.7099 0.0033 -0.0074 -0.0210 0.0127 0.0044 0.0130 ( 38.19%) 0.6180* H 33 s(100.00%) 1.0000 0.0021 20. (1.98207) BD ( 1) C 1- H 34 ( 61.83%) 0.7863* C 1 s( 23.21%)p 3.30( 76.70%)d 0.00( 0.08%) 0.0000 0.4818 0.0029 0.0010 -0.5723 -0.0028 -0.1322 -0.0142 -0.6495 0.0051 0.0042 0.0245 0.0038 0.0106 0.0101 ( 38.17%) 0.6178* H 34 s(100.00%) 1.0000 0.0021 21. (1.98259) BD ( 1) C 2- C 3 ( 50.59%) 0.7112* C 2 s( 38.77%)p 1.58( 61.18%)d 0.00( 0.05%) 0.0000 0.6226 -0.0085 -0.0021 0.7706 0.0155 -0.1319 -0.0076 -0.0138 -0.0008 -0.0069 -0.0013 -0.0007 0.0182 -0.0129 ( 49.41%) 0.7029* C 3 s( 39.80%)p 1.51( 60.13%)d 0.00( 0.07%) 0.0000 0.6307 -0.0162 -0.0024 -0.7520 -0.0222 0.1844 -0.0038 0.0352 0.0039 -0.0102 -0.0019 -0.0007 0.0188 -0.0146 22. (1.94167) BD ( 2) C 2- C 3 ( 48.77%) 0.6984* C 2 s( 0.01%)p 1.00( 99.92%)d 0.00( 0.07%) 0.0000 0.0098 -0.0011 -0.0001 -0.0703 0.0025 -0.2640 0.0051 -0.9613 0.0191 -0.0065 -0.0255 0.0056 -0.0033 0.0010 ( 51.23%) 0.7157* C 3 s( 0.02%)p99.99( 99.91%)d 3.10( 0.07%) 0.0000 0.0139 -0.0052 0.0006 -0.0973 0.0051 -0.2609 0.0068 -0.9598 0.0194 0.0056 0.0243 -0.0063 0.0039 -0.0013 23. (1.98271) BD ( 1) C 2- C 28 ( 49.94%) 0.7067* C 2 s( 30.75%)p 2.25( 69.20%)d 0.00( 0.05%) 0.0000 0.5545 0.0048 0.0009 -0.3234 0.0003 0.7460 -0.0003 -0.1756 0.0000 -0.0131 0.0024 -0.0081 -0.0104 -0.0122 ( 50.06%) 0.7075* C 28 s( 29.20%)p 2.42( 70.74%)d 0.00( 0.06%) 0.0000 0.5403 -0.0075 -0.0031 0.3604 0.0026 -0.7407 -0.0021 0.1703 0.0006 -0.0154 0.0037 -0.0073 -0.0128 -0.0099 24. (1.97986) BD ( 1) C 3- C 4 ( 49.23%) 0.7017* C 3 s( 33.18%)p 2.01( 66.76%)d 0.00( 0.05%) 0.0000 0.5760 -0.0024 -0.0002 0.6009 0.0114 0.5184 -0.0091 -0.1937 -0.0083 0.0171 -0.0061 -0.0070 0.0023 -0.0125 ( 50.77%) 0.7125* C 4 s( 28.06%)p 2.56( 71.88%)d 0.00( 0.05%) 0.0000 0.5296 -0.0127 -0.0010 -0.6487 -0.0018 -0.5100 -0.0099 0.1942 -0.0097 0.0186 -0.0077 -0.0063 0.0042 -0.0093 25. (1.97664) BD ( 1) C 3- H 27 ( 61.13%) 0.7818* C 3 s( 26.97%)p 2.70( 72.94%)d 0.00( 0.09%) 0.0000 0.5191 0.0164 0.0025 0.2498 -0.0001 -0.7924 0.0060 0.1975 -0.0045 -0.0125 0.0029 -0.0123 -0.0187 -0.0144 ( 38.87%) 0.6235* H 27 s(100.00%) 1.0000 0.0028 26. (1.96377) BD ( 1) C 4- C 5 ( 49.72%) 0.7052* C 4 s( 26.13%)p 2.83( 73.83%)d 0.00( 0.05%) 0.0000 0.5111 -0.0071 -0.0015 0.5221 -0.0004 0.1219 0.0032 0.6714 0.0054 0.0029 0.0175 0.0031 0.0063 0.0099 ( 50.28%) 0.7090* C 5 s( 26.33%)p 2.80( 73.62%)d 0.00( 0.04%) 0.0000 0.5131 -0.0078 -0.0018 -0.5194 -0.0042 -0.1056 -0.0064 -0.6747 -0.0050 0.0021 0.0169 0.0023 0.0062 0.0103 27. (1.97379) BD ( 1) C 4- H 25 ( 62.43%) 0.7901* C 4 s( 22.47%)p 3.45( 77.44%)d 0.00( 0.09%) 0.0000 0.4740 0.0097 0.0010 0.4656 -0.0129 -0.3515 0.0119 -0.6586 -0.0074 -0.0109 -0.0198 0.0159 0.0025 0.0090 ( 37.57%) 0.6130* H 25 s(100.00%) 1.0000 0.0031 28. (1.98135) BD ( 1) C 4- H 26 ( 61.51%) 0.7843* C 4 s( 23.35%)p 3.28( 76.56%)d 0.00( 0.08%) 0.0000 0.4832 0.0064 0.0011 -0.2975 0.0072 0.7748 -0.0084 -0.2766 -0.0136 -0.0149 0.0054 -0.0140 -0.0166 -0.0109 ( 38.49%) 0.6204* H 26 s(100.00%) 1.0000 0.0019 29. (1.97629) BD ( 1) C 5- C 6 ( 49.74%) 0.7053* C 5 s( 28.07%)p 2.56( 71.87%)d 0.00( 0.06%) 0.0000 0.5298 -0.0095 -0.0019 0.6736 0.0057 0.4778 0.0018 -0.1908 0.0129 0.0192 -0.0079 -0.0058 0.0064 -0.0100 ( 50.26%) 0.7089* C 6 s( 31.03%)p 2.22( 68.92%)d 0.00( 0.05%) 0.0000 0.5570 0.0079 0.0014 -0.6663 0.0118 -0.4602 0.0033 0.1824 0.0072 0.0153 -0.0065 -0.0049 0.0056 -0.0124 30. (1.97450) BD ( 1) C 5- H 23 ( 62.18%) 0.7885* C 5 s( 22.44%)p 3.45( 77.47%)d 0.00( 0.09%) 0.0000 0.4737 0.0073 0.0017 -0.4555 0.0071 0.3774 -0.0176 0.6514 0.0097 -0.0114 -0.0187 0.0178 0.0015 0.0082 ( 37.82%) 0.6150* H 23 s(100.00%) 1.0000 0.0034 31. (1.98130) BD ( 1) C 5- H 24 ( 62.38%) 0.7898* C 5 s( 23.15%)p 3.32( 76.77%)d 0.00( 0.08%) 0.0000 0.4811 0.0061 0.0016 0.2604 -0.0095 -0.7853 0.0115 0.2878 0.0137 -0.0138 0.0053 -0.0142 -0.0173 -0.0107 ( 37.62%) 0.6134* H 24 s(100.00%) 1.0000 0.0023 32. (1.98146) BD ( 1) C 6- C 7 ( 50.33%) 0.7094* C 6 s( 37.97%)p 1.63( 61.97%)d 0.00( 0.05%) 0.0000 0.6161 -0.0102 -0.0024 0.7152 0.0134 -0.3196 -0.0104 -0.0760 -0.0013 -0.0149 -0.0040 0.0014 0.0124 -0.0124 ( 49.67%) 0.7048* C 7 s( 38.31%)p 1.61( 61.63%)d 0.00( 0.07%) 0.0000 0.6188 -0.0131 -0.0010 -0.6920 -0.0163 0.3643 -0.0031 0.0658 0.0047 -0.0185 -0.0033 0.0008 0.0102 -0.0148 33. (1.82967) BD ( 2) C 6- C 7 ( 46.96%) 0.6852* C 6 s( 0.00%)p 1.00( 99.92%)d 0.00( 0.07%) 0.0000 -0.0031 0.0040 0.0003 -0.1669 0.0072 -0.1476 0.0044 -0.9743 0.0179 -0.0015 -0.0234 0.0114 -0.0059 0.0042 ( 53.04%) 0.7283* C 7 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 -0.0007 0.0011 -0.0002 -0.1731 0.0033 -0.1519 0.0014 -0.9728 0.0105 -0.0006 0.0162 -0.0170 0.0054 -0.0003 34. (1.98423) BD ( 1) C 6- C 19 ( 49.97%) 0.7069* C 6 s( 30.93%)p 2.23( 69.02%)d 0.00( 0.05%) 0.0000 0.5561 0.0016 0.0011 -0.1260 0.0020 0.8146 0.0046 -0.1035 0.0013 -0.0061 0.0001 -0.0051 -0.0166 -0.0125 ( 50.03%) 0.7073* C 19 s( 29.00%)p 2.45( 70.94%)d 0.00( 0.06%) 0.0000 0.5384 -0.0079 -0.0027 0.1654 0.0037 -0.8210 -0.0027 0.0897 0.0007 -0.0078 0.0010 -0.0043 -0.0199 -0.0113 35. (1.97987) BD ( 1) C 7- C 8 ( 49.64%) 0.7046* C 7 s( 32.89%)p 2.04( 67.04%)d 0.00( 0.06%) 0.0000 0.5734 -0.0108 0.0008 0.6981 0.0132 0.3857 -0.0032 -0.1848 -0.0024 0.0172 -0.0088 -0.0057 0.0084 -0.0129 ( 50.36%) 0.7096* C 8 s( 34.52%)p 1.90( 65.43%)d 0.00( 0.06%) 0.0000 0.5875 -0.0041 -0.0014 -0.6922 -0.0062 -0.3762 0.0006 0.1832 0.0012 0.0153 -0.0082 -0.0048 0.0094 -0.0120 36. (1.97461) BD ( 1) C 7- H 18 ( 63.54%) 0.7971* C 7 s( 28.79%)p 2.47( 71.13%)d 0.00( 0.08%) 0.0000 0.5362 0.0195 0.0003 0.0519 0.0056 -0.8330 0.0126 0.1205 -0.0027 -0.0028 -0.0007 -0.0073 -0.0212 -0.0156 ( 36.46%) 0.6038* H 18 s(100.00%) 1.0000 0.0052 37. (1.98484) BD ( 1) C 8- C 9 ( 50.30%) 0.7092* C 8 s( 38.34%)p 1.61( 61.60%)d 0.00( 0.06%) 0.0000 0.6190 -0.0157 0.0001 0.6975 0.0245 -0.3516 0.0095 -0.0713 -0.0059 -0.0166 -0.0041 0.0008 0.0112 -0.0143 ( 49.70%) 0.7050* C 9 s( 38.82%)p 1.57( 61.12%)d 0.00( 0.06%) 0.0000 0.6227 -0.0191 -0.0016 -0.7150 -0.0151 0.3027 0.0303 0.0849 -0.0019 -0.0139 -0.0050 0.0009 0.0145 -0.0140 38. (1.83648) BD ( 2) C 8- C 9 ( 45.18%) 0.6722* C 8 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0012 0.0000 0.0000 -0.1755 0.0015 -0.1489 0.0014 -0.9728 0.0092 -0.0007 -0.0202 0.0134 -0.0058 0.0029 ( 54.82%) 0.7404* C 9 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0007 -0.0001 0.0000 -0.1773 0.0026 -0.1474 0.0023 -0.9728 0.0146 0.0023 0.0172 -0.0026 0.0036 -0.0050 39. (1.97873) BD ( 1) C 8- H 17 ( 61.35%) 0.7832* C 8 s( 27.11%)p 2.69( 72.80%)d 0.00( 0.09%) 0.0000 0.5204 0.0175 0.0012 -0.0485 0.0063 0.8433 -0.0141 -0.1197 0.0010 -0.0011 -0.0008 -0.0077 -0.0233 -0.0157 ( 38.65%) 0.6217* H 17 s(100.00%) 1.0000 0.0019 40. (1.98538) BD ( 1) C 9- C 10 ( 51.37%) 0.7168* C 9 s( 32.76%)p 2.05( 67.18%)d 0.00( 0.06%) 0.0000 0.5723 0.0016 -0.0019 0.1717 0.0094 -0.7964 -0.0028 0.0898 -0.0013 -0.0080 0.0003 -0.0050 -0.0187 -0.0133 ( 48.63%) 0.6973* C 10 s( 35.47%)p 1.82( 64.47%)d 0.00( 0.06%) 0.0000 0.5954 0.0128 -0.0016 -0.2368 0.0002 0.7637 -0.0041 -0.0734 0.0006 -0.0093 0.0020 -0.0040 -0.0203 -0.0097 41. (1.97994) BD ( 1) C 9- H 16 ( 61.47%) 0.7840* C 9 s( 28.37%)p 2.52( 71.55%)d 0.00( 0.08%) 0.0000 0.5325 0.0118 0.0040 0.6528 -0.0077 0.5014 -0.0007 -0.1945 0.0015 0.0208 -0.0091 -0.0072 0.0052 -0.0144 ( 38.53%) 0.6207* H 16 s(100.00%) 1.0000 0.0016 42. (1.99115) BD ( 1) C 10- C 11 ( 48.46%) 0.6961* C 10 s( 33.53%)p 1.98( 66.42%)d 0.00( 0.06%) 0.0000 0.5788 0.0158 -0.0005 0.7771 -0.0152 -0.2205 -0.0170 -0.1056 0.0053 -0.0075 -0.0054 0.0018 0.0198 -0.0093 ( 51.54%) 0.7179* C 11 s( 27.43%)p 2.64( 72.51%)d 0.00( 0.06%) 0.0000 0.5237 -0.0037 -0.0028 -0.8195 -0.0048 0.1997 -0.0073 0.1163 0.0020 -0.0117 -0.0050 0.0021 0.0189 -0.0106 43. (1.99633) BD ( 1) C 10- O 15 ( 34.10%) 0.5840* C 10 s( 30.87%)p 2.23( 68.96%)d 0.01( 0.17%) 0.0000 0.5539 -0.0430 0.0051 -0.5541 -0.0438 -0.5850 -0.0528 0.1884 0.0158 0.0356 -0.0100 -0.0108 -0.0017 -0.0137 ( 65.90%) 0.8118* O 15 s( 41.88%)p 1.38( 57.82%)d 0.01( 0.30%) 0.0000 0.6470 -0.0136 -0.0013 0.4969 -0.0078 0.5493 -0.0071 -0.1715 0.0025 0.0462 -0.0133 -0.0151 -0.0049 -0.0207 44. (1.97278) BD ( 2) C 10- O 15 ( 32.95%) 0.5740* C 10 s( 0.00%)p 1.00( 99.78%)d 0.00( 0.22%) 0.0000 0.0003 0.0000 0.0000 -0.1742 0.0056 -0.1476 0.0048 -0.9719 0.0320 0.0104 0.0294 0.0298 0.0008 -0.0179 ( 67.05%) 0.8188* O 15 s( 0.00%)p 1.00( 99.74%)d 0.00( 0.26%) 0.0000 0.0003 0.0000 0.0000 -0.1734 0.0023 -0.1471 0.0019 -0.9724 0.0126 -0.0114 -0.0306 -0.0344 -0.0004 0.0196 45. (1.99071) BD ( 1) C 11- H 12 ( 62.76%) 0.7922* C 11 s( 24.99%)p 3.00( 74.93%)d 0.00( 0.08%) 0.0000 0.4999 -0.0009 0.0006 0.1270 0.0095 -0.8497 0.0068 0.1055 -0.0027 -0.0046 0.0003 -0.0063 -0.0226 -0.0137 ( 37.24%) 0.6103* H 12 s(100.00%) 1.0000 0.0012 46. (1.97578) BD ( 1) C 11- H 13 ( 62.07%) 0.7879* C 11 s( 23.78%)p 3.20( 76.14%)d 0.00( 0.08%) 0.0000 0.4876 0.0007 0.0010 0.2518 0.0118 0.2244 -0.0096 -0.8046 -0.0009 0.0042 -0.0105 -0.0148 0.0004 0.0221 ( 37.93%) 0.6159* H 13 s(100.00%) 1.0000 0.0007 47. (1.97575) BD ( 1) C 11- H 14 ( 62.08%) 0.7879* C 11 s( 23.78%)p 3.20( 76.14%)d 0.00( 0.08%) 0.0000 0.4876 0.0007 0.0010 0.4977 0.0118 0.4320 -0.0095 0.5717 -0.0005 0.0147 0.0160 0.0187 0.0002 0.0042 ( 37.92%) 0.6158* H 14 s(100.00%) 1.0000 0.0007 48. (1.98959) BD ( 1) C 19- H 20 ( 61.89%) 0.7867* C 19 s( 24.64%)p 3.06( 75.28%)d 0.00( 0.08%) 0.0000 0.4964 -0.0006 0.0008 0.7209 -0.0128 0.4519 0.0106 -0.1692 0.0007 0.0206 -0.0081 -0.0052 0.0105 -0.0132 ( 38.11%) 0.6173* H 20 s(100.00%) 1.0000 0.0005 49. (1.97690) BD ( 1) C 19- H 21 ( 62.16%) 0.7884* C 19 s( 23.24%)p 3.30( 76.68%)d 0.00( 0.08%) 0.0000 0.4820 0.0033 0.0008 -0.5668 0.0054 0.1300 0.0153 -0.6545 -0.0024 -0.0038 0.0249 -0.0036 0.0099 0.0090 ( 37.84%) 0.6151* H 21 s(100.00%) 1.0000 0.0015 50. (1.97753) BD ( 1) C 19- H 22 ( 62.24%) 0.7889* C 19 s( 23.11%)p 3.32( 76.81%)d 0.00( 0.08%) 0.0000 0.4807 0.0036 0.0008 -0.3611 0.0053 0.3220 0.0140 0.7306 -0.0035 -0.0076 -0.0182 0.0130 0.0014 0.0165 ( 37.76%) 0.6145* H 22 s(100.00%) 1.0000 0.0019 51. (1.98970) BD ( 1) C 28- H 29 ( 61.71%) 0.7855* C 28 s( 24.51%)p 3.08( 75.41%)d 0.00( 0.08%) 0.0000 0.4951 -0.0008 0.0009 0.5916 -0.0141 0.6017 0.0068 -0.2044 -0.0007 0.0230 -0.0079 -0.0082 -0.0002 -0.0124 ( 38.29%) 0.6188* H 29 s(100.00%) 1.0000 0.0005 52. (1.98100) BD ( 1) C 28- H 30 ( 61.98%) 0.7873* C 28 s( 23.14%)p 3.32( 76.78%)d 0.00( 0.08%) 0.0000 0.4810 0.0033 0.0009 -0.5576 0.0014 -0.0752 0.0143 -0.6715 -0.0030 0.0035 0.0247 0.0048 0.0096 0.0100 ( 38.02%) 0.6166* H 30 s(100.00%) 1.0000 0.0020 53. (1.98112) BD ( 1) C 28- H 31 ( 61.94%) 0.7870* C 28 s( 23.13%)p 3.32( 76.79%)d 0.00( 0.08%) 0.0000 0.4809 0.0034 0.0009 -0.4559 0.0012 0.2875 0.0139 0.6908 -0.0048 -0.0083 -0.0211 0.0112 0.0046 0.0133 ( 38.06%) 0.6169* H 31 s(100.00%) 1.0000 0.0019 ---------------- non-Lewis ---------------------------------------------------- 54. (0.01581) BD*( 1) C 1- C 2 ( 50.15%) 0.7081* C 1 s( 29.33%)p 2.41( 70.62%)d 0.00( 0.06%) 0.0000 -0.5415 0.0073 0.0032 -0.5554 -0.0034 -0.5949 -0.0017 0.2092 0.0008 -0.0195 0.0067 0.0073 0.0019 0.0094 ( 49.85%) -0.7061* C 2 s( 30.41%)p 2.29( 69.54%)d 0.00( 0.05%) 0.0000 -0.5514 -0.0041 -0.0012 0.5439 -0.0040 0.5965 -0.0017 -0.2092 0.0005 -0.0158 0.0062 0.0080 0.0011 0.0119 55. (0.00525) BD*( 1) C 1- H 32 ( 38.11%) 0.6173* C 1 s( 24.24%)p 3.12( 75.67%)d 0.00( 0.08%) 0.0000 -0.4924 -0.0001 -0.0009 -0.3947 0.0155 0.7560 0.0012 -0.1710 -0.0016 0.0198 -0.0043 0.0084 0.0127 0.0132 ( 61.89%) -0.7867* H 32 s(100.00%) -1.0000 -0.0007 56. (0.01062) BD*( 1) C 1- H 33 ( 38.19%) 0.6180* C 1 s( 23.20%)p 3.31( 76.72%)d 0.00( 0.08%) 0.0000 -0.4816 -0.0028 -0.0010 0.4550 0.0030 -0.2365 0.0146 -0.7099 -0.0033 0.0074 0.0210 -0.0127 -0.0044 -0.0130 ( 61.81%) -0.7862* H 33 s(100.00%) -1.0000 -0.0021 57. (0.01064) BD*( 1) C 1- H 34 ( 38.17%) 0.6178* C 1 s( 23.21%)p 3.30( 76.70%)d 0.00( 0.08%) 0.0000 -0.4818 -0.0029 -0.0010 0.5723 0.0028 0.1322 0.0142 0.6495 -0.0051 -0.0042 -0.0245 -0.0038 -0.0106 -0.0101 ( 61.83%) -0.7863* H 34 s(100.00%) -1.0000 -0.0021 58. (0.01834) BD*( 1) C 2- C 3 ( 49.41%) 0.7029* C 2 s( 38.77%)p 1.58( 61.18%)d 0.00( 0.05%) 0.0000 -0.6226 0.0085 0.0021 -0.7706 -0.0155 0.1319 0.0076 0.0138 0.0008 0.0069 0.0013 0.0007 -0.0182 0.0129 ( 50.59%) -0.7112* C 3 s( 39.80%)p 1.51( 60.13%)d 0.00( 0.07%) 0.0000 -0.6307 0.0162 0.0024 0.7520 0.0222 -0.1844 0.0038 -0.0352 -0.0039 0.0102 0.0019 0.0007 -0.0188 0.0146 59. (0.07972) BD*( 2) C 2- C 3 ( 51.23%) 0.7157* C 2 s( 0.01%)p 1.00( 99.92%)d 0.00( 0.07%) 0.0000 -0.0098 0.0011 0.0001 0.0703 -0.0025 