Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16 Initial command: /share/apps/gaussian/g16/l1.exe "/scratch/webmo-5066/610682/Gau-727.inp" -scrdir="/scratch/webmo-5066/610682/" Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID= 728. Copyright (c) 1988-2017, 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 B.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, 2016. ****************************************** Gaussian 16: ES64L-G16RevB.01 20-Dec-2017 12-Apr-2019 ****************************************** ----------------------------------------------------------------- #N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity ----------------------------------------------------------------- 1/38=1,57=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=2/1,7; 99/5=1,9=1/99; -------- C11H12O3 -------- 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 2 B6 3 A5 4 D4 0 C 7 B7 2 A6 3 D5 0 C 4 B8 3 A7 2 D6 0 H 9 B9 4 A8 3 D7 0 H 9 B10 4 A9 3 D8 0 H 8 B11 9 A10 4 D9 0 H 8 B12 9 A11 4 D10 0 H 7 B13 2 A12 3 D11 0 C 6 B14 7 A13 2 D12 0 O 15 B15 6 A14 7 D13 0 C 5 B16 4 A15 3 D14 0 O 17 B17 5 A16 4 D15 0 O 15 B18 6 A17 7 D16 0 H 6 B19 7 A18 2 D17 0 H 5 B20 4 A19 3 D18 0 H 4 B21 3 A20 2 D19 0 H 3 B22 2 A21 1 D20 0 H 1 B23 2 A22 3 D21 0 H 1 B24 2 A23 3 D22 0 H 1 B25 2 A24 3 D23 0 Variables: B1 1.50071 B2 1.34023 B3 1.50944 B4 1.54022 B5 1.53636 B6 1.51137 B7 1.54215 B8 1.54186 B9 1.11603 B10 1.11649 B11 1.11655 B12 1.116 B13 1.11648 B14 1.514 B15 1.36256 B16 1.514 B17 1.2119 B18 1.21184 B19 1.11676 B20 1.11678 B21 1.11677 B22 1.10217 B23 1.11339 B24 1.11337 B25 1.11348 A1 125.13578 A2 115.00759 A3 106.97327 A4 110.14281 A5 114.27611 A6 106.78053 A7 106.67167 A8 109.80795 A9 109.44198 A10 110.25735 A11 110.63161 A12 111.80464 A13 113.28962 A14 108.85405 A15 113.38099 A16 126.10771 A17 126.1222 A18 110.57295 A19 110.59329 A20 111.57877 A21 123.54916 A22 110.04189 A23 109.96129 A24 111.93064 D1 -179.8475 D2 57.37817 D3 -54.67294 D4 0.13708 D5 57.8699 D6 -58.02725 D7 176.8457 D8 -66.34634 D9 -120.59705 D10 121.64421 D11 -179.99846 D12 -61.22116 D13 127.63851 D14 61.28692 D15 51.52215 D16 -51.48226 D17 178.3957 D18 -178.23082 D19 179.80161 D20 -0.0463 D21 120.00813 D22 -120.36273 D23 -0.18111 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 1.500715 3 6 0 1.096028 0.000000 2.272039 4 6 0 0.830594 -0.003641 3.757952 5 6 0 -0.028350 -1.246357 4.058220 6 6 0 -1.288695 -1.243237 3.179627 7 6 0 -1.301061 -0.000371 2.269796 8 6 0 -1.284941 1.249779 3.172617 9 6 0 -0.019039 1.247384 4.058586 10 1 0 -0.295079 1.266198 5.139780 11 1 0 0.588558 2.164185 3.866620 12 1 0 -1.309284 2.166497 2.535661 13 1 0 -2.205802 1.273078 3.802638 14 1 0 -2.185547 -0.000386 1.588471 15 6 0 -1.202670 -2.545741 2.412625 16 8 0 -0.170717 -3.282843 2.910934 17 6 0 0.657236 -2.549743 3.707003 18 8 0 1.766493 -2.890122 4.056847 19 8 0 -1.917052 -2.881950 1.493293 20 1 0 -2.216808 -1.285199 3.799302 21 1 0 -0.288453 -1.291230 5.143363 22 1 0 1.780686 -0.007059 4.344892 23 1 0 2.122810 -0.000742 1.871404 24 1 0 -0.523111 -0.905758 -0.381566 25 1 0 -0.528970 0.902953 -0.380089 26 1 0 1.032904 0.003265 -0.415868 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.500715 0.000000 3 C 2.522586 1.340231 0.000000 4 C 3.848650 2.405207 1.509438 0.000000 5 C 4.245393 2.845179 2.451137 1.540224 0.000000 6 C 3.649165 2.454612 2.838355 2.522389 1.536361 7 C 2.616244 1.511372 2.397090 2.599726 2.524032 8 C 3.643971 2.451179 2.835842 2.527680 2.931554 9 C 4.245992 2.845880 2.447671 1.541857 2.493759 10 H 5.301667 3.864340 3.429632 2.188397 2.748427 11 H 4.469995 3.260001 2.735674 2.184001 3.471180 12 H 3.582948 2.734785 3.247882 3.283683 3.950513 13 H 4.576718 3.432950 3.855586 3.294194 3.339787 14 H 2.701825 2.187308 3.352015 3.715342 3.507934 15 C 3.707826 2.959525 3.432867 3.522263 2.403208 16 O 4.390870 3.576999 3.576295 3.531746 2.341753 17 C 4.546979 3.435238 2.958521 2.552505 1.514000 18 O 5.285009 4.243480 3.462350 3.049102 2.433810 19 O 3.769701 3.461326 4.241548 4.578526 3.580671 20 H 4.582649 3.442308 3.867707 3.306171 2.204064 21 H 5.310806 3.875482 3.439267 2.197616 1.116782 22 H 4.695634 3.355628 2.183008 1.116774 2.211482 23 H 2.829924 2.154932 1.102175 2.286677 3.310772 24 H 1.113389 2.153375 3.237844 4.447690 4.480234 25 H 1.113374 2.152338 3.238785 4.449013 4.956687 26 H 1.113484 2.177198 2.688651 4.178726 4.765006 6 7 8 9 10 6 C 0.000000 7 C 1.540345 0.000000 8 C 2.493029 1.542149 0.000000 9 C 2.930493 2.529870 1.545138 0.000000 10 H 3.335677 3.294391 2.202232 1.116034 0.000000 11 H 3.950515 3.287220 2.197220 1.116490 1.791126 12 H 3.470073 2.183133 1.116547 2.197453 2.936084 13 H 2.749741 2.188570 1.116000 2.201840 2.332137 14 H 2.209253 1.116476 2.209870 3.514563 4.217808 15 C 1.514004 2.551272 3.871735 4.300926 4.774094 16 O 2.341380 3.530348 4.674894 4.675796 5.067248 17 C 2.402443 3.521334 4.300464 3.872871 4.185828 18 O 3.579933 4.577566 5.218419 4.506339 4.764223 19 O 2.433913 3.047277 4.504540 5.218676 5.756283 20 H 1.116760 2.197446 2.772585 3.363242 3.464037 21 H 2.204324 3.308939 3.366534 2.773785 2.557439 22 H 3.508145 3.715271 3.514533 2.212377 2.561607 23 H 3.859224 3.446971 3.856128 3.305919 4.258357 24 H 3.658157 2.907688 4.225985 4.960349 5.937564 25 H 4.225505 2.904136 3.648768 4.481127 5.536751 26 H 4.457710 3.558117 4.450104 4.761844 5.850108 11 12 13 14 15 11 H 0.000000 12 H 2.318030 0.000000 13 H 2.933704 1.790858 0.000000 14 H 4.191777 2.521981 2.554341 0.000000 15 C 5.244617 4.715049 4.185904 2.850282 0.000000 16 O 5.582110 5.579648 5.068839 4.072219 1.362556 17 C 4.717130 5.242343 4.777039 4.366786 2.265984 18 O 5.193240 6.110959 5.759861 5.482890 3.411451 19 O 6.113448 5.190639 4.762427 2.895611 1.211837 20 H 4.446669 3.786106 2.558304 2.557244 2.130801 21 H 3.786703 4.449503 3.471232 4.231134 3.141101 22 H 2.522740 4.188745 4.221953 4.830001 4.367949 23 H 3.319899 4.113081 4.908072 4.317637 4.222411 24 H 5.357933 4.308948 5.008627 2.732113 3.310415 25 H 4.568820 3.272161 4.521501 2.726811 4.488498 26 H 4.817336 4.344761 5.467855 3.791545 4.415381 16 17 18 19 20 16 O 0.000000 17 C 1.362597 0.000000 18 O 2.284761 1.211900 0.000000 19 O 2.284755 3.411427 4.487804 0.000000 20 H 2.994373 3.141293 4.302186 2.820841 0.000000 21 H 2.994014 2.131035 2.821308 4.301828 2.350551 22 H 4.073693 2.852066 2.897452 5.483601 4.232172 23 H 4.136795 3.466228 3.640281 4.976425 4.919238 24 H 4.076183 4.562051 5.373966 3.059984 4.526836 25 H 5.336672 5.480193 6.272398 4.445427 5.010401 26 H 4.828542 4.863851 5.377270 4.546603 5.476169 21 22 23 24 25 21 H 0.000000 22 H 2.562809 0.000000 23 H 4.264418 2.497045 0.000000 24 H 5.543329 5.334281 3.591075 0.000000 25 H 5.948177 5.337423 3.594137 1.808721 0.000000 26 H 5.858903 4.819142 2.533678 1.802410 1.802822 26 26 H 0.000000 Stoichiometry C11H12O3 Framework group C1[X(C11H12O3)] Deg. of freedom 72 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 -1.426771 1.960481 1.639905 2 6 0 -1.152467 0.720207 0.840767 3 6 0 -0.895943 -0.489421 1.357697 4 6 0 -0.648766 -1.578130 0.341812 5 6 0 0.530308 -1.115878 -0.534772 6 6 0 0.233805 0.267523 -1.133682 7 6 0 -1.148684 0.763869 -0.669969 8 6 0 -2.203968 -0.254270 -1.147453 9 6 0 -1.906240 -1.646820 -0.547774 10 1 0 -1.756106 -2.400245 -1.357307 11 1 0 -2.773437 -1.998652 0.061106 12 1 0 -3.219037 0.091574 -0.836480 13 1 0 -2.208660 -0.299147 -2.262540 14 1 0 -1.366443 1.788686 -1.055777 15 6 0 1.375857 1.131128 -0.641633 16 8 0 2.296231 0.335996 -0.027439 17 6 0 1.812424 -0.908706 0.243336 18 8 0 2.326020 -1.705138 0.998727 19 8 0 1.461151 2.334731 -0.753939 20 1 0 0.290249 0.248741 -2.248856 21 1 0 0.745096 -1.867457 -1.332391 22 1 0 -0.437987 -2.558467 0.833437 23 1 0 -0.860206 -0.694169 2.440097 24 1 0 -0.666294 2.739879 1.407851 25 1 0 -2.434631 2.360369 1.387101 26 1 0 -1.397091 1.764281 2.735565 --------------------------------------------------------------------- Rotational constants (GHZ): 0.9820193 0.7745682 0.6135784 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 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 11 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 12 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 13 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 14 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 15 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 16 0 S 6 1.00 0.000000000000 0.5484671660D+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 **** 17 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 18 0 S 6 1.00 0.000000000000 0.5484671660D+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 **** 19 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 **** 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 **** There are 234 symmetry adapted cartesian basis functions of A symmetry. There are 234 symmetry adapted basis functions of A symmetry. 234 basis functions, 440 primitive gaussians, 234 cartesian basis functions 51 alpha electrons 51 beta electrons nuclear repulsion energy 950.1035808911 Hartrees. NAtoms= 26 NActive= 26 NUniq= 26 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= 234 RedAO= T EigKep= 8.16D-04 NBF= 234 NBsUse= 234 1.00D-06 EigRej= -1.00D+00 NBFU= 234 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) = -652.071200992 A.U. after 14 cycles NFock= 14 Conv=0.69D-08 -V/T= 2.0094 ********************************************************************** 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.23119 -19.16188 -19.15977 -10.33998 -10.33833 Alpha occ. eigenvalues -- -10.22619 -10.22470 -10.21550 -10.21404 -10.20429 Alpha occ. eigenvalues -- -10.20264 -10.20013 -10.19363 -10.18855 -1.15546 Alpha occ. eigenvalues -- -1.06600 -1.03621 -0.89778 -0.80106 -0.78377 Alpha occ. eigenvalues -- -0.76849 -0.70678 -0.69268 -0.64158 -0.62889 Alpha occ. eigenvalues -- -0.58754 -0.57212 -0.53457 -0.50792 -0.49497 Alpha occ. eigenvalues -- -0.48229 -0.46326 -0.46165 -0.44984 -0.43276 Alpha occ. eigenvalues -- -0.42763 -0.42100 -0.41550 -0.41079 -0.40479 Alpha occ. eigenvalues -- -0.39527 -0.37488 -0.36836 -0.36486 -0.33986 Alpha occ. eigenvalues -- -0.33294 -0.32789 -0.30869 -0.29802 -0.27758 Alpha occ. eigenvalues -- -0.25085 Alpha virt. eigenvalues -- -0.03108 -0.00852 0.01015 0.06143 0.08955 Alpha virt. eigenvalues -- 0.10865 0.11171 0.11870 0.13265 0.14364 Alpha virt. eigenvalues -- 0.15036 0.15381 0.15976 0.16434 0.16659 Alpha virt. eigenvalues -- 0.18404 0.19584 0.20280 0.21106 0.21601 Alpha virt. eigenvalues -- 0.22724 0.24535 0.24966 0.27837 0.29696 Alpha virt. eigenvalues -- 0.32685 0.33648 0.35803 0.39058 0.41373 Alpha virt. eigenvalues -- 0.42392 0.44556 0.48679 0.49434 0.51728 Alpha virt. eigenvalues -- 0.52670 0.54650 0.55563 0.57603 0.57954 Alpha virt. eigenvalues -- 0.59131 0.60011 0.60956 0.61972 0.63455 Alpha virt. eigenvalues -- 0.64456 0.64751 0.65999 0.67971 0.68623 Alpha