0.2640 -0.0051 0.9613 -0.0191 0.0065 0.0255 -0.0056 0.0033 -0.0010 ( 48.77%) -0.6984* C 3 s( 0.02%)p99.99( 99.91%)d 3.10( 0.07%) 0.0000 -0.0139 0.0052 -0.0006 0.0973 -0.0051 0.2609 -0.0068 0.9598 -0.0194 -0.0056 -0.0243 0.0063 -0.0039 0.0013 60. (0.02037) BD*( 1) C 2- C 28 ( 50.06%) 0.7075* C 2 s( 30.75%)p 2.25( 69.20%)d 0.00( 0.05%) 0.0000 0.5545 0.0048 0.0009 -0.3234 0.0003 0.7460 -0.0003 -0.1756 0.0000 -0.0131 0.0024 -0.0081 -0.0104 -0.0122 ( 49.94%) -0.7067* C 28 s( 29.20%)p 2.42( 70.74%)d 0.00( 0.06%) 0.0000 0.5403 -0.0075 -0.0031 0.3604 0.0026 -0.7407 -0.0021 0.1703 0.0006 -0.0154 0.0037 -0.0073 -0.0128 -0.0099 61. (0.01529) BD*( 1) C 3- C 4 ( 50.77%) 0.7125* C 3 s( 33.18%)p 2.01( 66.76%)d 0.00( 0.05%) 0.0000 0.5760 -0.0024 -0.0002 0.6009 0.0114 0.5184 -0.0091 -0.1937 -0.0083 0.0171 -0.0061 -0.0070 0.0023 -0.0125 ( 49.23%) -0.7017* C 4 s( 28.06%)p 2.56( 71.88%)d 0.00( 0.05%) 0.0000 0.5296 -0.0127 -0.0010 -0.6487 -0.0018 -0.5100 -0.0099 0.1942 -0.0097 0.0186 -0.0077 -0.0063 0.0042 -0.0093 62. (0.01592) BD*( 1) C 3- H 27 ( 38.87%) 0.6235* C 3 s( 26.97%)p 2.70( 72.94%)d 0.00( 0.09%) 0.0000 -0.5191 -0.0164 -0.0025 -0.2498 0.0001 0.7924 -0.0060 -0.1975 0.0045 0.0125 -0.0029 0.0123 0.0187 0.0144 ( 61.13%) -0.7818* H 27 s(100.00%) -1.0000 -0.0028 63. (0.02226) BD*( 1) C 4- C 5 ( 50.28%) 0.7090* C 4 s( 26.13%)p 2.83( 73.83%)d 0.00( 0.05%) 0.0000 0.5111 -0.0071 -0.0015 0.5221 -0.0004 0.1219 0.0032 0.6714 0.0054 0.0029 0.0175 0.0031 0.0063 0.0099 ( 49.72%) -0.7052* C 5 s( 26.33%)p 2.80( 73.62%)d 0.00( 0.04%) 0.0000 0.5131 -0.0078 -0.0018 -0.5194 -0.0042 -0.1056 -0.0064 -0.6747 -0.0050 0.0021 0.0169 0.0023 0.0062 0.0103 64. (0.01565) BD*( 1) C 4- H 25 ( 37.57%) 0.6130* C 4 s( 22.47%)p 3.45( 77.44%)d 0.00( 0.09%) 0.0000 -0.4740 -0.0097 -0.0010 -0.4656 0.0129 0.3515 -0.0119 0.6586 0.0074 0.0109 0.0198 -0.0159 -0.0025 -0.0090 ( 62.43%) -0.7901* H 25 s(100.00%) -1.0000 -0.0031 65. (0.01486) BD*( 1) C 4- H 26 ( 38.49%) 0.6204* C 4 s( 23.35%)p 3.28( 76.56%)d 0.00( 0.08%) 0.0000 -0.4832 -0.0064 -0.0011 0.2975 -0.0072 -0.7748 0.0084 0.2766 0.0136 0.0149 -0.0054 0.0140 0.0166 0.0109 ( 61.51%) -0.7843* H 26 s(100.00%) -1.0000 -0.0019 66. (0.02000) BD*( 1) C 5- C 6 ( 50.26%) 0.7089* C 5 s( 28.07%)p 2.56( 71.87%)d 0.00( 0.06%) 0.0000 -0.5298 0.0095 0.0019 -0.6736 -0.0057 -0.4778 -0.0018 0.1908 -0.0129 -0.0192 0.0079 0.0058 -0.0064 0.0100 ( 49.74%) -0.7053* C 6 s( 31.03%)p 2.22( 68.92%)d 0.00( 0.05%) 0.0000 -0.5570 -0.0079 -0.0014 0.6663 -0.0118 0.4602 -0.0033 -0.1824 -0.0072 -0.0153 0.0065 0.0049 -0.0056 0.0124 67. (0.01544) BD*( 1) C 5- H 23 ( 37.82%) 0.6150* C 5 s( 22.44%)p 3.45( 77.47%)d 0.00( 0.09%) 0.0000 -0.4737 -0.0073 -0.0017 0.4555 -0.0071 -0.3774 0.0176 -0.6514 -0.0097 0.0114 0.0187 -0.0178 -0.0015 -0.0082 ( 62.18%) -0.7885* H 23 s(100.00%) -1.0000 -0.0034 68. (0.01184) BD*( 1) C 5- H 24 ( 37.62%) 0.6134* C 5 s( 23.15%)p 3.32( 76.77%)d 0.00( 0.08%) 0.0000 -0.4811 -0.0061 -0.0016 -0.2604 0.0095 0.7853 -0.0115 -0.2878 -0.0137 0.0138 -0.0053 0.0142 0.0173 0.0107 ( 62.38%) -0.7898* H 24 s(100.00%) -1.0000 -0.0023 69. (0.01813) BD*( 1) C 6- C 7 ( 49.67%) 0.7048* C 6 s( 37.97%)p 1.63( 61.97%)d 0.00( 0.05%) 0.0000 -0.6161 0.0102 0.0024 -0.7152 -0.0134 0.3196 0.0104 0.0760 0.0013 0.0149 0.0040 -0.0014 -0.0124 0.0124 ( 50.33%) -0.7094* C 7 s( 38.31%)p 1.61( 61.63%)d 0.00( 0.07%) 0.0000 -0.6188 0.0131 0.0010 0.6920 0.0163 -0.3643 0.0031 -0.0658 -0.0047 0.0185 0.0033 -0.0008 -0.0102 0.0148 70. (0.11074) BD*( 2) C 6- C 7 ( 53.04%) 0.7283* C 6 s( 0.00%)p 1.00( 99.92%)d 0.00( 0.07%) 0.0000 -0.0031 0.0040 0.0003 -0.1669 0.0072 -0.1476 0.0044 -0.9743 0.0179 -0.0015 -0.0234 0.0114 -0.0059 0.0042 ( 46.96%) -0.6852* C 7 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 -0.0007 0.0011 -0.0002 -0.1731 0.0033 -0.1519 0.0014 -0.9728 0.0105 -0.0006 0.0162 -0.0170 0.0054 -0.0003 71. (0.02051) BD*( 1) C 6- C 19 ( 50.03%) 0.7073* C 6 s( 30.93%)p 2.23( 69.02%)d 0.00( 0.05%) 0.0000 0.5561 0.0016 0.0011 -0.1260 0.0020 0.8146 0.0046 -0.1035 0.0013 -0.0061 0.0001 -0.0051 -0.0166 -0.0125 ( 49.97%) -0.7069* C 19 s( 29.00%)p 2.45( 70.94%)d 0.00( 0.06%) 0.0000 0.5384 -0.0079 -0.0027 0.1654 0.0037 -0.8210 -0.0027 0.0897 0.0007 -0.0078 0.0010 -0.0043 -0.0199 -0.0113 72. (0.01984) BD*( 1) C 7- C 8 ( 50.36%) 0.7096* C 7 s( 32.89%)p 2.04( 67.04%)d 0.00( 0.06%) 0.0000 -0.5734 0.0108 -0.0008 -0.6981 -0.0132 -0.3857 0.0032 0.1848 0.0024 -0.0172 0.0088 0.0057 -0.0084 0.0129 ( 49.64%) -0.7046* C 8 s( 34.52%)p 1.90( 65.43%)d 0.00( 0.06%) 0.0000 -0.5875 0.0041 0.0014 0.6922 0.0062 0.3762 -0.0006 -0.1832 -0.0012 -0.0153 0.0082 0.0048 -0.0094 0.0120 73. (0.02152) BD*( 1) C 7- H 18 ( 36.46%) 0.6038* C 7 s( 28.79%)p 2.47( 71.13%)d 0.00( 0.08%) 0.0000 -0.5362 -0.0195 -0.0003 -0.0519 -0.0056 0.8330 -0.0126 -0.1205 0.0027 0.0028 0.0007 0.0073 0.0212 0.0156 ( 63.54%) -0.7971* H 18 s(100.00%) -1.0000 -0.0052 74. (0.01035) BD*( 1) C 8- C 9 ( 49.70%) 0.7050* C 8 s( 38.34%)p 1.61( 61.60%)d 0.00( 0.06%) 0.0000 -0.6190 0.0157 -0.0001 -0.6975 -0.0245 0.3516 -0.0095 0.0713 0.0059 0.0166 0.0041 -0.0008 -0.0112 0.0143 ( 50.30%) -0.7092* C 9 s( 38.82%)p 1.57( 61.12%)d 0.00( 0.06%) 0.0000 -0.6227 0.0191 0.0016 0.7150 0.0151 -0.3027 -0.0303 -0.0849 0.0019 0.0139 0.0050 -0.0009 -0.0145 0.0140 75. (0.14305) BD*( 2) C 8- C 9 ( 54.82%) 0.7404* C 8 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0012 0.0000 0.0000 -0.1755 0.0015 -0.1489 0.0014 -0.9728 0.0092 -0.0007 -0.0202 0.0134 -0.0058 0.0029 ( 45.18%) -0.6722* C 9 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0007 -0.0001 0.0000 -0.1773 0.0026 -0.1474 0.0023 -0.9728 0.0146 0.0023 0.0172 -0.0026 0.0036 -0.0050 76. (0.01534) BD*( 1) C 8- H 17 ( 38.65%) 0.6217* C 8 s( 27.11%)p 2.69( 72.80%)d 0.00( 0.09%) 0.0000 -0.5204 -0.0175 -0.0012 0.0485 -0.0063 -0.8433 0.0141 0.1197 -0.0010 0.0011 0.0008 0.0077 0.0233 0.0157 ( 61.35%) -0.7832* H 17 s(100.00%) -1.0000 -0.0019 77. (0.05926) BD*( 1) C 9- C 10 ( 48.63%) 0.6973* C 9 s( 32.76%)p 2.05( 67.18%)d 0.00( 0.06%) 0.0000 -0.5723 -0.0016 0.0019 -0.1717 -0.0094 0.7964 0.0028 -0.0898 0.0013 0.0080 -0.0003 0.0050 0.0187 0.0133 ( 51.37%) -0.7168* C 10 s( 35.47%)p 1.82( 64.47%)d 0.00( 0.06%) 0.0000 -0.5954 -0.0128 0.0016 0.2368 -0.0002 -0.7637 0.0041 0.0734 -0.0006 0.0093 -0.0020 0.0040 0.0203 0.0097 78. (0.01183) BD*( 1) C 9- H 16 ( 38.53%) 0.6207* C 9 s( 28.37%)p 2.52( 71.55%)d 0.00( 0.08%) 0.0000 -0.5325 -0.0118 -0.0040 -0.6528 0.0077 -0.5014 0.0007 0.1945 -0.0015 -0.0208 0.0091 0.0072 -0.0052 0.0144 ( 61.47%) -0.7840* H 16 s(100.00%) -1.0000 -0.0016 79. (0.05379) BD*( 1) C 10- C 11 ( 51.54%) 0.7179* C 10 s( 33.53%)p 1.98( 66.42%)d 0.00( 0.06%) 0.0000 0.5788 0.0158 -0.0005 0.7771 -0.0152 -0.2205 -0.0170 -0.1056 0.0053 -0.0075 -0.0054 0.0018 0.0198 -0.0093 ( 48.46%) -0.6961* C 11 s( 27.43%)p 2.64( 72.51%)d 0.00( 0.06%) 0.0000 0.5237 -0.0037 -0.0028 -0.8195 -0.0048 0.1997 -0.0073 0.1163 0.0020 -0.0117 -0.0050 0.0021 0.0189 -0.0106 80. (0.01302) BD*( 1) C 10- O 15 ( 65.90%) 0.8118* C 10 s( 30.87%)p 2.23( 68.96%)d 0.01( 0.17%) 0.0000 0.5539 -0.0430 0.0051 -0.5541 -0.0438 -0.5850 -0.0528 0.1884 0.0158 0.0356 -0.0100 -0.0108 -0.0017 -0.0137 ( 34.10%) -0.5840* O 15 s( 41.88%)p 1.38( 57.82%)d 0.01( 0.30%) 0.0000 0.6470 -0.0136 -0.0013 0.4969 -0.0078 0.5493 -0.0071 -0.1715 0.0025 0.0462 -0.0133 -0.0151 -0.0049 -0.0207 81. (0.16722) BD*( 2) C 10- O 15 ( 67.05%) 0.8188* C 10 s( 0.00%)p 1.00( 99.78%)d 0.00( 0.22%) 0.0000 0.0003 0.0000 0.0000 -0.1742 0.0056 -0.1476 0.0048 -0.9719 0.0320 0.0104 0.0294 0.0298 0.0008 -0.0179 ( 32.95%) -0.5740* O 15 s( 0.00%)p 1.00( 99.74%)d 0.00( 0.26%) 0.0000 0.0003 0.0000 0.0000 -0.1734 0.0023 -0.1471 0.0019 -0.9724 0.0126 -0.0114 -0.0306 -0.0344 -0.0004 0.0196 82. (0.00430) BD*( 1) C 11- H 12 ( 37.24%) 0.6103* C 11 s( 24.99%)p 3.00( 74.93%)d 0.00( 0.08%) 0.0000 -0.4999 0.0009 -0.0006 -0.1270 -0.0095 0.8497 -0.0068 -0.1055 0.0027 0.0046 -0.0003 0.0063 0.0226 0.0137 ( 62.76%) -0.7922* H 12 s(100.00%) -1.0000 -0.0012 83. (0.00584) BD*( 1) C 11- H 13 ( 37.93%) 0.6159* C 11 s( 23.78%)p 3.20( 76.14%)d 0.00( 0.08%) 0.0000 -0.4876 -0.0007 -0.0010 -0.2518 -0.0118 -0.2244 0.0096 0.8046 0.0009 -0.0042 0.0105 0.0148 -0.0004 -0.0221 ( 62.07%) -0.7879* H 13 s(100.00%) -1.0000 -0.0007 84. (0.00584) BD*( 1) C 11- H 14 ( 37.92%) 0.6158* C 11 s( 23.78%)p 3.20( 76.14%)d 0.00( 0.08%) 0.0000 -0.4876 -0.0007 -0.0010 -0.4977 -0.0118 -0.4320 0.0095 -0.5717 0.0005 -0.0147 -0.0160 -0.0187 -0.0002 -0.0042 ( 62.08%) -0.7879* H 14 s(100.00%) -1.0000 -0.0007 85. (0.00669) BD*( 1) C 19- H 20 ( 38.11%) 0.6173* C 19 s( 24.64%)p 3.06( 75.28%)d 0.00( 0.08%) 0.0000 -0.4964 0.0006 -0.0008 -0.7209 0.0128 -0.4519 -0.0106 0.1692 -0.0007 -0.0206 0.0081 0.0052 -0.0105 0.0132 ( 61.89%) -0.7867* H 20 s(100.00%) -1.0000 -0.0005 86. (0.00975) BD*( 1) C 19- H 21 ( 37.84%) 0.6151* C 19 s( 23.24%)p 3.30( 76.68%)d 0.00( 0.08%) 0.0000 -0.4820 -0.0033 -0.0008 0.5668 -0.0054 -0.1300 -0.0153 0.6545 0.0024 0.0038 -0.0249 0.0036 -0.0099 -0.0090 ( 62.16%) -0.7884* H 21 s(100.00%) -1.0000 -0.0015 87. (0.00961) BD*( 1) C 19- H 22 ( 37.76%) 0.6145* C 19 s( 23.11%)p 3.32( 76.81%)d 0.00( 0.08%) 0.0000 -0.4807 -0.0036 -0.0008 0.3611 -0.0053 -0.3220 -0.0140 -0.7306 0.0035 0.0076 0.0182 -0.0130 -0.0014 -0.0165 ( 62.24%) -0.7889* H 22 s(100.00%) -1.0000 -0.0019 88. (0.00669) BD*( 1) C 28- H 29 ( 38.29%) 0.6188* C 28 s( 24.51%)p 3.08( 75.41%)d 0.00( 0.08%) 0.0000 -0.4951 0.0008 -0.0009 -0.5916 0.0141 -0.6017 -0.0068 0.2044 0.0007 -0.0230 0.0079 0.0082 0.0002 0.0124 ( 61.71%) -0.7855* H 29 s(100.00%) -1.0000 -0.0005 89. (0.01035) BD*( 1) C 28- H 30 ( 38.02%) 0.6166* C 28 s( 23.14%)p 3.32( 76.78%)d 0.00( 0.08%) 0.0000 -0.4810 -0.0033 -0.0009 0.5576 -0.0014 0.0752 -0.0143 0.6715 0.0030 -0.0035 -0.0247 -0.0048 -0.0096 -0.0100 ( 61.98%) -0.7873* H 30 s(100.00%) -1.0000 -0.0020 90. (0.01008) BD*( 1) C 28- H 31 ( 38.06%) 0.6169* C 28 s( 23.13%)p 3.32( 76.79%)d 0.00( 0.08%) 0.0000 -0.4809 -0.0034 -0.0009 0.4559 -0.0012 -0.2875 -0.0139 -0.6908 0.0048 0.0083 0.0211 -0.0112 -0.0046 -0.0133 ( 61.94%) -0.7870* H 31 s(100.00%) -1.0000 -0.0019 91. (0.00261) RY ( 1) C 1 s( 0.35%)p99.99( 92.17%)d21.09( 7.48%) 0.0000 -0.0034 0.0594 -0.0031 0.0164 0.6882 -0.0134 -0.6576 0.0023 0.1231 0.0734 -0.0368 0.0748 0.2491 0.0202 92. (0.00054) RY ( 2) C 1 s( 0.02%)p99.99( 25.76%)d99.99( 74.22%) 0.0000 -0.0003 0.0144 -0.0017 0.0022 0.0274 0.0063 0.1213 0.0226 0.4915 0.2312 0.7053 0.3313 -0.0424 -0.2824 93. (0.00026) RY ( 3) C 1 s( 40.56%)p 1.36( 55.34%)d 0.10( 4.10%) 0.0000 -0.0112 0.6246 -0.1238 0.0108 -0.5311 0.0064 -0.4939 -0.0033 0.1651 0.1371 -0.0355 -0.0122 -0.1179 0.0832 94. (0.00004) RY ( 4) C 1 s( 54.14%)p 0.70( 38.08%)d 0.14( 7.78%) 95. (0.00002) RY ( 5) C 1 s( 0.42%)p99.99( 46.20%)d99.99( 53.37%) 96. (0.00001) RY ( 6) C 1 s( 4.61%)p 0.68( 3.12%)d20.01( 92.27%) 97. (0.00000) RY ( 7) C 1 s( 85.12%)p 0.04( 3.42%)d 0.13( 11.46%) 98. (0.00000) RY ( 8) C 1 s( 9.76%)p 0.35( 3.39%)d 8.90( 86.85%) 99. (0.00000) RY ( 9) C 1 s( 0.63%)p31.03( 19.67%)d99.99( 79.69%) 100. (0.00000) RY (10) C 1 s( 4.39%)p 2.99( 13.14%)d18.78( 82.47%) 101. (0.00406) RY ( 1) C 2 s( 0.02%)p99.99( 92.62%)d99.99( 7.37%) 0.0000 0.0014 0.0047 0.0117 0.0056 0.1936 0.0075 0.9284 0.0005 -0.1631 0.2389 -0.1006 0.0086 0.0797 0.0059 102. (0.00273) RY ( 2) C 2 s( 1.19%)p71.61( 84.89%)d11.75( 13.93%) 0.0000 0.0052 0.1073 0.0174 0.0063 -0.3403 0.0040 0.2190 0.0253 0.8273 -0.1571 -0.3252 0.0920 0.0078 0.0178 103. (0.00253) RY ( 3) C 2 s( 6.37%)p13.60( 86.64%)d 1.10( 6.99%) 0.0000 0.0103 0.2508 0.0261 0.0065 -0.8498 -0.0076 0.1278 -0.0123 -0.3572 -0.0441 0.1818 0.0220 0.1855 -0.0059 104. (0.00036) RY ( 4) C 2 s( 9.52%)p 0.14( 1.35%)d 9.36( 89.13%) 0.0000 0.0013 0.3033 0.0564 0.0231 -0.0841 -0.0088 0.0760 -0.0008 -0.0070 0.0921 0.0635 -0.3212 -0.8759 -0.0918 105. (0.00020) RY ( 5) C 2 s( 0.01%)p 0.00( 0.00%)d 1.00( 99.99%) 0.0000 0.0001 0.0094 -0.0033 0.0000 0.0026 0.0001 -0.0033 -0.0003 -0.0036 -0.1187 -0.1590 -0.8336 0.2363 0.4579 106. (0.00014) RY ( 6) C 2 s( 58.71%)p 0.06( 3.80%)d 0.64( 37.49%) 0.0000 0.0037 -0.5374 0.5462 -0.0047 -0.0649 -0.0121 0.1832 0.0019 -0.0090 -0.5105 0.2714 0.0133 -0.1775 0.0943 107. (0.00007) RY ( 7) C 2 s( 35.35%)p 0.19( 6.82%)d 1.64( 57.83%) 108. (0.00004) RY ( 8) C 2 s( 2.02%)p 7.95( 16.08%)d40.47( 81.89%) 109. (0.00000) RY ( 9) C 2 s( 51.01%)p 0.10( 5.10%)d 0.86( 43.89%) 110. (0.00000) RY (10) C 2 s( 35.87%)p 0.08( 2.86%)d 1.71( 61.27%) 111. (0.00452) RY ( 1) C 3 s( 2.23%)p40.53( 90.21%)d 3.40( 7.56%) 0.0000 0.0019 0.1488 -0.0111 -0.0021 -0.1177 0.0191 0.8964 -0.0059 -0.2905 -0.1787 0.0600 -0.0555 -0.1923 -0.0055 112. (0.00277) RY ( 2) C 3 s( 2.89%)p30.68( 88.56%)d 2.96( 8.55%) 0.0000 -0.0074 0.1670 -0.0305 -0.0047 -0.3781 -0.0071 -0.3333 -0.0256 -0.7942 -0.0257 -0.2687 -0.0864 -0.0287 0.0661 113. (0.00145) RY ( 3) C 3 s( 0.90%)p99.99( 91.49%)d 8.44( 7.61%) 0.0000 0.0059 0.0947 0.0023 -0.0202 0.8809 -0.0032 -0.0076 -0.0034 -0.3720 -0.1745 -0.0841 0.0746 0.1735 0.0538 114. (0.00033) RY ( 4) C 3 s( 82.34%)p 0.04( 2.96%)d 0.18( 14.70%) 0.0000 0.0014 0.8849 -0.2009 -0.0198 0.0707 0.0130 -0.0739 0.0009 0.1364 0.3050 0.1185 -0.0274 -0.1301 -0.1493 115. (0.00010) RY ( 5) C 3 s( 22.56%)p 0.25( 5.74%)d 3.18( 71.70%) 0.0000 0.0019 -0.1648 0.4454 -0.0246 0.2160 0.0038 -0.0265 0.0034 -0.0971 0.4822 -0.0148 -0.2901 -0.6318 0.0314 116. (0.00007) RY ( 6) C 3 s( 5.92%)p 1.94( 11.47%)d13.95( 82.60%) 117. (0.00003) RY ( 7) C 3 s( 21.24%)p 0.30( 6.39%)d 3.41( 72.36%) 118. (0.00001) RY ( 8) C 3 s( 39.50%)p 0.05( 1.91%)d 1.48( 58.59%) 119. (0.00001) RY ( 9) C 3 s( 18.45%)p 0.05( 0.99%)d 4.37( 80.57%) 120. (0.00000) RY (10) C 3 s( 4.00%)p 0.13( 0.52%)d23.85( 95.47%) 121. (0.00450) RY ( 1) C 4 s( 0.01%)p99.99( 94.76%)d99.99( 5.22%) 0.0000 0.0002 0.0101 0.0067 -0.0214 -0.7051 0.0174 0.6627 0.0085 0.1027 0.0138 -0.1016 0.1389 0.1053 0.1065 122. (0.00186) RY ( 2) C 4 s( 6.18%)p12.96( 80.09%)d 2.22( 13.73%) 0.0000 0.0005 0.2445 -0.0452 -0.0015 -0.5474 -0.0021 -0.6371 0.0065 0.3088 -0.2303 -0.1208 -0.1336 -0.0969 0.2061 123. (0.00056) RY ( 3) C 4 s( 36.94%)p 0.67( 24.83%)d 1.04( 38.23%) 0.0000 0.0048 0.6075 -0.0173 -0.0077 0.3529 -0.0020 0.2813 0.0197 0.2102 -0.0641 -0.5237 -0.1248 -0.2137 0.2068 124. (0.00035) RY ( 4) C 4 s( 1.16%)p33.57( 39.02%)d51.46( 59.82%) 0.0000 -0.0093 -0.0366 0.1010 0.0100 -0.1018 -0.0024 0.0062 0.0149 -0.6160 -0.3634 -0.3394 -0.5023 0.3103 -0.0479 125. (0.00025) RY ( 5) C 4 s( 42.21%)p 0.34( 14.18%)d 1.03( 43.61%) 0.0000 -0.0019 0.6497 0.0020 -0.0055 -0.0825 -0.0187 0.0761 0.0033 -0.3589 -0.1136 0.6434 0.0005 -0.0954 -0.0114 126. (0.00012) RY ( 6) C 4 s( 16.27%)p 0.81( 13.17%)d 4.34( 70.56%) 0.0000 -0.0059 -0.2526 0.3144 -0.0024 -0.0500 -0.0053 0.0002 0.0103 -0.3592 -0.1210 -0.0711 0.1987 -0.6988 0.3977 127. (0.00005) RY ( 7) C 4 s( 14.91%)p 1.65( 24.64%)d 4.05( 60.45%) 128. (0.00001) RY ( 8) C 4 s( 14.19%)p 0.49( 6.88%)d 5.56( 78.93%) 129. (0.00000) RY ( 9) C 4 s( 1.44%)p 0.32( 0.45%)d68.34( 98.11%) 130. (0.00000) RY (10) C 4 s( 66.67%)p 0.03( 2.27%)d 0.47( 31.06%) 131. (0.00510) RY ( 1) C 5 s( 0.04%)p99.99( 95.20%)d99.99( 4.75%) 0.0000 -0.0018 0.0211 0.0013 0.0172 0.5736 -0.0246 -0.7798 -0.0056 -0.1183 -0.0003 -0.0850 0.1350 0.1256 0.0793 132. (0.00167) RY ( 2) C 5 s( 6.50%)p11.71( 76.18%)d 2.66( 17.32%) 0.0000 0.0082 0.2548 -0.0073 0.0012 0.6233 0.0042 0.5149 -0.0069 -0.3287 -0.2441 -0.1454 -0.1009 -0.1475 0.2459 133. (0.00047) RY ( 3) C 5 s( 57.24%)p 0.29( 16.73%)d 0.45( 26.03%) 0.0000 -0.0023 0.7529 -0.0744 0.0041 -0.3114 0.0039 -0.2188 -0.0205 0.1484 -0.1252 -0.4054 -0.2176 -0.0693 0.1678 134. (0.00036) RY ( 4) C 5 s( 4.20%)p10.34( 43.46%)d12.45( 52.34%) 0.0000 -0.0076 0.2048 -0.0047 -0.0061 0.2723 0.0104 0.0558 -0.0003 0.5977 -0.2902 0.4845 -0.2718 0.3365 -0.1316 135. (0.00024) RY ( 5) C 5 s( 25.69%)p 0.24( 6.12%)d 2.65( 68.19%) 0.0000 0.0064 0.4763 -0.1733 0.0117 -0.0633 0.0050 -0.0065 0.0110 -0.2385 0.2801 0.6403 0.4081 -0.1253 0.1058 136. (0.00013) RY ( 6) C 5 s( 5.35%)p 5.94( 31.80%)d11.74( 62.85%) 0.0000 -0.0089 -0.1341 0.1883 0.0051 0.0902 0.0014 -0.0205 -0.0118 0.5561 -0.0139 0.0036 0.2819 -0.5843 0.4554 137. (0.00004) RY ( 7) C 5 s( 16.20%)p 1.36( 22.06%)d 3.81( 61.75%) 138. (0.00001) RY ( 8) C 5 s( 3.66%)p 0.93( 3.42%)d25.36( 92.92%) 139. (0.00000) RY ( 9) C 5 s( 63.14%)p 0.02( 1.58%)d 0.56( 35.28%) 140. (0.00000) RY (10) C 5 s( 17.96%)p 0.21( 3.74%)d 4.36( 78.30%) 141. (0.00419) RY ( 1) C 6 s( 0.01%)p 1.00( 92.53%)d 0.08( 7.47%) 0.0000 0.0070 0.0011 -0.0062 -0.0120 -0.5302 -0.0063 -0.8020 -0.0075 -0.0248 -0.1791 0.1440 -0.0106 -0.1471 -0.0109 142. (0.00356) RY ( 2) C 6 s( 0.71%)p99.99( 88.86%)d14.75( 10.44%) 0.0000 -0.0071 0.0834 -0.0079 0.0086 0.1944 0.0059 -0.1664 0.0240 0.9069 -0.0536 -0.2614 0.0951 -0.1490 0.0437 143. (0.00253) RY ( 3) C 6 s( 5.83%)p15.18( 88.49%)d 0.97( 5.68%) 0.0000 0.0124 0.2394 0.0289 0.0065 -0.7618 -0.0072 0.5088 0.0037 0.2137 -0.1823 -0.0510 0.1028 0.0990 0.0255 144. (0.00048) RY ( 4) C 6 s( 59.27%)p 0.01( 0.47%)d 0.68( 40.25%) 0.0000 -0.0015 0.7685 -0.0456 0.0187 0.0533 -0.0079 0.0050 -0.0059 -0.0379 0.2679 0.1364 -0.4146 -0.3622 -0.0950 145. (0.00028) RY ( 5) C 6 s( 21.24%)p 0.27( 5.71%)d 3.44( 73.05%) 0.0000 -0.0039 0.3932 -0.2403 -0.0089 0.1483 0.0155 -0.1866 -0.0031 0.0005 -0.2853 -0.0621 -0.1403 0.7859 0.0893 146. (0.00023) RY ( 6) C 6 s( 9.07%)p 0.09( 0.81%)d 9.94( 90.12%) 0.0000 -0.0009 0.2456 -0.1743 0.0054 0.0094 0.0072 -0.0891 -0.0002 -0.0026 0.4029 0.2000 0.7576 0.1352 -0.3265 147. (0.00009) RY ( 7) C 6 s( 3.02%)p 3.69( 11.14%)d28.43( 85.84%) 148. (0.00008) RY ( 8) C 6 s( 5.91%)p 1.74( 10.30%)d14.19( 83.80%) 149. (0.00003) RY ( 9) C 6 s( 93.80%)p 0.02( 1.65%)d 0.05( 4.55%) 150. (0.00000) RY (10) C 6 s( 1.20%)p 0.18( 0.21%)d81.85( 98.58%) 151. (0.00550) RY ( 1) C 7 s( 1.82%)p51.21( 93.34%)d 2.65( 4.83%) 0.0000 -0.0024 0.1334 -0.0206 0.0019 -0.1148 0.0209 0.9547 -0.0033 -0.0910 -0.0478 0.0475 -0.0261 -0.2076 -0.0048 152. (0.00318) RY ( 2) C 7 s( 0.02%)p99.99( 98.08%)d94.72( 1.90%) 0.0000 -0.0010 0.0140 -0.0022 -0.0177 0.9766 0.0091 0.0840 0.0038 -0.1398 -0.1246 0.0309 0.0124 -0.0483 -0.0087 153. (0.00092) RY ( 3) C 7 s( 0.05%)p99.99( 63.66%)d99.99( 36.30%) 0.0000 0.0003 -0.0115 0.0179 -0.0053 -0.1021 -0.0018 -0.0875 -0.0168 -0.7862 -0.0887 -0.5515 -0.0462 -0.1148 0.1887 154. (0.00016) RY ( 4) C 7 s( 13.07%)p 1.86( 24.25%)d 4.79( 62.68%) 0.0000 0.0016 0.3238 0.1609 -0.0091 -0.0406 0.0163 -0.1533 0.0057 -0.4658 0.3692 0.6219 -0.1500 -0.2042 -0.1990 155. (0.00016) RY ( 5) C 7 s( 61.53%)p 0.19( 11.82%)d 0.43( 26.65%) 0.0000 0.0041 0.7813 0.0697 -0.0068 0.0529 0.0236 -0.1232 -0.0055 0.3155 0.0988 -0.3506 -0.0318 -0.3387 0.1346 156. (0.00012) RY ( 6) C 7 s( 13.02%)p 0.29( 3.80%)d 6.39( 83.18%) 0.0000 0.0005 0.3603 0.0179 0.0242 -0.1232 0.0058 -0.0883 -0.0037 -0.1200 -0.8370 0.2607 0.1626 0.1788 -0.0700 157. (0.00005) RY ( 7) C 7 s( 68.26%)p 0.03( 1.79%)d 0.44( 29.95%) 158. (0.00002) RY ( 8) C 7 s( 40.51%)p 0.07( 2.90%)d 1.40( 56.60%) 159. (0.00001) RY ( 9) C 7 s( 0.00%)p 1.00( 0.59%)d99.99( 99.40%) 160. (0.00000) RY (10) C 7 s( 1.73%)p 0.02( 0.03%)d56.77( 98.24%) 161. (0.00612) RY ( 1) C 8 s( 0.62%)p99.99( 94.78%)d 7.36( 4.60%) 0.0000 -0.0008 0.0772 -0.0168 0.0069 0.0338 -0.0228 -0.9618 0.0023 0.1450 -0.0417 0.0436 -0.0226 -0.2045 0.0005 162. (0.00264) RY ( 2) C 8 s( 0.15%)p99.99( 97.46%)d15.77( 2.39%) 0.0000 0.0150 0.0022 0.0358 0.0181 -0.9712 -0.0003 -0.0133 -0.0030 0.1755 -0.1409 0.0094 0.0352 0.0516 0.0067 163. (0.00084) RY ( 3) C 8 s( 0.01%)p 1.00( 7.19%)d12.90( 92.80%) 0.0000 0.0002 0.0095 -0.0009 -0.0039 -0.0516 -0.0036 -0.0403 -0.0217 -0.2591 0.1434 0.8906 0.0104 0.1598 -0.2978 164. (0.00030) RY ( 4) C 8 s( 88.34%)p 0.01( 1.01%)d 0.12( 10.64%) 0.0000 0.0041 0.9391 -0.0395 0.0164 -0.0506 -0.0216 0.0826 0.0006 0.0053 0.3032 -0.0328 -0.0662 -0.0935 0.0185 165. (0.00009) RY ( 5) C 8 s( 31.53%)p 0.07( 2.14%)d 2.10( 66.34%) 166. (0.00007) RY ( 6) C 8 s( 23.18%)p 0.66( 15.24%)d 2.66( 61.58%) 167. (0.00007) RY ( 7) C 8 s( 1.51%)p50.29( 76.05%)d14.84( 22.44%) 168. (0.00001) RY ( 8) C 8 s( 53.26%)p 0.04( 2.05%)d 0.84( 44.70%) 169. (0.00000) RY ( 9) C 8 s( 0.70%)p 5.54( 3.88%)d99.99( 95.42%) 170. (0.00000) RY (10) C 8 s( 0.73%)p 0.60( 0.44%)d99.99( 98.83%) 171. (0.00507) RY ( 1) C 9 s( 1.86%)p50.40( 93.99%)d 2.22( 4.15%) 0.0000 0.0071 0.1352 -0.0179 -0.0176 -0.6498 -0.0071 -0.6846 0.0042 0.2205 0.1829 -0.0425 -0.0222 0.0756 0.0033 172. (0.00220) RY ( 2) C 9 s( 5.73%)p15.83( 90.71%)d 0.62( 3.56%) 0.0000 -0.0152 0.2107 -0.1126 0.0156 -0.6841 -0.0128 0.6620 -0.0009 0.0223 -0.0650 0.0440 -0.0108 -0.1709 0.0084 173. (0.00097) RY ( 3) C 9 s( 0.00%)p 1.00( 94.82%)d 0.05( 5.18%) 0.0000 0.0000 0.0038 -0.0004 -0.0024 -0.1692 -0.0018 -0.1443 -0.0128 -0.9479 0.0487 0.0877 0.1870 -0.0124 -0.0812 174. (0.00047) RY ( 4) C 9 s( 77.11%)p 0.09( 7.05%)d 0.21( 15.85%) 0.0000 0.0097 0.8776 -0.0272 -0.0185 0.2167 0.0155 -0.1509 0.0010 -0.0122 -0.3193 0.1006 0.0350 -0.2105 0.0299 175. (0.00018) RY ( 5) C 9 s( 0.00%)p 1.00( 0.94%)d99.99( 99.06%) 0.0000 0.0000 -0.0002 0.0014 -0.0022 0.0176 -0.0015 0.0130 -0.0113 0.0938 0.0444 -0.6055 0.7543 -0.2301 -0.0085 176. (0.00015) RY ( 6) C 9 s( 5.76%)p 0.13( 0.77%)d16.23( 93.47%) 0.0000 0.0009 -0.0537 0.2339 -0.0208 0.0660 0.0139 -0.0516 0.0017 -0.0051 0.4389 0.0644 -0.2274 -0.8266 -0.0538 177. (0.00003) RY ( 7) C 9 s( 16.11%)p 0.36( 5.82%)d 4.84( 78.06%) 178. (0.00002) RY ( 8) C 9 s( 85.35%)p 0.02( 1.68%)d 0.15( 12.97%) 179. (0.00000) RY ( 9) C 9 s( 0.00%)p 1.00( 4.27%)d22.41( 95.73%) 180. (0.00000) RY (10) C 9 s( 8.13%)p 0.02( 0.13%)d11.29( 91.74%) 181. (0.01595) RY ( 1) C 10 s( 13.26%)p 6.53( 86.61%)d 0.01( 0.13%) 0.0000 0.0525 0.3582 0.0387 -0.0308 0.6390 -0.0519 0.6397 0.0133 -0.2116 0.0289 -0.0040 -0.0100 -0.0169 -0.0068 182. (0.00567) RY ( 2) C 10 s( 0.17%)p99.99( 62.45%)d99.99( 37.38%) 0.0000 -0.0049 0.0316 -0.0260 -0.0105 0.5556 0.0135 -0.5615 -0.0003 -0.0158 0.0445 -0.1211 0.0748 0.5926 -0.0197 183. (0.00219) RY ( 3) C 10 s( 0.00%)p 1.00( 39.00%)d 1.56( 61.00%) 0.0000 0.0000 0.0016 0.0002 0.0097 0.1049 0.0085 0.0949 0.0554 0.6056 0.1738 0.4450 0.5421 0.0072 -0.2963 184. (0.00187) RY ( 4) C 10 s( 1.09%)p34.09( 37.05%)d56.91( 61.86%) 0.0000 0.0045 0.1002 0.0284 -0.0225 -0.4458 0.0115 0.4135 0.0018 0.0125 -0.0265 -0.1360 0.1162 0.7654 0.0119 185. (0.00075) RY ( 5) C 10 s( 0.06%)p99.99( 30.27%)d99.99( 69.67%) 0.0000 0.0001 0.0237 -0.0054 -0.0013 0.0930 -0.0013 0.0730 0.0008 0.5373 -0.1307 0.2747 -0.7512 0.1595 0.1200 186. (0.00073) RY ( 6) C 10 s( 35.36%)p 0.13( 4.51%)d 1.70( 60.14%) 0.0000 0.0020 0.5789 -0.1357 -0.0328 -0.0970 -0.0323 -0.1816 0.0107 0.0214 -0.7486 0.1079 0.1557 -0.0598 -0.0394 187. (0.00017) RY ( 7) C 10 s( 66.28%)p 0.05( 3.49%)d 0.46( 30.24%) 0.0000 0.0092 -0.5036 0.6396 0.0008 0.1475 -0.0028 0.1063 0.0003 -0.0426 -0.5282 0.0377 0.0753 0.0503 -0.1175 188. (0.00013) RY ( 8) C 10 s( 79.36%)p 0.07( 5.92%)d 0.19( 14.72%) 0.0000 -0.0185 0.5163 0.7258 0.0003 -0.1466 0.0059 -0.1860 -0.0010 0.0555 0.3100 -0.0924 -0.1127 -0.0664 -0.1595 189. (0.00002) RY ( 9) C 10 s( 0.00%)p 1.00( 30.90%)d 2.24( 69.10%) 190. (0.00000) RY (10) C 10 s( 4.56%)p 0.04( 0.16%)d20.89( 95.27%) 191. (0.00212) RY ( 1) C 11 s( 0.55%)p99.99( 95.27%)d 7.63( 4.18%) 0.0000 -0.0062 0.0692 -0.0257 0.0023 -0.1906 -0.0184 -0.9407 0.0024 0.1765 0.1442 -0.0339 0.0048 0.1345 0.0420 192. (0.00072) RY ( 2) C 11 s( 35.15%)p 1.49( 52.28%)d 0.36( 12.57%) 0.0000 -0.0102 0.5927 0.0133 -0.0074 0.6942 0.0022 -0.1777 0.0010 -0.0963 -0.3420 0.0568 0.0508 -0.0492 -0.0219 193. (0.00029) RY ( 3) C 11 s( 0.00%)p 1.00( 34.15%)d 1.93( 65.85%) 0.0000 0.0000 0.0004 -0.0001 -0.0031 -0.1011 -0.0027 -0.0862 -0.0175 -0.5688 0.1218 0.7513 0.0025 0.1357 -0.2465 194. (0.00008) RY ( 4) C 11 s( 17.41%)p 2.33( 40.52%)d 2.42( 42.07%) 195. (0.00002) RY ( 5) C 11 s( 23.00%)p 0.25( 5.73%)d 3.10( 71.27%) 196. (0.00002) RY ( 6) C 11 s( 0.00%)p 1.00( 23.01%)d 3.35( 76.98%) 197. (0.00001) RY ( 7) C 11 s( 42.27%)p 0.02( 0.74%)d 1.35( 56.99%) 198. (0.00000) RY ( 8) C 11 s( 77.56%)p 0.07( 5.46%)d 0.22( 16.98%) 199. (0.00000) RY ( 9) C 11 s( 0.23%)p99.99( 42.84%)d99.99( 56.93%) 200. (0.00000) RY (10) C 11 s( 3.86%)p 0.07( 0.27%)d24.85( 95.87%) 201. (0.00159) RY ( 1) H 12 s(100.00%) -0.0012 1.0000 202. (0.00077) RY ( 1) H 13 s(100.00%) -0.0007 1.0000 203. (0.00076) RY ( 1) H 14 s(100.00%) -0.0007 1.0000 204. (0.00244) RY ( 1) O 15 s( 0.27%)p99.99( 98.99%)d 2.81( 0.75%) 0.0000 -0.0003 0.0507 -0.0090 0.0075 -0.7268 -0.0061 0.6788 -0.0004 0.0272 0.0041 -0.0121 0.0148 0.0834 0.0110 205. (0.00045) RY ( 2) O 15 s( 0.00%)p 1.00( 94.96%)d 0.05( 5.04%) 0.0000 0.0000 0.0003 0.0008 -0.0041 -0.1705 -0.0034 -0.1447 -0.0223 -0.9482 0.0464 0.0482 0.2010 -0.0207 -0.0716 206. (0.00015) RY ( 3) O 15 s( 43.32%)p 0.88( 37.93%)d 0.43( 18.75%) 0.0000 0.0140 0.6176 -0.2272 0.0234 0.4389 0.0282 0.4066 -0.0085 -0.1411 -0.3489 0.0769 0.1287 0.1486 0.1457 207. (0.00009) RY ( 4) O 15 s( 46.05%)p 0.88( 40.37%)d 0.30( 13.58%) 208. (0.00002) RY ( 5) O 15 s( 82.73%)p 0.00( 0.08%)d 0.21( 17.19%) 209. (0.00002) RY ( 6) O 15 s( 2.66%)p 5.07( 13.50%)d31.51( 83.84%) 210. (0.00001) RY ( 7) O 15 s( 0.00%)p 1.00( 0.36%)d99.99( 99.64%) 211. (0.00000) RY ( 8) O 15 s( 6.48%)p 0.90( 5.86%)d13.53( 87.67%) 212. (0.00000) RY ( 9) O 15 s( 0.00%)p 