virt. eigenvalues -- 0.70781 0.71721 0.72685 0.73365 0.76150 Alpha virt. eigenvalues -- 0.77627 0.79469 0.80012 0.81252 0.81886 Alpha virt. eigenvalues -- 0.82609 0.83522 0.83870 0.84838 0.86064 Alpha virt. eigenvalues -- 0.86559 0.87673 0.88565 0.89329 0.90467 Alpha virt. eigenvalues -- 0.91146 0.92739 0.93221 0.94335 0.96609 Alpha virt. eigenvalues -- 0.97468 0.98379 0.99516 1.02084 1.05935 Alpha virt. eigenvalues -- 1.06484 1.09323 1.10742 1.16769 1.19683 Alpha virt. eigenvalues -- 1.20337 1.21748 1.25334 1.25569 1.31324 Alpha virt. eigenvalues -- 1.33757 1.38441 1.38742 1.41800 1.48032 Alpha virt. eigenvalues -- 1.48867 1.55682 1.56055 1.60460 1.62706 Alpha virt. eigenvalues -- 1.63340 1.66681 1.69262 1.69383 1.71471 Alpha virt. eigenvalues -- 1.71924 1.74025 1.74800 1.75839 1.77680 Alpha virt. eigenvalues -- 1.77952 1.78895 1.80143 1.82551 1.84096 Alpha virt. eigenvalues -- 1.85316 1.87111 1.90263 1.90663 1.92779 Alpha virt. eigenvalues -- 1.95056 1.96780 1.97778 1.98788 2.00372 Alpha virt. eigenvalues -- 2.01138 2.02012 2.03625 2.05986 2.09223 Alpha virt. eigenvalues -- 2.11589 2.12297 2.13405 2.18786 2.20306 Alpha virt. eigenvalues -- 2.24157 2.25920 2.28329 2.30200 2.32857 Alpha virt. eigenvalues -- 2.35869 2.38025 2.39625 2.41595 2.43332 Alpha virt. eigenvalues -- 2.46840 2.47507 2.48274 2.53811 2.54245 Alpha virt. eigenvalues -- 2.55805 2.62069 2.65857 2.66558 2.67346 Alpha virt. eigenvalues -- 2.68975 2.70801 2.74133 2.75048 2.80198 Alpha virt. eigenvalues -- 2.82421 2.84652 2.88040 2.93915 2.96613 Alpha virt. eigenvalues -- 2.97568 3.02152 3.14314 3.23075 3.99957 Alpha virt. eigenvalues -- 4.08315 4.15162 4.20083 4.24156 4.34504 Alpha virt. eigenvalues -- 4.44463 4.45145 4.49918 4.55243 4.57640 Alpha virt. eigenvalues -- 4.66191 4.86178 4.97401 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.23119 -19.16188 -19.15977 -10.33998 -10.33833 1 1 C 1S 0.00000 -0.00001 -0.00000 0.00002 0.00001 2 2S -0.00000 -0.00001 -0.00000 0.00008 0.00003 3 2PX 0.00000 -0.00003 0.00000 0.00000 0.00001 4 2PY 0.00001 0.00000 -0.00001 0.00002 0.00002 5 2PZ 0.00001 0.00001 -0.00001 0.00001 0.00000 6 3S -0.00007 -0.00001 0.00009 -0.00045 -0.00055 7 3PX -0.00004 0.00005 0.00003 -0.00027 -0.00006 8 3PY -0.00003 0.00010 0.00000 -0.00001 0.00004 9 3PZ 0.00002 0.00003 0.00001 0.00011 0.00017 10 4XX -0.00001 -0.00002 0.00000 0.00001 0.00001 11 4YY 0.00001 -0.00002 0.00000 0.00004 0.00002 12 4ZZ -0.00000 -0.00002 -0.00000 0.00002 0.00000 13 4XY 0.00000 0.00001 -0.00000 0.00002 -0.00001 14 4XZ 0.00001 -0.00000 -0.00000 0.00004 -0.00001 15 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 16 2 C 1S -0.00002 -0.00001 0.00000 -0.00013 0.00004 17 2S -0.00006 -0.00002 0.00000 -0.00034 0.00017 18 2PX -0.00002 -0.00002 0.00001 -0.00019 -0.00001 19 2PY 0.00001 -0.00002 0.00000 -0.00004 -0.00001 20 2PZ 0.00000 0.00000 0.00001 0.00008 -0.00005 21 3S 0.00038 -0.00017 0.00001 0.00262 -0.00199 22 3PX 0.00008 0.00006 -0.00007 0.00075 -0.00044 23 3PY 0.00009 0.00023 -0.00007 -0.00052 0.00124 24 3PZ -0.00022 0.00023 -0.00011 -0.00047 0.00040 25 4XX -0.00004 -0.00001 0.00001 -0.00018 0.00004 26 4YY -0.00003 -0.00003 0.00001 -0.00015 0.00003 27 4ZZ -0.00002 -0.00003 0.00000 -0.00013 0.00003 28 4XY -0.00000 0.00001 0.00000 -0.00003 0.00004 29 4XZ -0.00001 -0.00001 -0.00000 0.00002 -0.00001 30 4YZ -0.00001 0.00000 -0.00000 0.00001 -0.00001 31 3 C 1S -0.00002 0.00000 -0.00001 0.00004 -0.00012 32 2S -0.00007 -0.00000 -0.00002 0.00016 -0.00034 33 2PX -0.00001 0.00001 -0.00002 -0.00000 -0.00016 34 2PY -0.00001 0.00001 0.00001 -0.00004 0.00002 35 2PZ 0.00001 0.00001 -0.00000 -0.00003 0.00007 36 3S 0.00050 0.00008 -0.00013 -0.00171 0.00279 37 3PX 0.00007 -0.00006 0.00011 -0.00017 0.00030 38 3PY -0.00007 -0.00001 0.00009 -0.00035 0.00048 39 3PZ -0.00015 -0.00016 0.00021 0.00084 -0.00128 40 4XX -0.00004 0.00001 -0.00001 0.00006 -0.00020 41 4YY -0.00002 0.00001 -0.00003 0.00002 -0.00012 42 4ZZ -0.00003 0.00000 -0.00002 0.00002 -0.00013 43 4XY -0.00002 -0.00001 -0.00001 -0.00004 0.00002 44 4XZ -0.00001 0.00000 -0.00001 0.00003 -0.00002 45 4YZ 0.00000 -0.00001 -0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00000 -0.00001 0.00002 -0.00005 47 2S 0.00002 -0.00001 -0.00007 0.00003 -0.00010 48 2PX 0.00004 -0.00000 0.00003 0.00001 -0.00011 49 2PY 0.00001 -0.00001 -0.00001 0.00005 -0.00009 50 2PZ 0.00001 0.00001 -0.00002 0.00001 -0.00008 51 3S 0.00012 0.00002 0.00009 0.00017 -0.00060 52 3PX -0.00010 0.00005 -0.00014 -0.00001 0.00084 53 3PY -0.00027 -0.00002 0.00029 0.00047 -0.00047 54 3PZ -0.00034 -0.00000 0.00025 0.00017 0.00007 55 4XX 0.00002 -0.00000 0.00004 0.00005 -0.00005 56 4YY -0.00002 0.00000 0.00001 0.00006 -0.00010 57 4ZZ 0.00002 -0.00002 -0.00001 0.00003 -0.00005 58 4XY -0.00001 0.00000 0.00001 0.00002 0.00001 59 4XZ -0.00001 0.00001 0.00003 -0.00000 -0.00005 60 4YZ 0.00000 0.00001 0.00000 -0.00001 -0.00002 61 5 C 1S 0.00002 0.00001 0.00002 0.00002 0.00092 62 2S 0.00020 0.00006 0.00011 0.00011 -0.00029 63 2PX -0.00001 0.00004 -0.00002 -0.00011 -0.00017 64 2PY -0.00005 0.00004 0.00001 -0.00003 0.00003 65 2PZ 0.00001 0.00001 -0.00003 -0.00006 -0.00003 66 3S -0.00108 0.00091 -0.00190 -0.00453 0.00765 67 3PX -0.00026 -0.00022 -0.00044 -0.00138 0.00313 68 3PY 0.00046 0.00043 -0.00129 -0.00171 0.00186 69 3PZ -0.00032 -0.00038 0.00033 -0.00023 0.00072 70 4XX -0.00005 0.00000 0.00004 0.00001 -0.00031 71 4YY 0.00000 -0.00001 0.00000 0.00007 -0.00011 72 4ZZ -0.00000 0.00003 0.00004 -0.00001 -0.00020 73 4XY -0.00002 -0.00004 -0.00001 -0.00002 -0.00004 74 4XZ -0.00005 -0.00002 0.00002 0.00001 -0.00011 75 4YZ 0.00001 -0.00001 0.00000 -0.00001 0.00001 76 6 C 1S 0.00002 0.00002 0.00001 0.00092 0.00003 77 2S 0.00020 0.00011 0.00006 -0.00029 0.00010 78 2PX -0.00003 -0.00001 0.00005 -0.00014 -0.00010 79 2PY 0.00004 -0.00003 0.00000 -0.00010 -0.00007 80 2PZ -0.00003 -0.00001 0.00003 0.00003 -0.00005 81 3S -0.00105 -0.00191 0.00090 0.00770 -0.00444 82 3PX -0.00003 -0.00088 0.00001 0.00350 -0.00183 83 3PY -0.00057 0.00086 -0.00063 0.00053 0.00053 84 3PZ 0.00016 -0.00060 0.00006 0.00133 -0.00110 85 4XX -0.00005 0.00003 -0.00001 -0.00028 -0.00000 86 4YY -0.00003 0.00004 0.00003 -0.00021 0.00004 87 4ZZ 0.00002 0.00002 0.00001 -0.00012 0.00002 88 4XY -0.00004 0.00002 0.00000 -0.00011 -0.00001 89 4XZ -0.00004 -0.00000 -0.00004 -0.00005 0.00001 90 4YZ -0.00001 0.00002 0.00000 -0.00007 -0.00005 91 7 C 1S 0.00001 -0.00001 -0.00000 -0.00005 0.00003 92 2S 0.00002 -0.00007 -0.00001 -0.00010 0.00004 93 2PX 0.00004 0.00003 -0.00001 -0.00012 0.00003 94 2PY 0.00002 0.00001 0.00001 -0.00003 -0.00002 95 2PZ 0.00001 -0.00002 -0.00000 -0.00010 0.00005 96 3S 0.00006 0.00012 0.00003 -0.00054 0.00012 97 3PX -0.00016 -0.00004 0.00006 0.00057 0.00009 98 3PY -0.00014 -0.00009 0.00002 0.00049 -0.00027 99 3PZ -0.00044 0.00041 -0.00003 -0.00039 0.00043 100 4XX 0.00002 0.00003 -0.00000 -0.00004 0.00007 101 4YY 0.00001 0.00001 -0.00001 -0.00008 0.00004 102 4ZZ 0.00001 -0.00000 -0.00000 -0.00009 0.00004 103 4XY 0.00001 0.00003 0.00001 -0.00003 -0.00001 104 4XZ -0.00002 0.00002 0.00001 -0.00005 0.00001 105 4YZ 0.00001 -0.00001 -0.00001 0.00001 -0.00002 106 8 C 1S 0.00001 -0.00000 0.00001 -0.00004 -0.00001 107 2S 0.00005 -0.00000 0.00003 -0.00016 -0.00003 108 2PX 0.00000 0.00000 0.00001 -0.00003 -0.00000 109 2PY -0.00002 -0.00001 -0.00000 0.00003 0.00002 110 2PZ 0.00000 -0.00000 -0.00000 0.00001 -0.00001 111 3S -0.00034 0.00008 -0.00007 0.00102 -0.00002 112 3PX -0.00013 -0.00002 -0.00011 0.00062 -0.00018 113 3PY -0.00011 0.00003 0.00002 0.00009 0.00011 114 3PZ 0.00002 -0.00007 0.00003 0.00008 0.00003 115 4XX 0.00001 -0.00001 0.00000 -0.00000 -0.00002 116 4YY 0.00001 -0.00000 0.00001 -0.00003 -0.00001 117 4ZZ 0.00002 -0.00001 0.00001 -0.00006 -0.00001 118 4XY -0.00002 -0.00001 -0.00000 0.00003 0.00001 119 4XZ -0.00000 -0.00001 -0.00000 0.00002 -0.00000 120 4YZ 0.00000 -0.00001 0.00000 0.00002 -0.00001 121 9 C 1S 0.00001 0.00001 -0.00000 -0.00001 -0.00003 122 2S 0.00006 0.00003 -0.00000 -0.00002 -0.00014 123 2PX -0.00000 0.00001 0.00000 0.00001 -0.00001 124 2PY 0.00001 0.00000 0.00001 -0.00003 -0.00001 125 2PZ -0.00001 -0.00001 -0.00001 0.00000 0.00004 126 3S -0.00037 -0.00006 0.00009 -0.00005 0.00096 127 3PX -0.00015 -0.00009 0.00001 -0.00010 0.00063 128 3PY 0.00001 -0.00003 -0.00006 -0.00014 0.00014 129 3PZ -0.00005 0.00005 -0.00003 0.00013 -0.00004 130 4XX -0.00000 0.00000 -0.00001 -0.00001 0.00001 131 4YY 0.00002 0.00001 -0.00000 -0.00002 -0.00005 132 4ZZ 0.00002 0.00001 -0.00001 -0.00002 -0.00003 133 4XY 0.00000 -0.00000 -0.00000 -0.00001 0.00002 134 4XZ -0.00001 -0.00000 -0.00001 0.00000 0.00003 135 4YZ 0.00000 -0.00000 -0.00001 0.00000 -0.00000 136 10 H 1S 0.00002 0.00001 -0.00000 0.00002 -0.00006 137 2S 0.00002 0.00001 -0.00006 -0.00003 -0.00008 138 11 H 1S 0.00001 -0.00001 -0.00001 -0.00002 -0.00000 139 2S 0.00000 -0.00004 -0.00001 -0.00008 0.00022 140 12 H 1S 0.00001 -0.00001 -0.00001 -0.00001 -0.00002 141 2S -0.00001 -0.00002 -0.00004 0.00019 -0.00008 142 13 H 1S 0.00002 0.00000 0.00001 -0.00006 0.00002 143 2S 0.00003 -0.00006 0.00001 -0.00003 -0.00003 144 14 H 1S 0.00002 0.00006 0.00000 -0.00004 0.00000 145 2S -0.00007 -0.00001 -0.00001 -0.00013 0.00020 146 15 C 1S -0.00001 -0.00006 0.00005 0.99306 0.00539 147 2S 0.00026 0.00027 0.00023 0.04902 -0.00061 148 2PX 0.00034 -0.00002 0.00006 0.00091 0.00000 149 2PY -0.00019 -0.00005 -0.00004 -0.00009 0.00009 150 2PZ 0.00020 -0.00001 0.00002 0.00064 -0.00003 151 3S -0.00165 -0.00304 -0.00023 -0.00900 0.00281 152 3PX -0.00192 -0.00034 -0.00008 0.00399 -0.00149 153 3PY 0.00068 -0.00560 0.00139 0.00703 -0.00539 154 3PZ -0.00113 0.00059 -0.00034 0.00064 0.00055 155 4XX 0.00012 -0.00010 0.00012 -0.00889 -0.00031 156 4YY -0.00001 -0.00108 0.00002 -0.00778 -0.00006 157 4ZZ 0.00001 -0.00013 0.00007 -0.00911 -0.00029 158 4XY -0.00006 -0.00008 -0.00002 -0.00021 -0.00000 159 4XZ 0.00008 0.00003 0.00000 0.00027 0.00008 160 4YZ -0.00003 0.00009 0.00003 -0.00036 -0.00013 161 16 O 1S 0.99259 0.00003 0.00003 0.00001 0.00002 162 2S 0.02550 0.00007 0.00007 0.00051 0.00054 163 2PX -0.00083 -0.00001 -0.00002 0.00001 0.00004 164 2PY -0.00029 -0.00004 0.00001 0.00009 -0.00007 165 2PZ -0.00027 -0.00002 -0.00004 -0.00002 0.00004 166 3S 0.01526 -0.00052 -0.00052 -0.00193 -0.00208 167 3PX -0.00054 0.00026 0.00028 0.00126 0.00061 168 3PY -0.00013 0.00019 0.00011 -0.00139 0.00190 169 3PZ -0.00003 0.00020 0.00024 0.00084 -0.00056 170 4XX -0.00854 0.00007 0.00005 -0.00015 0.00017 171 4YY -0.00850 -0.00005 -0.00002 -0.00010 -0.00047 172 4ZZ -0.00850 -0.00000 -0.00001 0.00029 0.00039 173 4XY -0.00002 0.00000 0.00006 0.00040 -0.00039 174 4XZ -0.00002 0.00003 -0.00000 -0.00042 -0.00005 175 4YZ -0.00001 0.00002 0.00003 0.00032 0.00033 176 17 C 1S -0.00001 0.00005 -0.00006 -0.00574 0.99305 177 2S 0.00026 0.00023 0.00026 -0.00115 0.04899 178 2PX 0.00022 0.00003 -0.00004 0.00003 0.00073 179 2PY 0.00037 0.00006 0.00002 -0.00009 