1.00( 4.95%)d19.22( 95.05%) 213. (0.00000) RY (10) O 15 s( 18.50%)p 0.20( 3.77%)d 4.20( 77.73%) 214. (0.00098) RY ( 1) H 16 s(100.00%) -0.0016 1.0000 215. (0.00119) RY ( 1) H 17 s(100.00%) -0.0019 1.0000 216. (0.00215) RY ( 1) H 18 s(100.00%) -0.0052 1.0000 217. (0.00240) RY ( 1) C 19 s( 0.42%)p99.99( 92.31%)d17.33( 7.27%) 0.0000 -0.0047 0.0642 -0.0076 0.0212 0.9191 0.0037 0.2197 -0.0040 -0.1721 -0.2512 0.0304 0.0717 0.0511 0.0310 218. (0.00051) RY ( 2) C 19 s( 0.44%)p71.67( 31.21%)d99.99( 68.35%) 0.0000 -0.0025 0.0658 -0.0039 -0.0030 -0.1317 -0.0061 0.0866 -0.0199 -0.5356 0.0866 -0.3885 0.7004 -0.1670 -0.0817 219. (0.00037) RY ( 3) C 19 s( 21.92%)p 3.40( 74.57%)d 0.16( 3.51%) 0.0000 -0.0141 0.4639 -0.0616 0.0060 -0.2175 -0.0132 0.8348 0.0048 0.0365 -0.0090 0.0817 -0.1295 -0.0927 0.0544 220. (0.00005) RY ( 4) C 19 s( 66.53%)p 0.36( 24.16%)d 0.14( 9.32%) 221. (0.00002) RY ( 5) C 19 s( 10.28%)p 1.49( 15.32%)d 7.24( 74.41%) 222. (0.00001) RY ( 6) C 19 s( 11.86%)p 1.44( 17.13%)d 5.99( 71.01%) 223. (0.00001) RY ( 7) C 19 s( 4.01%)p 8.19( 32.83%)d15.76( 63.16%) 224. (0.00000) RY ( 8) C 19 s( 73.95%)p 0.05( 3.34%)d 0.31( 22.70%) 225. (0.00000) RY ( 9) C 19 s( 8.56%)p 0.71( 6.11%)d 9.97( 85.33%) 226. (0.00000) RY (10) C 19 s( 2.06%)p 1.60( 3.30%)d45.84( 94.63%) 227. (0.00067) RY ( 1) H 20 s(100.00%) -0.0005 1.0000 228. (0.00095) RY ( 1) H 21 s(100.00%) -0.0015 1.0000 229. (0.00116) RY ( 1) H 22 s(100.00%) -0.0019 1.0000 230. (0.00189) RY ( 1) H 23 s(100.00%) -0.0034 1.0000 231. (0.00141) RY ( 1) H 24 s(100.00%) -0.0023 1.0000 232. (0.00173) RY ( 1) H 25 s(100.00%) -0.0031 1.0000 233. (0.00119) RY ( 1) H 26 s(100.00%) -0.0019 1.0000 234. (0.00145) RY ( 1) H 27 s(100.00%) -0.0028 1.0000 235. (0.00236) RY ( 1) C 28 s( 0.41%)p99.99( 91.27%)d20.25( 8.32%) 0.0000 -0.0039 0.0636 -0.0068 0.0194 0.8240 0.0074 0.4430 -0.0034 -0.1926 -0.2126 0.0480 0.0802 0.1697 0.0204 236. (0.00052) RY ( 2) C 28 s( 0.05%)p99.99( 27.23%)d99.99( 72.72%) 0.0000 -0.0009 0.0229 -0.0032 0.0023 0.0155 0.0054 0.1792 0.0220 0.4893 0.0955 0.5717 -0.5570 0.2008 0.2018 237. (0.00032) RY ( 3) C 28 s( 27.50%)p 2.55( 70.01%)d 0.09( 2.49%) 0.0000 -0.0128 0.5173 -0.0852 0.0081 -0.4431 -0.0110 0.6868 0.0010 -0.1784 -0.0595 -0.0002 0.0305 -0.1359 0.0446 238. (0.00005) RY ( 4) C 28 s( 65.98%)p 0.43( 28.11%)d 0.09( 5.91%) 239. (0.00003) RY ( 5) C 28 s( 0.19%)p99.99( 61.18%)d99.99( 38.64%) 240. (0.00001) RY ( 6) C 28 s( 20.86%)p 0.24( 5.01%)d 3.55( 74.13%) 241. (0.00000) RY ( 7) C 28 s( 19.44%)p 0.13( 2.56%)d 4.01( 78.00%) 242. (0.00000) RY ( 8) C 28 s( 7.38%)p 1.20( 8.87%)d11.35( 83.76%) 243. (0.00000) RY ( 9) C 28 s( 56.27%)p 0.09( 4.82%)d 0.69( 38.91%) 244. (0.00000) RY (10) C 28 s( 1.94%)p 0.64( 1.24%)d49.93( 96.82%) 245. (0.00068) RY ( 1) H 29 s(100.00%) -0.0005 1.0000 246. (0.00123) RY ( 1) H 30 s(100.00%) -0.0020 1.0000 247. (0.00119) RY ( 1) H 31 s(100.00%) -0.0019 1.0000 248. (0.00084) RY ( 1) H 32 s(100.00%) -0.0007 1.0000 249. (0.00126) RY ( 1) H 33 s(100.00%) -0.0021 1.0000 250. (0.00128) RY ( 1) H 34 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 =============================================================================== 15. LP ( 1) O 15 -- -- 77.0 231.2 -- -- -- -- 16. LP ( 2) O 15 -- -- 88.1 138.3 -- -- -- -- 17. BD ( 1) C 1- C 2 104.5 47.2 -- -- -- 75.4 228.5 1.2 21. BD ( 1) C 2- C 3 91.9 348.5 91.0 349.2 1.2 87.6 166.7 1.9 22. BD ( 2) C 2- C 3 91.9 348.5 164.1 260.2 87.7 163.4 244.7 87.9 23. BD ( 1) C 2- C 28 101.9 114.9 102.3 113.0 1.9 -- -- -- 24. BD ( 1) C 3- C 4 103.1 39.0 104.3 41.1 2.4 -- -- -- 26. BD ( 1) C 4- C 5 39.0 12.5 -- -- -- 142.3 191.1 1.6 29. BD ( 1) C 5- C 6 102.4 34.9 -- -- -- 76.8 215.6 1.1 32. BD ( 1) C 6- C 7 95.2 333.9 -- -- -- 85.2 151.8 2.2 33. BD ( 2) C 6- C 7 95.2 333.9 13.5 37.3 89.1 166.6 217.8 89.2 34. BD ( 1) C 6- C 19 96.6 100.3 97.1 98.6 1.8 -- -- -- 35. BD ( 1) C 7- C 8 103.1 28.2 103.1 30.0 1.7 76.8 209.6 1.3 38. BD ( 2) C 8- C 9 95.7 335.2 13.7 36.8 89.1 13.0 42.0 89.5 40. BD ( 1) C 9- C 10 84.0 283.5 83.7 282.0 1.5 95.5 106.0 2.6 42. BD ( 1) C 10- C 11 97.9 346.7 97.5 344.5 2.2 -- -- -- 44. BD ( 2) C 10- O 15 76.9 227.2 164.9 220.9 88.1 13.8 40.6 89.4 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 15. LP ( 1) O 15 73. BD*( 1) C 7- H 18 1.03 1.04 0.029 15. LP ( 1) O 15 77. BD*( 1) C 9- C 10 2.00 1.00 0.040 15. LP ( 1) O 15 79. BD*( 1) C 10- C 11 0.95 0.93 0.026 15. LP ( 1) O 15 181. RY ( 1) C 10 11.21 1.34 0.109 15. LP ( 1) O 15 208. RY ( 5) O 15 0.61 3.38 0.040 16. LP ( 2) O 15 73. BD*( 1) C 7- H 18 2.25 0.75 0.037 16. LP ( 2) O 15 77. BD*( 1) C 9- C 10 19.07 0.71 0.104 16. LP ( 2) O 15 79. BD*( 1) C 10- C 11 20.88 0.64 0.103 16. LP ( 2) O 15 182. RY ( 2) C 10 1.86 1.69 0.050 16. LP ( 2) O 15 184. RY ( 4) C 10 2.27 2.19 0.063 17. BD ( 1) C 1- C 2 58. BD*( 1) C 2- C 3 1.85 1.22 0.042 17. BD ( 1) C 1- C 2 61. BD*( 1) C 3- C 4 3.81 0.97 0.054 17. BD ( 1) C 1- C 2 88. BD*( 1) C 28- H 29 1.31 0.98 0.032 17. BD ( 1) C 1- C 2 111. RY ( 1) C 3 1.60 1.72 0.047 17. BD ( 1) C 1- C 2 235. RY ( 1) C 28 0.92 1.37 0.032 18. BD ( 1) C 1- H 32 60. BD*( 1) C 2- C 28 3.23 0.89 0.048 18. BD ( 1) C 1- H 32 103. RY ( 3) C 2 0.60 1.40 0.026 19. BD ( 1) C 1- H 33 58. BD*( 1) C 2- C 3 1.28 1.16 0.034 19. BD ( 1) C 1- H 33 59. BD*( 2) C 2- C 3 3.84 0.54 0.041 19. BD ( 1) C 1- H 33 102. RY ( 2) C 2 0.58 1.37 0.025 20. BD ( 1) C 1- H 34 58. BD*( 1) C 2- C 3 1.37 1.16 0.036 20. BD ( 1) C 1- H 34 59. BD*( 2) C 2- C 3 3.62 0.54 0.039 21. BD ( 1) C 2- C 3 54. BD*( 1) C 1- C 2 1.55 1.03 0.036 21. BD ( 1) C 2- C 3 60. BD*( 1) C 2- C 28 1.76 1.03 0.038 21. BD ( 1) C 2- C 3 61. BD*( 1) C 3- C 4 1.72 1.05 0.038 21. BD ( 1) C 2- C 3 62. BD*( 1) C 3- H 27 1.35 1.07 0.034 21. BD ( 1) C 2- C 3 91. RY ( 1) C 1 0.66 1.43 0.027 21. BD ( 1) C 2- C 3 121. RY ( 1) C 4 1.57 1.66 0.046 21. BD ( 1) C 2- C 3 235. RY ( 1) C 28 0.51 1.45 0.024 22. BD ( 2) C 2- C 3 56. BD*( 1) C 1- H 33 2.82 0.70 0.040 22. BD ( 2) C 2- C 3 57. BD*( 1) C 1- H 34 2.73 0.70 0.039 22. BD ( 2) C 2- C 3 63. BD*( 1) C 4- C 5 3.20 0.62 0.040 22. BD ( 2) C 2- C 3 64. BD*( 1) C 4- H 25 2.27 0.70 0.036 22. BD ( 2) C 2- C 3 89. BD*( 1) C 28- H 30 2.49 0.69 0.037 22. BD ( 2) C 2- C 3 90. BD*( 1) C 28- H 31 2.50 0.69 0.037 23. BD ( 1) C 2- C 28 55. BD*( 1) C 1- H 32 1.13 0.99 0.030 23. BD ( 1) C 2- C 28 58. BD*( 1) C 2- C 3 1.85 1.22 0.042 23. BD ( 1) C 2- C 28 62. BD*( 1) C 3- H 27 2.24 1.00 0.042 23. BD ( 1) C 2- C 28 91. RY ( 1) C 1 0.92 1.36 0.031 23. BD ( 1) C 2- C 28 111. RY ( 1) C 3 1.13 1.72 0.039 24. BD ( 1) C 3- C 4 54. BD*( 1) C 1- C 2 3.03 0.95 0.048 24. BD ( 1) C 3- C 4 58. BD*( 1) C 2- C 3 2.00 1.22 0.044 24. BD ( 1) C 3- C 4 63. BD*( 1) C 4- C 5 0.55 0.89 0.020 24. BD ( 1) C 3- C 4 64. BD*( 1) C 4- H 25 0.56 0.97 0.021 24. BD ( 1) C 3- C 4 66. BD*( 1) C 5- C 6 1.79 0.95 0.037 24. BD ( 1) C 3- C 4 101. RY ( 1) C 2 2.64 1.74 0.060 24. BD ( 1) C 3- C 4 132. RY ( 2) C 5 1.21 1.54 0.039 25. BD ( 1) C 3- H 27 54. BD*( 1) C 1- C 2 0.57 0.89 0.020 25. BD ( 1) C 3- H 27 58. BD*( 1) C 2- C 3 0.99 1.16 0.030 25. BD ( 1) C 3- H 27 60. BD*( 1) C 2- C 28 6.18 0.89 0.066 25. BD ( 1) C 3- H 27 65. BD*( 1) C 4- H 26 2.15 0.92 0.040 25. BD ( 1) C 3- H 27 101. RY ( 1) C 2 1.21 1.68 0.040 25. BD ( 1) C 3- H 27 121. RY ( 1) C 4 0.74 1.52 0.030 26. BD ( 1) C 4- C 5 58. BD*( 1) C 2- C 3 0.89 1.19 0.029 26. BD ( 1) C 4- C 5 59. BD*( 2) C 2- C 3 2.70 0.57 0.035 26. BD ( 1) C 4- C 5 61. BD*( 1) C 3- C 4 0.51 0.94 0.020 26. BD ( 1) C 4- C 5 69. BD*( 1) C 6- C 7 0.59 1.16 0.023 26. BD ( 1) C 4- C 5 70. BD*( 2) C 6- C 7 3.13 0.56 0.037 26. BD ( 1) C 4- C 5 112. RY ( 2) C 3 1.35 1.34 0.038 26. BD ( 1) C 4- C 5 142. RY ( 2) C 6 1.36 1.39 0.039 27. BD ( 1) C 4- H 25 58. BD*( 1) C 2- C 3 1.77 1.15 0.040 27. BD ( 1) C 4- H 25 59. BD*( 2) C 2- C 3 3.30 0.53 0.037 27. BD ( 1) C 4- H 25 67. BD*( 1) C 5- H 23 2.43 0.90 0.042 27. BD ( 1) C 4- H 25 131. RY ( 1) C 5 0.75 1.53 0.030 28. BD ( 1) C 4- H 26 62. BD*( 1) C 3- H 27 2.71 0.94 0.045 28. BD ( 1) C 4- H 26 68. BD*( 1) C 5- H 24 2.10 0.92 0.039 28. BD ( 1) C 4- H 26 88. BD*( 1) C 28- H 29 0.65 0.93 0.022 28. BD ( 1) C 4- H 26 131. RY ( 1) C 5 0.77 1.54 0.031 29. BD ( 1) C 5- C 6 61. BD*( 1) C 3- C 4 1.40 0.97 0.033 29. BD ( 1) C 5- C 6 63. BD*( 1) C 4- C 5 0.54 0.89 0.020 29. BD ( 1) C 5- C 6 69. BD*( 1) C 6- C 7 1.65 1.19 0.039 29. BD ( 1) C 5- C 6 72. BD*( 1) C 7- C 8 3.46 1.05 0.054 29. BD ( 1) C 5- C 6 85. BD*( 1) C 19- H 20 1.27 0.98 0.032 29. BD ( 1) C 5- C 6 122. RY ( 2) C 4 1.17 1.48 0.037 29. BD ( 1) C 5- C 6 151. RY ( 1) C 7 1.53 1.74 0.046 29. BD ( 1) C 5- C 6 152. RY ( 2) C 7 0.63 1.43 0.027 29. BD ( 1) C 5- C 6 217. RY ( 1) C 19 0.94 1.36 0.032 30. BD ( 1) C 5- H 23 64. BD*( 1) C 4- H 25 2.31 0.91 0.041 30. BD ( 1) C 5- H 23 69. BD*( 1) C 6- C 7 1.79 1.12 0.040 30. BD ( 1) C 5- H 23 70. BD*( 2) C 6- C 7 2.86 0.52 0.034 30. BD ( 1) C 5- H 23 121. RY ( 1) C 4 0.96 1.52 0.034 31. BD ( 1) C 5- H 24 65. BD*( 1) C 4- H 26 2.40 0.92 0.042 31. BD ( 1) C 5- H 24 71. BD*( 1) C 6- C 19 3.36 0.88 0.049 31. BD ( 1) C 5- H 24 121. RY ( 1) C 4 0.59 1.52 0.027 31. BD ( 1) C 5- H 24 143. RY ( 3) C 6 0.67 1.45 0.028 32. BD ( 1) C 6- C 7 66. BD*( 1) C 5- C 6 1.34 1.03 0.033 32. BD ( 1) C 6- C 7 71. BD*( 1) C 6- C 19 1.49 1.02 0.035 32. BD ( 1) C 6- C 7 72. BD*( 1) C 7- C 8 2.05 1.13 0.043 32. BD ( 1) C 6- C 7 73. BD*( 1) C 7- H 18 1.59 1.11 0.038 32. BD ( 1) C 6- C 7 74. BD*( 1) C 8- C 9 1.15 1.25 0.034 32. BD ( 1) C 6- C 7 131. RY ( 1) C 5 1.24 1.68 0.041 32. BD ( 1) C 6- C 7 161. RY ( 1) C 8 1.76 1.80 0.050 33. BD ( 2) C 6- C 7 63. BD*( 1) C 4- C 5 3.62 0.62 0.042 33. BD ( 2) C 6- C 7 67. BD*( 1) C 5- H 23 2.07 0.70 0.034 33. BD ( 2) C 6- C 7 75. BD*( 2) C 8- C 9 20.00 0.30 0.069 33. BD ( 2) C 6- C 7 86. BD*( 1) C 19- H 21 2.49 0.69 0.037 33. BD ( 2) C 6- C 7 87. BD*( 1) C 19- H 22 2.32 0.69 0.036 33. BD ( 2) C 6- C 7 163. RY ( 3) C 8 0.79 2.11 0.036 34. BD ( 1) C 6- C 19 68. BD*( 1) C 5- H 24 0.95 1.00 0.027 34. BD ( 1) C 6- C 19 69. BD*( 1) C 6- C 7 1.52 1.20 0.038 34. BD ( 1) C 6- C 19 73. BD*( 1) C 7- H 18 2.05 1.05 0.041 34. BD ( 1) C 6- C 19 86. BD*( 1) C 19- H 21 0.54 0.98 0.020 34. BD ( 1) C 6- C 19 131. RY ( 1) C 5 1.13 1.62 0.038 34. BD ( 1) C 6- C 19 151. RY ( 1) C 7 0.73 1.75 0.032 34. BD ( 1) C 6- C 19 152. RY ( 2) C 7 0.60 1.45 0.026 35. BD ( 1) C 7- C 8 66. BD*( 1) C 5- C 6 2.60 0.99 0.045 35. BD ( 1) C 7- C 8 69. BD*( 1) C 6- C 7 2.04 1.22 0.045 35. BD ( 1) C 7- C 8 73. BD*( 1) C 7- H 18 0.72 1.07 0.025 35. BD ( 1) C 7- C 8 74. BD*( 1) C 8- C 9 1.83 1.21 0.042 35. BD ( 1) C 7- C 8 78. BD*( 1) C 9- H 16 1.77 1.03 0.038 35. BD ( 1) C 7- C 8 141. RY ( 1) C 6 2.43 1.77 0.059 35. BD ( 1) C 7- C 8 171. RY ( 1) C 9 1.44 1.75 0.045 35. BD ( 1) C 7- C 8 172. RY ( 2) C 9 0.76 1.48 0.030 36. BD ( 1) C 7- H 18 66. BD*( 1) C 5- C 6 0.51 0.89 0.019 36. BD ( 1) C 7- H 18 69. BD*( 1) C 6- C 7 1.28 1.12 0.034 36. BD ( 1) C 7- H 18 71. BD*( 1) C 6- C 19 5.83 0.88 0.064 36. BD ( 1) C 7- H 18 76. BD*( 1) C 8- H 17 2.89 0.93 0.046 36. BD ( 1) C 7- H 18 141. RY ( 1) C 6 1.15 1.67 0.039 37. BD ( 1) C 8- C 9 69. BD*( 1) C 6- C 7 1.38 1.27 0.037 37. BD ( 1) C 8- C 9 72. BD*( 1) C 7- C 8 1.98 1.13 0.042 37. BD ( 1) C 8- C 9 76. BD*( 1) C 8- H 17 1.09 1.08 0.031 37. BD ( 1) C 8- C 9 77. BD*( 1) C 9- C 10 1.61 1.07 0.037 37. BD ( 1) C 8- C 9 78. BD*( 1) C 9- H 16 1.24 1.08 0.033 37. BD ( 1) C 8- C 9 79. BD*( 1) C 10- C 11 1.12 1.00 0.030 37. BD ( 1) C 8- C 9 151. RY ( 1) C 7 1.52 1.82 0.047 37. BD ( 1) C 8- C 9 181. RY ( 1) C 10 1.32 1.42 0.039 37. BD ( 1) C 8- C 9 214. RY ( 1) H 16 0.54 1.22 0.023 37. BD ( 1) C 8- C 9 215. RY ( 1) H 17 0.63 1.28 0.025 38. BD ( 2) C 8- C 9 70. BD*( 2) C 6- C 7 12.25 0.32 0.056 38. BD ( 2) C 8- C 9 75. BD*( 2) C 8- C 9 0.58 0.31 0.012 38. BD ( 2) C 8- C 9 81. BD*( 2) C 10- O 15 21.62 0.29 0.071 38. BD ( 2) C 8- C 9 153. RY ( 3) C 7 1.13 1.38 0.035 38. BD ( 2) C 8- C 9 183. RY ( 3) C 10 0.52 1.78 0.027 39. BD ( 1) C 8- H 17 73. BD*( 1) C 7- H 18 2.61 0.99 0.045 39. BD ( 1) C 8- H 17 74. BD*( 1) C 8- C 9 0.62 1.13 0.024 39. BD ( 1) C 8- H 17 77. BD*( 1) C 9- C 10 5.17 0.95 0.063 39. BD ( 1) C 8- H 17 85. BD*( 1) C 19- H 20 0.66 0.94 0.022 39. BD ( 1) C 8- H 17 151. RY ( 1) C 7 0.62 1.69 0.029 39. BD ( 1) C 8- H 17 171. RY ( 1) C 9 1.25 1.67 0.041 40. BD ( 1) C 9- C 10 74. BD*( 1) C 8- C 9 1.42 1.22 0.037 40. BD ( 1) C 9- C 10 76. BD*( 1) C 8- H 17 1.80 1.04 0.039 40. BD ( 1) C 9- C 10 82. BD*( 1) C 11- H 12 0.90 1.04 0.027 40. BD ( 1) C 9- C 10 161. RY ( 1) C 8 1.39 1.76 0.044 40. BD ( 1) C 9- C 10 162. RY ( 2) C 8 1.16 1.44 0.036 40. BD ( 1) C 9- C 10 191. RY ( 1) C 11 1.18 1.36 0.036 40. BD ( 1) C 9- C 10 204. RY ( 1) O 15 0.87 1.81 0.035 41. BD ( 1) C 9- H 16 72. BD*( 1) C 7- C 8 4.95 1.00 0.063 41. BD ( 1) C 9- H 16 74. BD*( 1) C 8- C 9 0.81 1.13 0.027 41. BD ( 1) C 9- H 16 80. BD*( 1) C 10- O 15 3.62 1.08 0.056 41. BD ( 1) C 9- H 16 161. RY ( 1) C 8 1.20 1.67 0.040 42. BD ( 1) C 10- C 11 74. BD*( 1) C 8- C 9 2.03 1.19 0.044 42. BD ( 1) C 10- C 11 171. RY ( 1) C 9 1.15 1.73 0.040 42. BD ( 1) C 10- C 11 172. RY ( 2) C 9 0.66 1.46 0.028 42. BD ( 1) C 10- C 11 204. RY ( 1) O 15 0.98 1.78 0.037 43. BD ( 1) C 10- O 15 77. BD*( 1) C 9- C 10 0.55 1.34 0.024 43. BD ( 1) C 10- O 15 78. BD*( 1) C 9- H 16 0.51 1.35 0.023 44. BD ( 2) C 10- O 15 75. BD*( 2) C 8- C 9 5.27 0.40 0.041 44. BD ( 2) C 10- O 15 83. BD*( 1) C 11- H 13 1.51 0.79 0.031 44. BD ( 2) C 10- O 15 84. BD*( 1) C 11- H 14 1.51 0.79 0.031 44. BD ( 2) C 10- O 15 173. RY ( 3) C 9 0.58 1.03 0.022 45. BD ( 1) C 11- H 12 77. BD*( 1) C 9- C 10 3.04 0.93 0.048 45. BD ( 1) C 11- H 12 80. BD*( 1) C 10- O 15 1.04 1.07 0.030 46. BD ( 1) C 11- H 13 80. BD*( 1) C 10- O 15 1.44 1.08 0.035 46. BD ( 1) C 11- H 13 81. BD*( 2) C 10- O 15 4.78 0.50 0.044 47. BD ( 1) C 11- H 14 80. BD*( 1) C 10- O 15 1.44 1.08 0.035 47. BD ( 1) C 11- H 14 81. BD*( 2) C 10- O 15 4.80 0.50 0.044 48. BD ( 1) C 19- H 20 66. BD*( 1) C 5- C 6 3.09 0.91 0.047 48. BD ( 1) C 19- H 20 76. BD*( 1) C 8- H 17 0.64 0.95 0.022 48. BD ( 1) C 19- H 20 143. RY ( 3) C 6 0.68 1.47 0.028 49. BD ( 1) C 19- H 21 69. BD*( 1) C 6- C 7 1.51 1.14 0.037 49. BD ( 1) C 19- H 21 70. BD*( 2) C 6- C 7 4.08 0.54 0.042 50. BD ( 1) C 19- H 22 69. BD*( 1) C 6- C 7 1.67 1.13 0.039 50. BD ( 1) C 19- H 22 70. BD*( 2) C 6- C 7 4.11 0.53 0.042 50. BD ( 1) C 19- H 22 142. RY ( 2) C 6 0.73 1.36 0.028 51. BD ( 1) C 28- H 29 54. BD*( 1) C 1- C 2 3.08 0.90 0.047 51. BD ( 1) C 28- H 29 65. BD*( 1) C 4- H 26 0.66 0.93 0.022 51. BD ( 1) C 28- H 29 103. RY ( 3) C 2 0.64 1.41 0.027 52. BD ( 1) C 28- H 30 58. BD*( 1) C 2- C 3 1.56 1.16 0.038 52. BD ( 1) C 28- H 30 59. BD*( 2) C 2- C 3 3.86 0.54 0.041 53. BD ( 1) C 28- H 31 58. BD*( 1) C 2- C 3 1.54 1.16 0.038 53. BD ( 1) C 28- H 31 59. BD*( 2) C 2- C 3 4.00 0.54 0.041 53. BD ( 1) C 28- H 31 102. RY ( 2) C 2 0.72 1.37 0.028 NATURAL BOND ORBITALS (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) =============================================================================== Molecular unit 1 (C13H20O) ------ Lewis -------------------------------------- 1. CR ( 1) C 1 1.99999 -10.17700 2. CR ( 1) C 2 2.00000 -10.18960 3. CR ( 1) C 3 2.00000 -10.17478 4. CR ( 1) C 4 1.99999 -10.18679 5. CR ( 1) C 5 1.99999 -10.18686 6. CR ( 1) C 6 2.00000 -10.20670 7. CR ( 1) C 7 2.00000 -10.17832 8. CR ( 1) C 8 2.00000 -10.20546 9. CR ( 1) C 9 2.00000 -10.18547 10. CR ( 1) C 10 2.00000 -10.26309 11. CR ( 1) C 11 1.99999 -10.17945 12. CR ( 1) O 15 2.00000 -19.12067 13. CR ( 1) C 19 1.99999 -10.18929 14. CR ( 1) C 28 1.99999 -10.17993 15. LP ( 1) O 15 1.97598 -0.53194 181(v),77(v),73(r),79(v) 208(g) 16. LP ( 2) O 15 1.89000 -0.24013 79(v),77(v),184(v),73(r) 182(v) 17. BD ( 1) C 1- C 2 1.98113 -0.51860 61(v),58(g),111(v),88(v) 235(v) 18. BD ( 1) C 1- H 32 1.99058 -0.46174 60(v),103(v) 19. BD ( 1) C 1- H 33 1.98204 -0.45965 59(v),58(v),102(v) 20. BD ( 1) C 1- H 34 1.98207 -0.45956 59(v),58(v) 21. BD ( 1) C 2- C 3 1.98259 -0.59793 60(g),61(g),121(v),54(g) 62(g),91(v),235(v) 22. BD ( 2) C 2- C 3 1.94167 -0.24838 63(v),56(v),57(v),90(v) 89(v),64(v) 23. BD ( 1) C 2- C 28 1.98271 -0.52342 62(v),58(g),111(v),55(v) 91(v) 24. BD ( 1) C 3- C 4 1.97986 -0.51991 54(v),101(v),58(g),66(v) 132(v),64(g),63(g) 25. BD ( 1) C 3- H 27 1.97664 -0.45892 60(v),65(v),101(v),58(g) 121(v),54(v) 26. BD ( 1) C 4- C 5 1.96377 -0.49626 70(v),59(v),142(v),112(v) 58(v),69(v),61(g) 27. BD ( 1) C 4- H 25 1.97379 -0.45303 59(v),67(v),58(v),131(v) 28. BD ( 1) C 4- H 26 1.98135 -0.46247 62(v),68(v),131(v),88(r) 29. BD ( 1) C 5- C 6 1.97629 -0.52484 72(v),69(g),151(v),61(v) 85(v),122(v),217(v),152(v) 63(g) 30. BD ( 1) C 5- H 23 1.97450 -0.45723 70(v),64(v),69(v),121(v) 31. BD ( 1) C 5- H 24 1.98130 -0.45749 71(v),65(v),143(v),121(v) 32. BD ( 1) C 6- C 7 1.98146 -0.60109 72(g),161(v),73(g),71(g) 66(g),131(v),74(v) 33. BD ( 2) C 6- C 7 1.82967 -0.25090 75(v),63(v),86(v),87(v) 67(v),163(v) 34. BD ( 1) C 6- C 19 1.98423 -0.53753 73(v),69(g),131(v),68(v) 151(v),152(v),86(g) 35. BD ( 1) C 7- C 8 1.97987 -0.56014 66(v),141(v),69(g),74(g) 78(v),171(v),172(v),73(g) 36. BD ( 1) C 7- H 18 1.97461 -0.45802 71(v),76(v),69(g),141(v) 66(v) 37. BD ( 1) C 8- C 9 1.98484 -0.60707 72(g),77(g),151(v),69(v) 181(v),78(g),79(v),76(g) 215(v),214(v) 38. BD ( 2) C 8- C 9 1.83648 -0.25926 81(v),70(v),153(v),75(g) 183(v) 39. BD ( 1) C 8- H 17 1.97873 -0.48367 77(v),73(v),171(v),85(r) 151(v),74(g) 40. BD ( 1) C 9- C 10 1.98538 -0.56826 76(v),74(g),161(v),191(v) 162(v),82(v),204(v) 41. BD ( 1) C 9- H 16 1.97994 -0.47875 72(v),80(v),161(v),74(g) 42. BD ( 1) C 10- C 11 1.99115 -0.54139 74(v),171(v),204(v),172(v) 43. BD ( 1) C 10- O 15 1.99633 -0.87827 77(g),78(v) 44. BD ( 2) C 10- O 15 1.97278 -0.35198 75(v),84(v),83(v),173(v) 45. BD ( 1) C 11- H 12 1.99071 -0.46663 77(v),80(v) 46. BD ( 1) C 11- H 13 1.97578 -0.47216 81(v),80(v) 47. BD ( 1) C 11- H 14 1.97575 -0.47213 81(v),80(v) 48. BD ( 1) C 19- H 20 1.98959 -0.47721 66(v),143(v),76(r) 49. BD ( 1) C 19- H 21 1.97690 -0.47216 70(v),69(v) 50. BD ( 1) C 19- H 22 1.97753 -0.47075 70(v),69(v),142(v) 51. BD ( 1) C 28- H 29 1.98970 -0.46737 54(v),65(r),103(v) 52. BD ( 1) C 28- H 30 1.98100 -0.46170 59(v),58(v) 53. BD ( 1) C 28- H 31 1.98112 -0.46197 59(v),58(v),102(v) ------ non-Lewis ---------------------------------- 54. BD*( 1) C 1- C 2 0.01581 0.43012 55. BD*( 1) C 1- H 32 0.00525 0.46268 56. BD*( 1) C 1- H 33 0.01062 0.44789 57. BD*( 1) C 1- H 34 0.01064 0.44817 58. BD*( 1) C 2- C 3 0.01834 0.69724 59. BD*( 2) C 2- C 3 0.07972 0.07699 60. BD*( 1) C 2- C 28 0.02037 0.43023 61. BD*( 1) C 3- C 4 0.01529 0.44857 62. BD*( 1) C 3- H 27 0.01592 0.47587 63. BD*( 1) C 4- C 5 0.02226 0.36899 64. BD*( 1) C 4- H 25 0.01565 0.45230 65. BD*( 1) C 4- H 26 0.01486 0.46155 66. BD*( 1) C 5- C 6 0.02000 0.42835 67. BD*( 1) C 5- H 23 0.01544 0.44732 68. BD*( 1) C 5- H 24 0.01184 0.45969 69. BD*( 1) C 6- C 7 0.01813 0.66354 70. BD*( 2) C 6- C 7 0.11074 0.06288 71. BD*( 1) C 6- C 19 0.02051 0.42072 72. BD*( 1) C 7- C 8 0.01984 0.52598 73. BD*( 1) C 7- H 18 0.02152 0.50780 74. BD*( 1) C 8- C 9 0.01035 0.64942 75. BD*( 2) C 8- C 9 0.14305 0.04707 76. BD*( 1) C 8- H 17 0.01534 0.46937 77. BD*( 1) C 9- C 10 0.05926 0.46642 78. BD*( 1) C 9- H 16 0.01183 0.47144 79. BD*( 1) C 10- C 11 0.05379 0.39500 80. BD*( 1) C 10- O 15 0.01302 0.60473 81. BD*( 2) C 10- O 15 0.16722 0.03226 82. BD*( 1) C 11- H 12 0.00430 0.46902 83. BD*( 1) C 11- H 13 0.00584 0.44259 84. BD*( 1) C 11- H 14 0.00584 0.44263 85. BD*( 1) C 19- H 20 0.00669 0.45949 86. BD*( 1) C 19- H 21 0.00975 0.44087 87. BD*( 1) C 19- H 22 0.00961 0.43755 88. BD*( 1) C 28- H 29 0.00669 0.46636 89. BD*( 1) C 28- H 30 0.01035 0.44571 90. BD*( 1) C 28- H 31 0.01008 0.44528 91. RY ( 1) C 1 0.00261 0.83187 92. RY ( 2) C 1 0.00054 1.74389 93. RY ( 3) C 1 0.00026 0.97359 94. RY ( 4) C 1 0.00004 1.58358 95. RY ( 5) C 1 0.00002 1.32376 96. RY ( 6) C 1 0.00001 2.05678 97. RY ( 7) C 1 0.00000 3.39918 98. RY ( 8) C 1 0.00000 2.24817 99. RY ( 9) C 1 0.00000 1.71185 100. RY (10) C 1 0.00000 1.86846 101. RY ( 1) C 2 0.00406 1.21884 102. RY ( 2) C 2 0.00273 0.91113 103. RY ( 3) C 2 0.00253 0.93985 104. RY ( 4) C 2 0.00036 2.22653 105. RY ( 5) C 2 0.00020 1.89810 106. RY ( 6) C 2 0.00014 2.57709 107. RY ( 7) C 2 0.00007 2.69496 108. RY ( 8) C 2 0.00004 1.82107 109. RY ( 9) C 2 0.00000 1.83966 110. RY (10) C 2 0.00000 2.73639 111. RY ( 1) C 3 0.00452 1.19695 112. RY ( 2) C 3 0.00277 0.83926 113. RY ( 3) C 3 0.00145 0.87775 114. RY ( 4) C 3 0.00033 1.31388 115. RY ( 5) C 3 0.00010 2.44632 116. RY ( 6) C 3 0.00007 1.86834 117. RY ( 7) C 3 0.00003 2.53138 118. RY ( 8) C 3 0.00001 2.94090 119. RY ( 9) C 3 0.00001 2.44214 120. RY (10) C 3 0.00000 2.14756 121. RY ( 1) C 4 0.00450 1.06485 122. RY ( 2) C 4 0.00186 0.95824 123. RY ( 3) C 4 0.00056 1.50718 124. RY ( 4) C 4 0.00035 1.44817 125. RY ( 5) C 4 0.00025 1.65927 126. RY ( 6) C 4 0.00012 2.09063 127. RY ( 7) C 4 0.00005 2.05424 128. RY ( 8) C 4 0.00001 2.29589 129. RY ( 9) C 4 0.00000 2.00818 130. RY (10) C 4 0.00000 3.52034 131. RY ( 1) C 5 0.00510 1.08121 132. RY ( 2) C 5 0.00167 1.01842 133. RY ( 3) C 5 0.00047 1.53195 134. RY ( 4) C 5 0.00036 1.45899 135. RY ( 5) C 5 0.00024 1.97120 136. RY ( 6) C 5 0.00013 1.70368 137. RY ( 7) C 5 0.00004 2.22311 138. RY ( 8) C 5 0.00001 2.06544 139. RY ( 9) C 5 0.00000 3.38832 140. RY (10) C 5 0.00000 2.20630 141. RY ( 1) C 6 0.00419 1.21022 142. RY ( 2) C 6 0.00356 0.89334 143. RY ( 3) C 6 0.00253 0.99293 144. RY ( 4) C 6 0.00048 1.64126 145. RY ( 5) C 6 0.00028 2.15882 146. RY ( 6) C 6 0.00023 1.98959 147. RY ( 7) C 6 0.00009 1.86618 148. RY ( 8) C 6 0.00008 2.13299 149. RY ( 9) C 6 0.00003 3.97941 150. RY (10) C 6 0.00000 2.20567 151. RY ( 1) C 7 0.00550 1.21123 152. RY ( 2) C 7 0.00318 0.90918 153. RY ( 3) C 7 0.00092 1.12145 154. RY ( 4) C 7 0.00016 1.74496 155. RY ( 5) C 7 0.00016 1.44585 156. RY ( 6) C 7 0.00012 2.15685 157. RY ( 7) C 7 0.00005 2.87800 158. RY ( 8) C 7 0.00002 3.13843 159. RY ( 9) C 7 0.00001 1.80549 160. RY (10) C 7 0.00000 2.30558 161. RY ( 1) C 8 0.00612 1.19586 162. RY ( 2) C 8 0.00264 0.86931 163. RY ( 3) C 8 0.00084 1.85986 164. RY ( 4) C 8 0.00030 1.25884 165. RY ( 5) C 8 0.00009 2.46443 166. RY ( 6) C 8 0.00007 2.41916 167. RY ( 7) C 8 0.00007 0.99713 168. RY ( 8) C 8 0.00001 3.30226 169. RY ( 9) C 8 0.00000 1.77092 170. RY (10) C 8 0.00000 2.37472 171. RY ( 1) C 9 0.00507 1.18876 172. RY ( 2) C 9 0.00220 0.91552 173. RY ( 3) C 9 0.00097 0.67428 174. RY ( 4) C 9 0.00047 1.21128 175. RY ( 5) C 9 0.00018 1.93605 176. RY ( 6) C 9 0.00015 2.40435 177. RY ( 7) C 9 0.00003 2.11932 178. RY ( 8) C 9 0.00002 3.95153 179. RY ( 9) C 9 0.00000 1.76025 180. RY (10) C 9 0.00000 2.35507 181. RY ( 1) C 10 0.01595 0.80892 182. RY ( 2) C 10 0.00567 1.45153 183. RY ( 3) C 10 0.00219 1.52539 184. RY ( 4) C 10 0.00187 1.95111 185. RY ( 5) C 10 0.00075 1.54639 186. RY ( 6) C 10 0.00073 1.92888 187. RY ( 7) C 10 0.00017 1.87866 188. RY ( 8) C 10 0.00013 3.63741 189. RY ( 9) C 10 0.00002 1.55169 190. RY (10) C 10 0.00000 2.24375 191. RY ( 1) C 11 0.00212 0.79616 192. RY ( 2) C 11 0.00072 1.03403 193. RY ( 3) C 11 0.00029 1.58239 194. RY ( 4) C 11 0.00008 1.39592 195. RY ( 5) C 11 0.00002 2.05701 196. RY ( 6) C 11 0.00002 1.63241 197. RY ( 7) C 11 0.00001 2.89239 198. RY ( 8) C 11 0.00000 2.77447 199. RY ( 9) C 11 0.00000 1.34233 200. RY (10) C 11 0.00000 2.15430 201. RY ( 1) H 12 0.00159 0.65528 202. RY ( 1) H 13 0.00077 0.66079 203. RY ( 1) H 14 0.00076 0.66075 204. RY ( 1) O 15 0.00244 1.24199 205. RY ( 2) O 15 0.00045 1.04167 206. RY ( 3) O 15 0.00015 2.05584 207. RY ( 4) O 15 0.00009 1.45825 208. RY ( 5) O 15 0.00002 2.85237 209. RY ( 6) O 15 0.00002 2.00407 210. RY ( 7) O 15 0.00001 1.84009 211. RY ( 8) O 15 0.00000 2.61880 212. RY ( 9) O 15 0.00000 2.00622 213. RY (10) O 15 0.00000 2.63003 214. RY ( 1) H 16 0.00098 0.61238 215. RY ( 1) H 17 0.00119 0.66843 216. RY ( 1) H 18 0.00215 0.73343 217. RY ( 1) C 19 0.00240 0.83795 218. RY ( 2) C 19 0.00051 1.63047 219. RY ( 3) C 19 0.00037 0.77892 220. RY ( 4) C 19 0.00005 1.72268 221. RY ( 5) C 19 0.00002 1.80956 222. RY ( 6) C 19 0.00001 2.00737 223. RY ( 7) C 19 0.00001 1.55980 224. RY ( 8) C 19 0.00000 3.40607 225. RY ( 9) C 19 0.00000 1.97695 226. RY (10) C 19 0.00000 2.01197 227. RY ( 1) H 20 0.00067 0.72133 228. RY ( 1) H 21 0.00095 0.70715 229. RY ( 1) H 22 0.00116 0.66747 230. RY ( 1) H 23 0.00189 0.67735 231. RY ( 1) H 24 0.00141 0.70154 232. RY ( 1) H 25 0.00173 0.67217 233. RY ( 1) H 26 0.00119 0.79091 234. RY ( 1) H 27 0.00145 0.65072 235. RY ( 1) C 28 0.00236 0.85061 236. RY ( 2) C 28 0.00052 1.70933 237. RY ( 3) C 28 0.00032 0.81697 238. RY ( 4) C 28 0.00005 1.57803 239. RY ( 5) C 28 0.00003 1.14310 240. RY ( 6) C 28 0.00001 2.15366 241. RY ( 7) C 28 0.00000 2.53412 242. RY ( 8) C 28 0.00000 1.93746 243. RY ( 9) C 28 0.00000 3.09455 244. RY (10) C 28 0.00000 1.94220 245. RY ( 1) H 29 0.00068 0.72549 246. RY ( 1) H 30 0.00123 0.67014 247. RY ( 1) H 31 0.00119 0.67032 248. RY ( 1) H 32 0.00084 0.67701 249. RY ( 1) H 33 0.00126 0.67204 250. RY ( 1) H 34 0.00128 0.67189 ------------------------------- Total Lewis 104.82977 ( 98.8960%) Valence non-Lewis 1.02576 ( 0.9677%) Rydberg non-Lewis 0.14448 ( 0.1363%) ------------------------------- Total unit 1 106.00000 (100.0000%) Charge unit 1 0.00000 $CHOOSE LONE 15 2 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 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 0.06844658 1 1 0 87 0 2.000 1.168 2 70/151 0.06330079 74 160 0 520 0 0.288 0.077 3 95/2092 0.06154803 94 2395 -75 80 0 0.180 0.040 QPNRT(95/2092): D(0)=0.06844658; D(w)=0.06154803; dbmax=0.180; dbrms=0.040 Timing(sec): search=124.42; Gram matrix=203.07; minimize=5.22; other=8.26 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3. C 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 4. C 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 5. C 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 6. C 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 7. C 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 8. C 0 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 1 9. C 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 1 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. O 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 16. H 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 17. H 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 18. H 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 19. C 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 20. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 22. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 23. H 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 24. H 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 25. H 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 26. H 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 27. H 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 28. C 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 29. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 30. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 31. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 32. H 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 33. H 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 34. 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 28 29 30 31 32 33 34 ---- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- 1. C 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2. C 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 3. C 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 4. C 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 5. C 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 6. C 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7. C 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8. C 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9. C 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10. C 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11. C 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15. O 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 16. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 18. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 19. C 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 20. H 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21. H 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 22. H 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 23. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 24. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 25. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 26. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 27. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 28. C 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 29. H 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 30. H 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 31. H 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 32. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 33. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 34. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Resonance RS Weight(%) Added(Removed) --------------------------------------------------------------------------- 1 16.80 2 5.77 ( C 6- C 9), C 9- C 10, ( C 10- O 15), O 15 3 3.19 ( C 6- C 9), C 9- C 10, ( C 10- O 15), C 6 4 3.09 C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 8- C 9, ( C 8- H 17), ( C 9- C 10), C 10- O 15, ( O 15), H 17 5 3.02 C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9 6 2.26 ( C 2- C 3), C 3- C 4, ( C 4- C 5), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 2 7 1.87 C 6- C 7, ( C 6- C 9), ( C 7- C 8), ( C 7- C 8), ( C 9- C 10), C 10- O 15, C 7, C 8, C 9, ( O 15) 8 1.82 C 4- C 5, ( C 4- H 25), ( C 5- H 23), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, H 25 9 1.81 C 6- C 7, ( C 6- C 9), ( C 7- H 18), C 8- C 9, ( C 8- H 17), H 18 10 1.79 C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 10- C 11), C 10- O 15, C 11, ( O 15) 11 1.68 C 6- C 7, C 6- C 7, ( C 6- C 9), ( C 6- C 19), ( C 7- C 8), ( C 7- H 18), C 8- C 9, C 19 12 1.58 C 4- C 5, ( C 4- H 25), ( C 5- H 23), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, H 23 13 1.56 ( C 6- C 9), C 9- C 10, ( C 9- H 16), ( C 10- O 15), C 6, O 15 14 1.48 C 4- C 5, ( C 4- H 26), ( C 5- H 24), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, H 24 15 1.47 C 4- C 5, ( C 4- H 26), ( C 5- H 24), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, H 26 16 1.44 C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 11- H 13), C 11, H 13, ( O 15) 17 1.43 C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 11- H 14), C 11, H 14, ( O 15) 18 1.43 C 3- C 4, ( C 3- H 27), ( C 4- H 26), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, H 27 19 1.43 C 2- C 3, ( C 2- C 28), ( C 3- H 27), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 28 20 1.40 ( C 1- C 2), C 2- C 3, ( C 3- C 4), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 1 21 1.35 ( C 2- C 3), C 2- C 28, C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 28- H 30), C 3 22 1.35 C 1- C 2, ( C 1- H 33), ( C 2- C 3), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 3 23 1.34 ( C 2- C 3), C 2- C 28, C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 28- H 31), C 3 24 1.32 C 6- C 7, ( C 6- C 9), ( C 7- C 8), ( C 7- C 8), C 8- C 9, C 8- C 9, ( C 9- C 10), ( C 9- H 16), C 10- O 15, C 9, ( O 15), H 16 25 1.32 ( C 2- C 3), C 3- C 4, ( C 4- H 25), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 2 26 1.32 C 1- C 2, ( C 1- H 34), ( C 2- C 3), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 3 27 1.30 ( C 1- C 2), C 2- C 3, ( C 3- C 4), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 4 28 1.24 C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 9- C 10, ( C 10- O 15), O 15 29 1.23 30 1.13 C 3- C 4, ( C 3- H 27), ( C 4- H 26), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, H 26 31 1.06 C 1- C 2, ( C 1- H 33), ( C 2- C 3), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, H 33 32 1.04 ( C 5- C 6), C 6- C 7, ( C 6- C 9), C 6- C 19, ( C 7- C 8), C 8- C 9, ( C 19- H 20), C 5 33 1.03 ( C 2- C 3), C 3- C 4, ( C 4- C 5), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 10- C 11), C 10- O 15, C 2, C 11, ( O 15) 34 1.03 C 1- C 2, ( C 1- H 34), ( C 2- C 3), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, H 34 35 1.02 ( C 2- C 3), C 2- C 28, C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 28- H 30), H 30 36 1.00 ( C 2- C 3), C 2- C 28, C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 28- H 31), H 31 37 0.96 ( C 1- C 2), C 2- C 28, C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 28- H 29), H 29 38 0.91 ( C 6- C 9), ( C 6- C 19), ( C 7- C 8), C 8- C 9, C 6, C 7 39 0.86 C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 9- C 11, ( C 9- H 16), ( C 10- C 11), C 10- O 15, ( O 15), H 16 40 0.81 C 1- C 2, ( C 1- H 32), ( C 2- C 28), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, H 32 41 0.77 ( C 5- C 6), C 6- C 7, C 6- C 7, ( C 6- C 9), ( C 7- C 8), ( C 7- C 8), C 8- C 9, ( C 9- C 10), C 10- O 15, C 5, C 9, ( O 15) 42 0.77 ( C 5- C 6), C 6- C 7, C 6- C 7, ( C 6- C 9), ( C 7- C 8), ( C 7- C 8), C 8- C 9, ( C 9- C 10), C 10- O 15, C 8, C 9, ( O 15) 43 0.77 ( C 5- C 6), C 6- C 7, ( C 6- C 9), C 6- C 19, ( C 7- C 8), C 8- C 9, ( C 19- H 20), H 20 44 0.76 C 2- C 3, ( C 2- C 28), ( C 3- H 27), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, H 27 45 0.73 C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 9- C 10, ( C 10- O 15), C 8 46 0.71 ( C 2- C 3), ( C 2- C 28), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 2, C 3 47 0.71 ( C 2- C 3), ( C 2- C 28), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 2, C 28 48 0.70 C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 10- C 11, ( C 10- O 15), ( C 11- H 14), O 15 49 0.69 C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 10- C 11, ( C 10- O 15), ( C 11- H 13), O 15 50 0.68 C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 8- C 9, ( C 8- H 17), ( C 9- C 10), C 10 51 0.68 ( C 3- C 4), C 4- C 5, ( C 5- C 6), ( C 6- C 9), C 6, C 9 52 0.68 ( C 3- C 4), C 4- C 5, ( C 5- C 6), ( C 6- C 9), C 3, C 6 53 0.63 ( C 1- C 2), ( C 2- C 3), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 1, C 2 54 0.60 ( C 2- C 3), ( C 3- C 4), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 3, C 4 55 0.60 ( C 1- C 2), C 2- C 28, C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 28- H 29), C 1 56 0.59 C 4- C 5, ( C 4- H 25), ( C 5- H 23), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 10- C 11), C 10- O 15, C 11, ( O 15), H 25 57 0.58 C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 9- C 10, C 10- C 11, ( C 10- O 15), ( C 10- O 15), ( C 11- H 12), C 8, O 15 58 0.58 C 6- C 7, ( C 6- C 9), ( C 7- H 18), C 8- C 9, ( C 8- H 17), ( C 10- C 11), C 10- O 15, C 11, ( O 15), H 18 59 0.56 ( C 4- C 5), C 5- C 6, ( C 6- C 9), C 4 60 0.48 ( C 2- C 3), C 3- C 4, ( C 4- C 5), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 9- C 10, ( C 10- O 15), C 2, O 15 61 0.48 ( C 5- C 6), C 6- C 7, C 6- C 7, ( C 6- C 9), ( C 7- C 8), ( C 7- C 8), C 9- C 10, ( C 10- O 15), C 8, O 15 62 0.45 C 6- C 7, C 6- C 7, ( C 6- C 9), ( C 6- C 19), ( C 7- C 8), ( C 7- H 18), C 8- C 9, ( C 10- C 11), C 10- O 15, C 11, ( O 15), C 19 63 0.45 ( C 4- C 5), C 5- C 6, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 4 64 0.44 ( C 2- C 3), ( C 3- C 4), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 2, C 3 65 0.43 C 1- C 2, ( C 1- H 32), ( C 2- C 28), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 28 66 0.42 ( C 2- C 3), C 3- C 4, ( C 4- C 5), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 5 67 0.41 C 6- C 7, C 6- C 7, ( C 6- C 9), ( C 6- C 19), ( C 7- C 8), ( C 7- H 18), C 8- C 9, H 18 68 0.37 ( C 6- C 9), ( C 7- C 8), ( C 7- C 8), C 8- C 9, ( C 9- C 10), C 10- O 15, C 7, C 8, C 9, ( O 15) 69 0.35 C 4- C 5, ( C 4- H 25), ( C 5- H 23), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 10- C 11), C 10- O 15, C 11, ( O 15), H 23 70 0.34 ( C 6- C 9), C 6- C 19, ( C 7- C 8), C 8- C 9, ( C 19- H 22), H 22 71 0.30 C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 9- C 10, C 9- C 10, ( C 9- H 16), ( C 10- O 15), ( C 10- O 15), C 8, O 15 72 0.25 ( C 6- C 9), ( C 6- C 19), ( C 7- C 8), C 8- C 9, C 6, C 19 73 0.25 C 4- C 5, ( C 4- H 26), ( C 5- H 24), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 10- C 11), C 10- O 15, C 11, ( O 15), H 24 74 0.24 C 4- C 5, ( C 4- H 26), ( C 5- H 24), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 10- C 11), C 10- O 15, C 11, ( O 15), H 26 75 0.22 ( C 1- C 2), ( C 2- C 3), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 2, C 3 76 0.20 C 3- C 4, ( C 3- H 27), ( C 4- H 26), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 10- C 11), C 10- O 15, C 11, ( O 15), H 27 77 0.20 C 2- C 3, ( C 2- C 28), ( C 3- H 27), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 10- C 11), C 10- O 15, C 11, ( O 15), C 28 78 0.19 C 6- C 7, ( C 6- C 9), ( C 7- H 18), C 8- C 9, ( C 8- H 17), H 17 79 0.17 ( C 1- C 2), C 2- C 3, ( C 3- C 4), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 10- C 11), C 10- O 15, C 1, C 11, ( O 15) 80 0.16 ( C 6- C 9), C 6- C 19, ( C 19- H 21), H 21 81 0.16 C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 8- H 17), ( C 10- O 15), C 10, O 15 82 0.15 C 5- C 6, ( C 5- H 24), C 6- C 7, ( C 6- C 9), ( C 6- C 19), ( C 7- C 8), C 8- C 9, C 19 83 0.14 ( C 2- C 3), C 3- C 4, ( C 4- C 5), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, C 5 84 0.12 ( C 2- C 3), C 2- C 28, C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 10- C 11), C 10- O 15, ( C 28- H 30), C 3, C 11, ( O 