0.00084 180 2PZ -0.00005 -0.00003 -0.00004 0.00004 0.00023 181 3S -0.00160 -0.00025 -0.00305 0.00298 -0.00880 182 3PX -0.00138 0.00046 -0.00235 -0.00338 0.00597 183 3PY -0.00189 -0.00112 0.00380 0.00313 -0.00252 184 3PZ -0.00001 0.00074 -0.00350 -0.00316 0.00478 185 4XX 0.00005 0.00009 -0.00028 -0.00018 -0.00892 186 4YY 0.00009 0.00004 -0.00052 0.00002 -0.00811 187 4ZZ -0.00002 0.00008 -0.00051 -0.00020 -0.00877 188 4XY 0.00011 0.00005 0.00033 -0.00006 -0.00010 189 4XZ -0.00001 -0.00002 -0.00029 0.00010 0.00035 190 4YZ -0.00001 0.00002 0.00046 -0.00011 -0.00074 191 18 O 1S -0.00002 -0.00040 0.99265 -0.00014 -0.00001 192 2S 0.00006 0.00019 0.02524 -0.00062 0.00096 193 2PX -0.00004 -0.00001 -0.00049 -0.00001 0.00009 194 2PY -0.00002 0.00000 0.00081 0.00000 0.00003 195 2PZ -0.00002 -0.00001 -0.00075 0.00005 0.00002 196 3S 0.00000 -0.00134 0.01678 0.00428 -0.00679 197 3PX 0.00032 0.00014 -0.00104 -0.00012 0.00046 198 3PY 0.00029 -0.00015 0.00156 0.00056 -0.00239 199 3PZ 0.00007 0.00022 -0.00152 -0.00065 0.00175 200 4XX -0.00001 0.00013 -0.00831 -0.00040 0.00067 201 4YY -0.00002 0.00013 -0.00814 -0.00037 0.00027 202 4ZZ 0.00001 0.00012 -0.00817 -0.00035 0.00046 203 4XY -0.00002 0.00001 -0.00023 0.00001 0.00012 204 4XZ -0.00004 -0.00001 0.00022 -0.00002 -0.00015 205 4YZ 0.00002 0.00001 -0.00033 -0.00001 0.00041 206 19 O 1S -0.00002 0.99265 0.00049 -0.00002 -0.00014 207 2S 0.00005 0.02525 0.00022 0.00096 -0.00063 208 2PX -0.00004 -0.00006 -0.00000 0.00009 -0.00001 209 2PY -0.00002 -0.00120 -0.00002 0.00003 0.00003 210 2PZ -0.00002 0.00012 -0.00001 0.00002 0.00004 211 3S 0.00003 0.01674 -0.00135 -0.00676 0.00435 212 3PX 0.00038 -0.00019 0.00005 -0.00068 0.00017 213 3PY -0.00003 -0.00238 0.00031 0.00285 -0.00086 214 3PZ 0.00021 0.00020 0.00002 -0.00053 -0.00005 215 4XX -0.00002 -0.00844 0.00013 0.00068 -0.00039 216 4YY -0.00003 -0.00774 0.00011 -0.00001 -0.00038 217 4ZZ 0.00002 -0.00844 0.00013 0.00072 -0.00037 218 4XY -0.00001 0.00007 -0.00001 0.00012 -0.00003 219 4XZ -0.00004 -0.00000 0.00000 -0.00006 -0.00001 220 4YZ 0.00001 -0.00007 -0.00000 0.00013 0.00002 221 20 H 1S 0.00006 0.00002 -0.00003 -0.00027 0.00008 222 2S 0.00011 0.00004 -0.00004 0.00008 -0.00003 223 21 H 1S 0.00006 -0.00002 0.00002 0.00008 -0.00026 224 2S 0.00011 -0.00004 0.00003 -0.00005 0.00010 225 22 H 1S 0.00001 0.00000 0.00005 -0.00000 -0.00005 226 2S -0.00008 -0.00002 -0.00003 0.00017 -0.00017 227 23 H 1S -0.00001 0.00002 -0.00002 -0.00001 0.00001 228 2S 0.00001 0.00005 -0.00007 -0.00018 0.00021 229 24 H 1S -0.00000 0.00003 0.00000 0.00003 -0.00001 230 2S 0.00005 -0.00013 -0.00004 0.00018 0.00018 231 25 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00002 232 2S 0.00000 0.00001 0.00000 0.00003 -0.00001 233 26 H 1S -0.00000 -0.00000 -0.00000 0.00002 0.00001 234 2S 0.00002 -0.00003 -0.00002 0.00002 -0.00003 6 7 8 9 10 O O O O O Eigenvalues -- -10.22619 -10.22470 -10.21550 -10.21404 -10.20429 1 1 C 1S 0.00004 -0.00002 -0.00016 -0.00007 0.00003 2 2S -0.00005 -0.00004 -0.00018 -0.00013 -0.00004 3 2PX 0.00007 0.00002 -0.00000 -0.00001 -0.00002 4 2PY -0.00006 -0.00001 -0.00002 0.00007 -0.00007 5 2PZ -0.00009 0.00000 0.00012 0.00001 -0.00005 6 3S 0.00123 0.00003 0.00236 -0.00051 0.00113 7 3PX -0.00017 -0.00008 0.00018 -0.00000 0.00040 8 3PY -0.00051 -0.00013 -0.00093 0.00008 -0.00027 9 3PZ -0.00030 0.00020 0.00002 -0.00018 -0.00020 10 4XX 0.00003 -0.00002 -0.00012 -0.00006 0.00001 11 4YY 0.00005 0.00003 0.00000 -0.00003 0.00004 12 4ZZ 0.00006 -0.00003 -0.00014 -0.00001 0.00003 13 4XY -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 14 4XZ 0.00003 0.00000 0.00002 -0.00001 -0.00005 15 4YZ 0.00005 -0.00000 -0.00009 0.00004 -0.00000 16 2 C 1S -0.00022 -0.00001 0.00823 0.00015 -0.00137 17 2S -0.00051 0.00011 0.00015 0.00006 -0.00058 18 2PX -0.00004 -0.00009 -0.00000 -0.00001 0.00007 19 2PY 0.00019 0.00005 -0.00012 0.00009 0.00015 20 2PZ 0.00023 -0.00004 0.00000 0.00009 0.00016 21 3S 0.00150 -0.00165 0.00962 -0.00596 0.00264 22 3PX 0.00085 -0.00015 0.00070 -0.00056 -0.00003 23 3PY -0.00264 0.00132 -0.00245 0.00225 -0.00237 24 3PZ -0.00063 -0.00068 -0.00724 0.00306 -0.00140 25 4XX -0.00005 -0.00002 -0.00016 -0.00003 -0.00015 26 4YY -0.00018 -0.00003 -0.00001 0.00000 -0.00007 27 4ZZ -0.00014 0.00006 -0.00021 -0.00009 -0.00005 28 4XY -0.00011 0.00002 -0.00002 -0.00001 0.00009 29 4XZ -0.00010 0.00003 -0.00002 0.00000 0.00007 30 4YZ -0.00003 -0.00006 0.00013 -0.00003 0.00003 31 3 C 1S -0.00002 -0.00020 0.00001 0.00495 -0.00006 32 2S 0.00004 -0.00057 -0.00007 -0.00004 0.00007 33 2PX -0.00003 0.00004 -0.00001 -0.00002 0.00006 34 2PY -0.00012 0.00009 0.00005 -0.00001 -0.00009 35 2PZ 0.00005 0.00025 0.00016 -0.00016 0.00004 36 3S -0.00178 0.00209 -0.00480 0.01017 -0.00212 37 3PX 0.00016 -0.00030 -0.00032 0.00057 0.00022 38 3PY -0.00083 0.00142 0.00108 -0.00195 -0.00037 39 3PZ 0.00076 -0.00168 0.00426 -0.00552 0.00118 40 4XX -0.00002 -0.00013 -0.00007 -0.00017 -0.00000 41 4YY 0.00005 -0.00014 0.00002 -0.00022 0.00006 42 4ZZ -0.00006 -0.00012 -0.00006 0.00001 -0.00004 43 4XY -0.00002 0.00002 -0.00003 0.00001 0.00001 44 4XZ -0.00001 -0.00017 0.00001 0.00004 -0.00001 45 4YZ 0.00005 -0.00005 -0.00005 -0.00014 0.00003 46 4 C 1S 0.00049 0.00939 -0.01012 0.99333 -0.00050 47 2S 0.00004 0.00010 -0.00229 0.05187 -0.00010 48 2PX -0.00019 0.00016 0.00011 -0.00006 0.00012 49 2PY -0.00001 -0.00005 -0.00035 0.00074 0.00005 50 2PZ 0.00014 -0.00016 0.00023 -0.00043 0.00011 51 3S -0.00080 0.00573 0.01193 -0.03211 0.00013 52 3PX -0.00005 0.00233 -0.00100 0.00108 -0.00005 53 3PY -0.00070 0.00163 0.00569 -0.00758 0.00012 54 3PZ -0.00018 -0.00053 -0.00224 0.00300 0.00003 55 4XX -0.00006 -0.00033 -0.00030 -0.00845 -0.00005 56 4YY -0.00001 -0.00020 -0.00026 -0.00827 0.00003 57 4ZZ -0.00003 -0.00036 -0.00032 -0.00836 -0.00002 58 4XY -0.00006 0.00004 0.00000 -0.00009 -0.00001 59 4XZ 0.00000 0.00012 -0.00001 0.00003 0.00000 60 4YZ -0.00003 0.00002 -0.00000 -0.00015 -0.00003 61 5 C 1S 0.06891 0.99087 0.00034 -0.00972 0.00003 62 2S 0.00269 0.05163 0.00035 -0.00119 0.00014 63 2PX -0.00000 0.00012 0.00023 -0.00024 0.00000 64 2PY 0.00009 0.00034 -0.00009 -0.00001 -0.00003 65 2PZ -0.00007 0.00029 -0.00003 0.00003 0.00000 66 3S 0.00881 -0.03014 -0.00630 0.01139 -0.00152 67 3PX -0.00064 -0.00059 0.00250 -0.00396 0.00049 68 3PY 0.00414 -0.00484 -0.00150 0.00124 -0.00049 69 3PZ -0.00015 -0.00284 -0.00090 0.00227 0.00067 70 4XX -0.00084 -0.00860 -0.00010 -0.00004 -0.00000 71 4YY -0.00098 -0.00861 -0.00003 -0.00007 0.00003 72 4ZZ -0.00093 -0.00847 -0.00002 -0.00020 -0.00000 73 4XY -0.00002 -0.00001 -0.00002 -0.00012 0.00004 74 4XZ -0.00004 -0.00003 0.00003 0.00012 -0.00004 75 4YZ 0.00015 0.00012 -0.00002 0.00010 0.00002 76 6 C 1S 0.99084 -0.06940 -0.00972 0.00012 0.00011 77 2S 0.05153 -0.00451 -0.00122 0.00030 -0.00016 78 2PX 0.00017 0.00001 -0.00026 0.00019 0.00016 79 2PY 0.00005 -0.00010 -0.00005 0.00010 0.00013 80 2PZ 0.00044 -0.00004 0.00006 -0.00013 0.00012 81 3S -0.02864 0.01303 0.01184 -0.00590 0.00015 82 3PX -0.00170 0.00109 -0.00358 0.00193 -0.00163 83 3PY 0.00032 -0.00297 -0.00061 0.00114 -0.00232 84 3PZ -0.00495 0.00358 0.00326 -0.00185 -0.00079 85 4XX -0.00862 0.00033 -0.00015 -0.00012 0.00001 86 4YY -0.00870 0.00015 -0.00010 -0.00001 -0.00006 87 4ZZ -0.00846 0.00036 -0.00006 -0.00005 -0.00009 88 4XY 0.00003 0.00008 0.00019 -0.00000 -0.00001 89 4XZ -0.00003 -0.00004 0.00003 0.00002 -0.00004 90 4YZ 0.00008 0.00001 -0.00010 0.00000 -0.00005 91 7 C 1S 0.00936 -0.00084 0.99333 0.00939 -0.00918 92 2S 0.00011 0.00008 0.05213 -0.00128 -0.00054 93 2PX 0.00014 -0.00022 0.00026 -0.00005 0.00002 94 2PY -0.00003 0.00004 -0.00079 0.00043 -0.00004 95 2PZ -0.00016 0.00011 0.00020 -0.00008 -0.00006 96 3S 0.00539 -0.00222 -0.03389 0.01120 0.00369 97 3PX 0.00264 -0.00072 -0.00214 0.00136 -0.00177 98 3PY -0.00029 0.00040 0.00733 -0.00541 -0.00061 99 3PZ 0.00027 -0.00088 -0.00411 0.00240 -0.00132 100 4XX -0.00034 -0.00003 -0.00844 -0.00045 -0.00014 101 4YY -0.00026 0.00008 -0.00814 -0.00046 -0.00009 102 4ZZ -0.00030 -0.00000 -0.00845 -0.00045 -0.00011 103 4XY 0.00003 -0.00000 -0.00004 -0.00001 -0.00010 104 4XZ 0.00014 -0.00004 -0.00001 0.00001 -0.00006 105 4YZ -0.00004 -0.00003 -0.00008 -0.00003 -0.00005 106 8 C 1S -0.00009 0.00002 0.00897 0.00008 0.99143 107 2S -0.00017 0.00006 -0.00008 0.00020 0.05032 108 2PX -0.00013 0.00003 0.00030 -0.00024 0.00029 109 2PY -0.00003 0.00005 0.00010 -0.00005 0.00004 110 2PZ 0.00006 0.00001 0.00020 -0.00016 0.00015 111 3S 0.00044 -0.00007 0.00992 -0.00504 -0.02077 112 3PX 0.00068 -0.00038 0.00314 -0.00171 -0.00200 113 3PY 0.00006 -0.00016 0.00090 0.00032 0.00049 114 3PZ -0.00077 0.00040 0.00186 -0.00115 -0.00141 115 4XX 0.00004 -0.00000 -0.00016 -0.00009 -0.00874 116 4YY -0.00006 0.00005 -0.00035 -0.00004 -0.00886 117 4ZZ -0.00011 0.00004 -0.00015 -0.00005 -0.00870 118 4XY -0.00003 0.00003 -0.00016 -0.00004 -0.00004 119 4XZ -0.00004 -0.00000 0.00006 -0.00001 -0.00010 120 4YZ 0.00001 -0.00001 -0.00007 -0.00003 0.00006 121 9 C 1S 0.00001 -0.00008 -0.00007 0.00882 0.05737 122 2S 0.00004 -0.00016 0.00022 -0.00008 0.00236 123 2PX 0.00002 -0.00015 -0.00022 0.00026 -0.00001 124 2PY -0.00001 0.00002 -0.00016 0.00017 -0.00001 125 2PZ 0.00004 0.00004 -0.00010 0.00015 0.00000 126 3S -0.00013 0.00032 -0.00528 0.00967 0.00561 127 3PX -0.00035 0.00081 -0.00129 0.00293 -0.00005 128 3PY 0.00013 -0.00046 -0.00169 0.00174 0.00266 129 3PZ 0.00015 -0.00063 -0.00043 0.00140 -0.00086 130 4XX 0.00002 0.00002 -0.00009 -0.00029 -0.00075 131 4YY 0.00002 -0.00009 -0.00002 -0.00009 -0.00090 132 4ZZ 0.00002 -0.00005 -0.00006 -0.00029 -0.00077 133 4XY -0.00003 0.00003 -0.00002 0.00013 0.00011 134 4XZ 0.00001 -0.00005 -0.00002 -0.00012 -0.00006 135 4YZ 0.00001 -0.00005 -0.00002 0.00005 0.00014 136 10 H 1S 0.00006 -0.00009 0.00016 -0.00031 -0.00026 137 2S 0.00003 -0.00063 0.00003 -0.00022 0.00009 138 11 H 1S -0.00002 0.00004 0.00016 -0.00028 -0.00024 139 2S -0.00008 0.00059 0.00001 -0.00011 0.00011 140 12 H 1S 0.00002 -0.00003 -0.00030 0.00014 0.00011 141 2S 0.00058 -0.00016 -0.00012 -0.00003 0.00248 142 13 H 1S -0.00007 0.00007 -0.00031 0.00016 0.00014 143 2S -0.00060 0.00011 -0.00024 0.00007 0.00252 144 14 H 1S -0.00022 -0.00001 -0.00004 0.00008 -0.00021 145 2S -0.00009 0.00008 0.00100 0.00139 -0.00041 146 15 C 1S -0.00120 0.00008 -0.00001 0.00001 -0.00003 147 2S -0.00048 -0.00001 -0.00011 0.00005 -0.00019 148 2PX -0.00010 0.00018 0.00016 -0.00009 -0.00000 149 2PY -0.00002 0.00001 0.00007 -0.00005 -0.00000 150 2PZ 0.00004 0.00008 0.00006 0.00000 0.00001 151 3S 0.00754 -0.00285 -0.00056 -0.00002 0.00259 152 3PX -0.00369 0.00098 0.00000 0.00005 -0.00166 153 3PY -0.00348 0.00069 0.00088 0.00011 0.00042 154 3PZ -0.00090 0.00005 -0.00077 0.00029 -0.00090 155 4XX -0.00023 -0.00004 -0.00013 0.00011 -0.00002 156 4YY -0.00019 0.00005 -0.00016 0.00006 0.00003 157 4ZZ -0.00025 0.00003 -0.00009 0.00003 -0.00010 158 4XY -0.00017 0.00002 -0.00006 0.00002 0.00006 159 