15) 85 0.12 C 1- C 2, ( C 1- H 33), ( C 2- C 3), C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 10- C 11), C 10- O 15, C 3, C 11, ( O 15) 86 0.11 ( C 2- C 3), C 2- C 28, C 6- C 7, ( C 6- C 9), ( C 7- C 8), C 8- C 9, ( C 10- C 11), C 10- O 15, ( C 28- H 31), C 3, C 11, ( O 15) others 0.65 --------------------------------------------------------------------------- 100.00 * Total * Natural Bond Order: (total/covalent/ionic) Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C t 0.0281 1.0085 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c --- 0.9646 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i --- 0.0439 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2. C t 1.0085 0.0789 1.8637 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.9646 --- 1.8124 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0439 --- 0.0513 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3. C t 0.0000 1.8637 0.0846 1.0315 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 1.8124 --- 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0513 --- 0.0315 0.0000 0.0000 0.0000 0.0000 0.0000 4. C t 0.0000 0.0000 1.0315 0.0297 1.0386 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 1.0000 --- 1.0281 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0315 --- 0.0105 0.0000 0.0000 0.0000 0.0000 5. C t 0.0000 0.0000 0.0000 1.0386 0.0244 0.9583 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 1.0281 --- 0.9497 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0105 --- 0.0086 0.0000 0.0000 0.0000 6. C t 0.0000 0.0000 0.0000 0.0000 0.9583 0.0727 1.7153 0.0000 0.1803 c 0.0000 0.0000 0.0000 0.0000 0.9497 --- 1.6448 0.0000 0.1414 i 0.0000 0.0000 0.0000 0.0000 0.0086 --- 0.0705 0.0000 0.0389 7. C t 0.0000 0.0000 0.0000 0.0000 0.0000 1.7153 0.0324 1.2739 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 1.6448 --- 1.2215 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0705 --- 0.0524 0.0000 8. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.2739 0.0525 1.6865 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.2215 --- 1.5805 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0524 --- 0.1060 9. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.1803 0.0000 1.6865 0.0579 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.1414 0.0000 1.5805 --- i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0389 0.0000 0.1060 --- 10. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0588 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9709 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0879 11. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0086 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0086 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. 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 16. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9595 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7393 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2202 17. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9349 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7226 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2123 0.0000 18. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9489 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.6916 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2572 0.0000 0.0000 19. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.9859 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.9655 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0204 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 0.9560 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.7231 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.2329 0.0000 0.0000 0.0000 0.0000 24. H t 0.0000 0.0000 0.0000 0.0000 0.9642 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.7254 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.2387 0.0000 0.0000 0.0000 0.0000 25. H t 0.0000 0.0000 0.0000 0.9419 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.7078 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.2342 0.0000 0.0000 0.0000 0.0000 0.0000 26. H t 0.0000 0.0000 0.0000 0.9380 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.7220 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.2160 0.0000 0.0000 0.0000 0.0000 0.0000 27. H t 0.0000 0.0000 0.9485 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.7373 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.2112 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 28. C t 0.0000 1.0146 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.9699 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0447 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 29. 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 30. 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 31. 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 32. H t 0.9875 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.7527 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2349 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 33. H t 0.9746 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.7444 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2303 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 34. H t 0.9757 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.7448 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2309 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. 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 5. 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 6. 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 7. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9489 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.6916 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2572 8. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9349 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7226 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2123 0.0000 9. C t 1.0588 0.0086 0.0000 0.0000 0.0000 0.0000 0.9595 0.0000 0.0000 c 0.9709 0.0001 0.0000 0.0000 0.0000 0.0000 0.7393 0.0000 0.0000 i 0.0879 0.0086 0.0000 0.0000 0.0000 0.0000 0.2202 0.0000 0.0000 10. C t 0.0084 0.9465 0.0000 0.0000 0.0000 1.9862 0.0000 0.0000 0.0000 c --- 0.8995 0.0000 0.0000 0.0000 1.2533 0.0000 0.0000 0.0000 i --- 0.0470 0.0000 0.0000 0.0000 0.7329 0.0000 0.0000 0.0000 11. C t 0.9465 0.0932 0.9942 0.9787 0.9787 0.0000 0.0000 0.0000 0.0000 c 0.8995 --- 0.7405 0.7424 0.7423 0.0000 0.0000 0.0000 0.0000 i 0.0470 --- 0.2537 0.2363 0.2364 0.0000 0.0000 0.0000 0.0000 12. H t 0.0000 0.9942 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.7405 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.2537 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. H t 0.0000 0.9787 0.0000 0.0144 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.7424 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.2363 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 14. H t 0.0000 0.9787 0.0000 0.0000 0.0143 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.7423 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.2364 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 15. O t 1.9862 0.0000 0.0000 0.0000 0.0000 1.9370 0.0000 0.0000 0.0000 c 1.2533 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 i 0.7329 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 16. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0219 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 17. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0328 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 18. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0279 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 --- 19. 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 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 28. 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 29. 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 30. 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 31. 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 32. 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 33. 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 34. 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 0.0000 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 0.9485 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7373 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2112 4. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9419 0.9380 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7078 0.7220 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2342 0.2160 0.0000 5. C t 0.0000 0.0000 0.0000 0.0000 0.9560 0.9642 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.7231 0.7254 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.2329 0.2387 0.0000 0.0000 0.0000 6. C t 0.9859 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.9655 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0204 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 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 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. 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 16. 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 17. 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 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. C t 0.0253 0.9820 0.9971 0.9966 0.0000 0.0000 0.0000 0.0000 0.0000 c --- 0.7484 0.7546 0.7525 0.0000 0.0000 0.0000 0.0000 0.0000 i --- 0.2336 0.2425 0.2440 0.0000 0.0000 0.0000 0.0000 0.0000 20. H t 0.9820 0.0077 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.7484 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2336 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. H t 0.9971 0.0000 0.0029 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.7546 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2425 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22. H t 0.9966 0.0000 0.0000 0.0034 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.7525 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2440 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 0.0194 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 0.0172 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 0.0246 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 0.0284 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 0.0239 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 --- 28. 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 29. 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 30. 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 31. 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 32. 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 33. 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 34. 