4XZ -0.00012 0.00002 -0.00004 -0.00000 0.00001 160 4YZ -0.00016 -0.00001 0.00006 0.00000 -0.00001 161 16 O 1S -0.00003 -0.00003 -0.00002 -0.00002 -0.00001 162 2S -0.00018 -0.00015 -0.00010 -0.00009 -0.00005 163 2PX 0.00003 -0.00001 -0.00001 -0.00001 -0.00000 164 2PY -0.00008 0.00009 0.00000 0.00000 -0.00004 165 2PZ 0.00003 -0.00005 0.00001 0.00001 0.00001 166 3S 0.00017 0.00013 0.00074 0.00066 0.00026 167 3PX 0.00022 0.00028 -0.00023 -0.00010 0.00003 168 3PY 0.00033 -0.00011 0.00019 -0.00029 0.00047 169 3PZ 0.00005 0.00024 -0.00018 0.00003 -0.00013 170 4XX -0.00011 -0.00008 -0.00003 -0.00007 -0.00004 171 4YY -0.00003 -0.00007 -0.00006 -0.00003 -0.00004 172 4ZZ -0.00018 -0.00012 -0.00005 -0.00002 -0.00004 173 4XY 0.00004 -0.00001 -0.00005 0.00005 -0.00003 174 4XZ 0.00006 0.00008 0.00002 -0.00002 0.00002 175 4YZ -0.00003 -0.00006 0.00002 -0.00001 -0.00001 176 17 C 1S -0.00008 -0.00120 0.00002 -0.00001 -0.00001 177 2S -0.00010 -0.00048 0.00006 -0.00011 -0.00009 178 2PX 0.00015 -0.00012 -0.00012 0.00016 0.00003 179 2PY 0.00010 -0.00001 -0.00000 0.00005 0.00002 180 2PZ 0.00004 0.00002 -0.00002 0.00006 0.00001 181 3S -0.00168 0.00779 0.00004 -0.00048 0.00031 182 3PX 0.00048 -0.00459 0.00001 0.00037 -0.00013 183 3PY 0.00001 0.00033 0.00018 -0.00097 0.00069 184 3PZ 0.00002 -0.00259 0.00024 0.00003 -0.00041 185 4XX -0.00007 -0.00028 0.00013 -0.00015 -0.00001 186 4YY 0.00002 -0.00010 0.00005 -0.00016 0.00002 187 4ZZ -0.00003 -0.00030 0.00005 -0.00006 -0.00003 188 4XY -0.00004 -0.00004 0.00001 0.00002 0.00002 189 4XZ 0.00002 -0.00020 0.00001 -0.00007 0.00001 190 4YZ -0.00001 -0.00011 -0.00001 0.00001 -0.00002 191 18 O 1S -0.00004 -0.00006 0.00000 0.00002 -0.00001 192 2S -0.00019 -0.00029 0.00001 0.00009 -0.00006 193 2PX 0.00003 -0.00002 0.00001 0.00001 -0.00001 194 2PY -0.00000 -0.00003 -0.00001 -0.00001 -0.00000 195 2PZ 0.00003 0.00004 0.00000 -0.00005 0.00000 196 3S 0.00093 0.00142 -0.00007 -0.00058 0.00051 197 3PX -0.00028 0.00046 -0.00002 0.00002 -0.00004 198 3PY 0.00013 0.00051 -0.00005 0.00012 0.00005 199 3PZ -0.00023 -0.00015 -0.00000 0.00020 -0.00007 200 4XX -0.00011 -0.00022 0.00002 0.00003 -0.00004 201 4YY -0.00012 -0.00007 -0.00002 0.00010 -0.00003 202 4ZZ -0.00012 -0.00022 -0.00000 0.00004 -0.00003 203 4XY -0.00002 0.00008 0.00000 -0.00004 -0.00000 204 4XZ 0.00004 0.00002 -0.00000 -0.00000 -0.00001 205 4YZ -0.00001 -0.00010 0.00000 -0.00004 0.00000 206 19 O 1S -0.00006 -0.00003 0.00002 0.00000 0.00003 207 2S -0.00030 -0.00016 0.00011 0.00001 0.00014 208 2PX -0.00003 0.00003 0.00002 0.00001 -0.00001 209 2PY 0.00004 0.00003 -0.00003 0.00001 0.00000 210 2PZ 0.00001 0.00001 -0.00005 -0.00000 -0.00002 211 3S 0.00145 0.00076 -0.00068 -0.00011 -0.00113 212 3PX 0.00060 -0.00027 0.00002 -0.00004 0.00028 213 3PY -0.00028 -0.00032 0.00010 0.00003 0.00037 214 3PZ 0.00018 -0.00004 0.00024 -0.00004 0.00016 215 4XX -0.00016 -0.00011 0.00003 0.00002 0.00009 216 4YY -0.00012 -0.00007 0.00011 -0.00001 0.00003 217 4ZZ -0.00026 -0.00010 0.00005 -0.00001 0.00006 218 4XY -0.00009 0.00005 -0.00002 0.00001 -0.00004 219 4XZ 0.00009 -0.00000 -0.00001 -0.00001 0.00002 220 4YZ -0.00006 0.00000 -0.00004 0.00001 -0.00003 221 20 H 1S 0.00012 -0.00029 -0.00020 0.00011 -0.00011 222 2S 0.00191 0.00015 0.00013 -0.00015 -0.00057 223 21 H 1S -0.00027 0.00016 0.00011 -0.00021 0.00011 224 2S 0.00044 0.00193 -0.00020 0.00013 0.00004 225 22 H 1S -0.00004 -0.00020 0.00005 -0.00007 -0.00003 226 2S 0.00004 0.00002 0.00141 0.00095 0.00017 227 23 H 1S 0.00000 0.00013 -0.00019 -0.00004 -0.00001 228 2S -0.00021 0.00065 -0.00097 0.00099 -0.00029 229 24 H 1S 0.00006 -0.00000 -0.00006 -0.00000 -0.00006 230 2S -0.00000 0.00009 -0.00006 -0.00005 -0.00008 231 25 H 1S -0.00008 -0.00000 -0.00004 -0.00001 0.00006 232 2S 0.00004 -0.00006 -0.00011 -0.00001 -0.00000 233 26 H 1S -0.00004 -0.00001 -0.00007 -0.00004 -0.00003 234 2S 0.00001 -0.00013 -0.00015 0.00023 0.00001 11 12 13 14 15 O O O O O Eigenvalues -- -10.20264 -10.20013 -10.19363 -10.18855 -1.15546 1 1 C 1S -0.00002 0.01956 0.99276 0.00141 -0.00020 2 2S -0.00003 0.00081 0.04996 -0.00007 0.00049 3 2PX -0.00002 -0.00007 -0.00001 -0.00001 0.00013 4 2PY 0.00000 0.00029 -0.00006 -0.00001 -0.00004 5 2PZ -0.00000 0.00015 -0.00012 -0.00003 -0.00005 6 3S -0.00025 0.00255 -0.01829 0.00140 -0.00228 7 3PX 0.00004 0.00045 -0.00032 0.00010 -0.00071 8 3PY 0.00000 -0.00139 0.00136 -0.00025 0.00004 9 3PZ 0.00017 -0.00035 0.00094 -0.00075 0.00057 10 4XX -0.00001 -0.00027 -0.00905 -0.00005 -0.00004 11 4YY 0.00002 -0.00061 -0.00913 0.00000 0.00005 12 4ZZ -0.00001 -0.00049 -0.00905 0.00004 -0.00003 13 4XY -0.00000 0.00008 0.00002 -0.00001 0.00000 14 4XZ 0.00000 0.00004 0.00001 -0.00001 0.00001 15 4YZ 0.00001 -0.00025 -0.00003 0.00005 -0.00002 16 2 C 1S -0.00003 0.99207 -0.01975 -0.03633 -0.00165 17 2S 0.00015 0.05001 -0.00119 -0.00256 0.00193 18 2PX 0.00002 0.00015 0.00003 -0.00006 0.00086 19 2PY 0.00007 -0.00011 -0.00021 0.00035 -0.00075 20 2PZ -0.00005 -0.00037 -0.00016 -0.00005 -0.00122 21 3S -0.00239 -0.01891 0.00459 0.00941 0.00635 22 3PX -0.00024 -0.00094 -0.00057 0.00130 0.00118 23 3PY 0.00145 0.00271 0.00265 -0.00592 0.00299 24 3PZ 0.00024 0.00028 0.00259 0.00035 -0.00195 25 4XX 0.00003 -0.00911 0.00001 0.00017 -0.00032 26 4YY -0.00002 -0.00876 -0.00021 0.00007 -0.00022 27 4ZZ 0.00004 -0.00899 -0.00011 0.00001 0.00001 28 4XY -0.00001 -0.00010 0.00006 0.00001 -0.00004 29 4XZ 0.00001 -0.00000 0.00004 -0.00001 -0.00021 30 4YZ -0.00005 -0.00001 -0.00015 