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 28 29 30 31 32 33 34 ---- ------ ------ ------ ------ ------ ------ ------ 1. C t 0.0000 0.0000 0.0000 0.0000 0.9875 0.9746 0.9757 c 0.0000 0.0000 0.0000 0.0000 0.7527 0.7444 0.7448 i 0.0000 0.0000 0.0000 0.0000 0.2349 0.2303 0.2309 2. C t 1.0146 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.9699 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0447 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 c 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 4. C t 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 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5. C t 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 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6. C t 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 i 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 c 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 8. C t 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 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 9. C t 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 i 0.0000 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 c 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 11. C t 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 i 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 c 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 13. H t 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 i 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 c 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 15. O t 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 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 16. H t 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 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. H t 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 i 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 c 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 19. C t 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 i 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 c 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 21. H t 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 i 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 c 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 23. H t 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 i 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 c 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 25. H t 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 i 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 c 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 27. H t 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 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 28. C t 0.0276 0.9844 0.9751 0.9754 0.0000 0.0000 0.0000 c --- 0.7538 0.7414 0.7425 0.0000 0.0000 0.0000 i --- 0.2305 0.2337 0.2329 0.0000 0.0000 0.0000 29. H t 0.9844 0.0096 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.7538 --- 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2305 --- 0.0000 0.0000 0.0000 0.0000 0.0000 30. H t 0.9751 0.0000 0.0102 0.0000 0.0000 0.0000 0.0000 c 0.7414 0.0000 --- 0.0000 0.0000 0.0000 0.0000 i 0.2337 0.0000 --- 0.0000 0.0000 0.0000 0.0000 31. H t 0.9754 0.0000 0.0000 0.0100 0.0000 0.0000 0.0000 c 0.7425 0.0000 0.0000 --- 0.0000 0.0000 0.0000 i 0.2329 0.0000 0.0000 --- 0.0000 0.0000 0.0000 32. H t 0.0000 0.0000 0.0000 0.0000 0.0081 0.0000 0.0000 c 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 33. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0106 0.0000 c 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 34. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0103 c 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 --- Natural Atomic Valencies and Electron Counts: Co- Electro- Electron Atom Valency Valency Valency Count ---- ------- ------- ------- ------- 1. C 3.9464 3.2064 0.7400 7.9489 2. C 3.8868 3.7469 0.1399 7.9314 3. C 3.8437 3.5497 0.2940 7.8566 4. C 3.9501 3.4578 0.4922 7.9596 5. C 3.9171 3.4263 0.4908 7.8831 6. C 3.8398 3.7014 0.1384 7.8250 7. C 3.9381 3.5580 0.3801 7.9411 8. C 3.8953 3.5247 0.3706 7.8956 9. C 3.8938 3.4322 0.4616 7.9033 10. C 3.9916 3.1238 0.8678 8.0000 11. C 3.9068 3.1248 0.7820 8.0000 12. H 0.9942 0.7405 0.2537 1.9884 13. H 0.9787 0.7424 0.2363 1.9863 14. H 0.9787 0.7423 0.2364 1.9860 15. O 1.9862 1.2533 0.7329 7.8465 16. H 0.9595 0.7393 0.2202 1.9627 17. H 0.9349 0.7226 0.2123 1.9354 18. H 0.9489 0.6916 0.2572 1.9536 19. C 3.9615 3.2210 0.7406 7.9736 20. H 0.9820 0.7484 0.2336 1.9793 21. H 0.9971 0.7546 0.2425 2.0000 22. H 0.9966 0.7525 0.2440 2.0000 23. H 0.9560 0.7231 0.2329 1.9509 24. H 0.9642 0.7254 0.2387 1.9628 25. H 0.9419 0.7078 0.2342 1.9330 26. H 0.9380 0.7220 0.2160 1.9329 27. H 0.9485 0.7373 0.2112 1.9449 28. C 3.9495 3.2076 0.7419 7.9542 29. H 0.9844 0.7538 0.2305 1.9880 30. H 0.9751 0.7414 0.2337 1.9706 31. H 0.9754 0.7425 0.2329 1.9708 32. H 0.9875 0.7527 0.2349 1.9914 33. H 0.9746 0.7444 0.2303 1.9706 34. H 0.9757 0.7448 0.2309 1.9719 $NRTSTR STR ! Wgt=16.80%; rhoNL=2.10482; D(0)=0.09178 LONE 15 2 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 S 6 7 S 6 9 S 6 19 D 7 8 S 7 18 S 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=5.77%; rhoNL=2.71702; D(0)=0.10427 LONE 15 3 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 S 6 7 S 6 19 D 7 8 S 7 18 S 8 9 S 8 17 D 9 10 S 9 16 S 10 11 S 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=3.19%; rhoNL=3.17692; D(0)=0.11275 LONE 6 1 15 2 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 S 6 7 S 6 19 D 7 8 S 7 18 S 8 9 S 8 17 D 9 10 S 9 16 S 10 11 S 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=3.09%; rhoNL=3.09533; D(0)=0.11129 LONE 15 1 17 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 T 8 9 S 9 16 S 10 11 T 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=3.02%; rhoNL=1.17023; D(0)=0.06845 LONE 15 2 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=2.26%; rhoNL=2.92971; D(0)=0.10827 LONE 2 1 15 2 END BOND S 1 2 S 1 32 S 1 33 S 1 34 S 2 3 S 2 28 D 3 4 S 3 27 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.87%; rhoNL=3.97589; D(0)=0.12613 LONE 7 1 8 1 9 1 15 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 18 S 8 9 S 8 17 S 9 16 S 10 11 T 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.82%; rhoNL=3.03109; D(0)=0.11013 LONE 15 2 25 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 D 4 5 S 4 26 S 5 6 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.81%; rhoNL=3.05429; D(0)=0.11055 LONE 15 2 18 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 D 7 8 D 8 9 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.79%; rhoNL=2.08996; D(0)=0.09145 LONE 11 1 15 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 T 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.68%; rhoNL=2.83235; D(0)=0.10646 LONE 15 2 19 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 T 6 7 S 7 8 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.58%; rhoNL=3.02609; D(0)=0.11004 LONE 15 2 23 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 D 4 5 S 4 26 S 5 6 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.56%; rhoNL=3.77755; D(0)=0.12294 LONE 6 1 15 3 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 S 6 7 S 6 19 D 7 8 S 7 18 S 8 9 S 8 17 D 9 10 S 10 11 S 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.48%; rhoNL=3.05015; D(0)=0.11047 LONE 15 2 24 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 D 4 5 S 4 25 S 5 6 S 5 23 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.47%; rhoNL=3.03122; D(0)=0.11013 LONE 15 2 26 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 D 4 5 S 4 25 S 5 6 S 5 23 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.44%; rhoNL=3.05551; D(0)=0.11057 LONE 11 1 13 1 15 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.43%; rhoNL=3.05553; D(0)=0.11057 LONE 11 1 14 1 15 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.43%; rhoNL=3.03198; D(0)=0.11014 LONE 15 2 27 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 D 3 4 S 4 5 S 4 25 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.43%; rhoNL=2.86682; D(0)=0.10710 LONE 15 2 28 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 T 2 3 S 3 4 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.40%; rhoNL=3.05130; D(0)=0.11050 LONE 1 1 15 2 END BOND S 1 32 S 1 33 S 1 34 T 2 3 S 2 28 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.35%; rhoNL=2.75657; D(0)=0.10503 LONE 3 1 15 2 END BOND S 1 2 S 1 32 S 1 33 S 1 34 S 2 3 D 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 31 END END STR ! Wgt=1.35%; rhoNL=2.75918; D(0)=0.10507 LONE 3 1 15 2 END BOND D 1 2 S 1 32 S 1 34 S 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.34%; rhoNL=2.75773; D(0)=0.10505 LONE 3 1 15 2 END BOND S 1 2 S 1 32 S 1 33 S 1 34 S 2 3 D 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 END END STR ! Wgt=1.32%; rhoNL=4.03817; D(0)=0.12711 LONE 9 1 15 1 16 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 18 T 8 9 S 8 17 S 10 11 T 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.32%; rhoNL=2.78878; D(0)=0.10564 LONE 2 1 15 2 END BOND S 1 2 S 1 32 S 1 33 S 1 34 S 2 3 S 2 28 D 3 4 S 3 27 S 4 5 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.32%; rhoNL=2.76006; D(0)=0.10509 LONE 3 1 15 2 END BOND D 1 2 S 1 32 S 1 33 S 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.30%; rhoNL=3.03543; D(0)=0.11021 LONE 4 1 15 2 END BOND S 1 32 S 1 33 S 1 34 T 2 3 S 2 28 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.24%; rhoNL=2.28222; D(0)=0.09557 LONE 15 3 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 S 8 9 S 8 17 D 9 10 S 9 16 S 10 11 S 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.23%; rhoNL=3.04933; D(0)=0.11046 LONE 15 2 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 S 6 7 S 6 9 S 6 19 D 7 8 S 7 18 S 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.13%; rhoNL=3.03833; D(0)=0.11026 LONE 15 2 26 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 D 3 4 S 4 5 S 4 25 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.06%; rhoNL=3.02927; D(0)=0.11010 LONE 15 2 33 1 END BOND D 1 2 S 1 32 S 1 34 S 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.04%; rhoNL=2.88170; D(0)=0.10738 LONE 5 1 15 2 END BOND S 1 2 S 1 32 S 1 33 S 1 34 D 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 23 S 5 24 D 6 7 D 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.03%; rhoNL=3.84944; D(0)=0.12410 LONE 2 1 11 1 15 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 S 2 3 S 2 28 D 3 4 S 3 27 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 T 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.03%; rhoNL=3.03050; D(0)=0.11012 LONE 15 2 34 1 END BOND D 1 2 S 1 32 S 1 33 S 2 3 S 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 S 28 31 END END STR ! Wgt=1.02%; rhoNL=3.03055; D(0)=0.11012 LONE 15 2 30 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 S 2 3 D 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 31 END END STR ! Wgt=1.00%; rhoNL=3.03101; D(0)=0.11013 LONE 15 2 31 1 END BOND S 1 2 S 1 32 S 1 33 S 1 34 S 2 3 D 2 28 S 3 4 S 3 27 S 4 5 S 4 25 S 4 26 S 5 6 S 5 23 S 5 24 D 6 7 S 6 19 S 7 8 S 7 18 D 8 9 S 8 17 S 9 10 S 9 16 S 10 11 D 10 15 S 11 12 S 11 13 S 11 14 S 19 20 S 19 21 S 19 22 S 28 29 S 28 30 END END $END NBO analysis completed in 343.45 CPU seconds (346 wall seconds) Maximum scratch memory used by NBO was 71741892 words (547.35 MB) Maximum scratch memory used by G16NBO was 104189 words (0.79 MB) Opening RunExU unformatted file "/scratch/webmo-13362/513796/Gau-19208.EUF" Read unf file /scratch/webmo-13362/513796/Gau-19208.EUF: Label Gaussian matrix elements IVers= 2 NLab= 2 Version=ES64L-G16RevC.01 Title t-c pseudoionone C13H20O NAtoms= 34 NBasis= 250 NBsUse= 250 ICharg= 0 Multip= 1 NE= 106 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= 34 LenBuf= 4000 NRI=1 N= 34 Recovered energy= -582.617219124 dipole= -0.281661278857 1.073548119384 -0.171914339534 Unable to Open any file for archive entry. 1\1\GINC-COMPUTE-0-7\SP\RB3LYP\6-31G(d)\C13H20O1\ZDANOVSKAIA\23-Aug-20 20\0\\#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivi ty\\t-c pseudoionone C13H20O\\0,1\C\C,1,1.510882649\C,2,1.342235177,1, 120.6552379\C,3,1.504976683,2,128.7544662,1,-179.6067636,0\C,4,1.55422 6069,3,111.8679854,2,115.8550557,0\C,5,1.512642665,4,113.6716351,3,176 .08859,0\C,6,1.356886639,5,119.3740903,4,-106.2263328,0\C,7,1.44581449 7,6,125.9265866,5,178.8941138,0\C,8,1.358973666,7,127.2496572,6,-179.6 276475,0\C,9,1.478740929,8,127.0695367,7,0.07091483,0\C,10,1.523709177 ,9,115.4126891,8,-179.8821908,0\H,11,1.091562391,10,109.6087464,9,-179 .9781196,0\H,11,1.097581754,10,110.6350577,9,-59.12281571,0\H,11,1.097 584051,10,110.627065,9,59.17758624,0\O,10,1.226997362,9,124.1552058,8, 0.10586485,0\H,9,1.088396485,8,117.5752661,7,-179.9383706,0\H,8,1.0888 726,7,117.0071167,6,0.35866163,0\H,7,1.084828522,6,118.6174093,5,-1.07 552029,0\C,6,1.507425767,5,115.4354691,4,73.35258223,0\H,19,1.09166919 9,6,113.7829764,5,178.8843768,0\H,19,1.097933206,6,110.9259775,5,-59.6 9570815,0\H,19,1.098595988,6,110.1116921,5,57.71398066,0\H,5,1.0994284 23,4,108.1100168,3,-61.7097204,0\H,5,1.096138544,4,108.6067609,3,53.91 710986,0\H,4,1.099427585,3,109.3205048,2,-124.7423183,0\H,4,1.09451564 6,3,111.2829576,2,-7.40963256,0\H,3,1.091862814,2,117.1456954,1,-0.532 92912,0\C,2,1.509582528,1,114.2965422,3,179.7699344,0\H,28,1.092470344 ,2,113.4837789,1,179.3175587,0\H,28,1.099011648,2,110.6551278,1,-59.41 337532,0\H,28,1.09896107,2,110.5652912,1,58.08460219,0\H,1,1.094472196 ,2,111.9443927,3,0.15663212,0\H,1,1.099295985,2,111.1178153,3,121.0629 672,0\H,1,1.099280899,2,111.123312,3,-120.7215689,0\\Version=ES64L-G16 RevC.01\State=1-A\HF=-582.6172191\RMSD=3.362e-09\Dipole=-0.9315596,-0. 0886055,0.6210789\Quadrupole=-1.6460476,-3.8125889,5.4586365,0.6105183 ,5.2685357,-0.4552223\PG=C01 [X(C13H20O1)]\\@ The archive entry for this job was punched. ... IT IS NO ONE DREAME THAT CAN PLEASE THESE ALL ... -- BEN JONSON Job cpu time: 0 days 1 hours 9 minutes 34.9 seconds. Elapsed time: 0 days 0 hours 6 minutes 17.1 seconds. File lengths (MBytes): RWF= 39 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 16 at Sun Aug 23 17:06:31 2020.