0.00007 -0.00004 31 3 C 1S -0.00051 0.03574 -0.00214 0.99228 -0.00160 32 2S -0.00060 0.00109 -0.00017 0.05025 0.00178 33 2PX 0.00003 0.00007 0.00000 0.00014 0.00075 34 2PY 0.00006 -0.00023 -0.00005 -0.00012 -0.00004 35 2PZ 0.00017 0.00016 -0.00009 -0.00059 -0.00143 36 3S 0.00329 0.00721 -0.00012 -0.02039 0.00798 37 3PX -0.00037 -0.00057 0.00001 0.00026 0.00152 38 3PY 0.00067 0.00303 -0.00002 -0.00259 -0.00123 39 3PZ -0.00225 -0.00208 -0.00009 0.00515 -0.00152 40 4XX -0.00014 -0.00051 -0.00005 -0.00920 -0.00027 41 4YY -0.00012 -0.00067 0.00002 -0.00901 -0.00012 42 4ZZ -0.00007 -0.00054 0.00006 -0.00902 -0.00009 43 4XY -0.00003 0.00006 -0.00002 -0.00005 -0.00020 44 4XZ 0.00013 -0.00001 0.00002 0.00002 -0.00019 45 4YZ 0.00005 0.00002 -0.00009 -0.00010 0.00005 46 4 C 1S -0.00904 -0.00025 0.00002 -0.00507 -0.00274 47 2S -0.00054 -0.00015 -0.00014 -0.00003 0.00583 48 2PX 0.00001 0.00001 -0.00001 0.00003 0.00367 49 2PY -0.00001 -0.00006 -0.00003 0.00008 0.00200 50 2PZ -0.00008 -0.00014 0.00003 0.00010 -0.00103 51 3S 0.00390 -0.00018 0.00054 0.00240 0.00036 52 3PX -0.00176 -0.00007 -0.00008 -0.00018 -0.00304 53 3PY -0.00103 0.00003 0.00038 0.00094 -0.00366 54 3PZ -0.00113 0.00042 -0.00019 0.00081 -0.00417 55 4XX -0.00017 -0.00003 -0.00005 0.00001 0.00059 56 4YY -0.00006 0.00009 -0.00001 -0.00006 -0.00008 57 4ZZ -0.00012 0.00001 -0.00003 -0.00015 0.00019 58 4XY -0.00003 -0.00003 -0.00001 0.00004 0.00016 59 4XZ -0.00010 0.00000 -0.00000 0.00004 -0.00038 60 4YZ -0.00005 -0.00001 0.00002 -0.00017 -0.00017 61 5 C 1S 0.00010 0.00004 -0.00000 0.00004 -0.01848 62 2S -0.00016 0.00002 -0.00006 -0.00043 0.03361 63 2PX 0.00018 -0.00002 0.00003 -0.00004 0.01971 64 2PY 0.00007 -0.00008 0.00002 -0.00010 0.01351 65 2PZ 0.00016 0.00001 -0.00004 -0.00023 0.00824 66 3S 0.00023 -0.00050 0.00037 0.00100 0.00821 67 3PX -0.00217 0.00020 0.00010 -0.00073 -0.00009 68 3PY 0.00026 -0.00066 0.00027 0.00109 0.00769 69 3PZ -0.00203 -0.00012 0.00016 0.00104 0.00002 70 4XX 0.00001 -0.00000 -0.00002 -0.00013 0.00329 71 4YY -0.00004 -0.00005 0.00001 -0.00013 0.00053 72 4ZZ -0.00009 0.00001 -0.00002 -0.00012 0.00012 73 4XY -0.00001 -0.00000 0.00000 -0.00007 0.00200 74 4XZ -0.00004 -0.00001 0.00000 -0.00012 0.00284 75 4YZ -0.00003 -0.00005 0.00001 0.00006 0.00076 76 6 C 1S 0.00002 0.00011 -0.00001 0.00003 -0.01867 77 2S 0.00014 -0.00039 0.00008 0.00007 0.03390 78 2PX -0.00003 -0.00006 0.00002 -0.00005 0.02186 79 2PY 0.00001 -0.00009 0.00001 0.00006 0.00446 80 2PZ -0.00003 -0.00021 0.00005 -0.00003 0.01229 81 3S -0.00137 0.00104 -0.00065 -0.00056 0.00801 82 3PX 0.00038 -0.00068 -0.00014 -0.00004 0.00260 83 3PY 0.00114 -0.00038 0.00012 0.00027 -0.00427 84 3PZ 0.00023 0.00143 -0.00054 -0.00079 0.00561 85 4XX 0.00003 -0.00012 0.00004 0.00001 0.00326 86 4YY -0.00003 -0.00018 0.00003 0.00003 0.00055 87 4ZZ 0.00003 -0.00005 0.00005 -0.00005 0.00014 88 4XY -0.00005 -0.00002 -0.00001 -0.00001 0.00217 89 4XZ 0.00002 -0.00012 0.00000 -0.00001 0.00280 90 4YZ -0.00000 -0.00003 -0.00000 0.00003 0.00075 91 7 C 1S 0.00054 -0.00833 0.00023 0.00021 -0.00282 92 2S -0.00000 -0.00010 -0.00025 -0.00021 0.00596 93 2PX 0.00011 0.00004 0.00000 0.00001 0.00432 94 2PY 0.00010 -0.00001 -0.00010 -0.00006 -0.00065 95 2PZ 0.00009 0.00004 -0.00010 -0.00016 0.00019 96 3S -0.00071 0.00126 0.00150 -0.00019 0.00056 97 3PX 0.00023 -0.00008 0.00015 -0.00018 -0.00356 98 3PY 0.00001 0.00074 -0.00016 0.00065 -0.00250 99 3PZ 0.00011 0.00091 0.00101 0.00032 -0.00509 100 4XX -0.00001 0.00006 -0.00013 -0.00005 0.00071 101 4YY 0.00004 0.00010 -0.00006 0.00004 0.00004 102 4ZZ -0.00001 -0.00025 0.00001 0.00006 -0.00003 103 4XY -0.00002 -0.00002 -0.00003 -0.00003 -0.00014 104 4XZ 0.00003 0.00002 0.00002 0.00000 -0.00033 105 4YZ -0.00003 -0.00001 -0.00007 -0.00002 0.00008 106 8 C 1S -0.05774 0.00110 -0.00005 0.00003 -0.00047 107 2S -0.00348 -0.00042 0.00001 0.00012 0.00134 108 2PX -0.00005 0.00003 -0.00000 -0.00001 0.00053 109 2PY 0.00001 -0.00005 0.00002 0.00008 0.00005 110 2PZ -0.00002 -0.00021 0.00004 -0.00003 0.00023 111 3S 0.00806 0.00201 -0.00009 -0.00101 -0.00363 112 3PX 0.00125 0.00021 0.00004 0.00018 -0.00096 113 3PY -0.00232 0.00013 -0.00004 0.00018 -0.00150 114 3PZ 0.00140 0.00195 -0.00032 -0.00092 0.00029 115 4XX 0.00031 -0.00011 0.00001 0.00002 0.00003 116 4YY 0.00004 -0.00015 0.00003 0.00005 -0.00001 117 4ZZ 0.00029 -0.00005 0.00003 -0.00003 0.00008 118 4XY 0.00001 0.00002 0.00002 0.00002 -0.00005 119 4XZ 0.00001 0.00010 -0.00001 -0.00001 0.00007 120 4YZ 0.00010 0.00004 -0.00002 0.00004 0.00001 121 9 C 1S 0.99145 0.00016 0.00001 0.00025 -0.00045 122 2S 0.05036 0.00008 -0.00001 -0.00050 0.00137 123 2PX 0.00025 0.00002 -0.00001 0.00001 0.00047 124 2PY 0.00018 -0.00008 -0.00001 -0.00012 0.00032 125 2PZ 0.00006 0.00002 -0.00003 -0.00022 0.00014 126 3S -0.02151 -0.00091 -0.00008 0.00189 -0.00360 127 3PX -0.00150 0.00028 -0.00017 -0.00024 -0.00121 128 3PY -0.00224 -0.00060 0.00007 0.00143 0.00062 129 3PZ -0.00017 -0.00035 0.00015 0.00160 -0.00089 130 4XX -0.00874 0.00001 -0.00001 -0.00015 0.00001 131 4YY -0.00880 -0.00004 0.00001 -0.00009 0.00008 132 4ZZ -0.00869 0.00004 -0.00001 -0.00009 0.00005 133 4XY -0.00001 0.00001 -0.00001 0.00006 0.00008 134 4XZ -0.00011 0.00003 -0.00000 0.00006 0.00001 135 4YZ 0.00005 -0.00003 0.00001 0.00008 0.00004 136 10 H 1S 0.00018 -0.00002 0.00002 0.00010 0.00025 137 2S 0.00259 -0.00015 0.00010 0.00091 0.00034 138 11 H 1S 0.00013 0.00009 -0.00002 -0.00031 0.00024 139 2S 0.00245 0.00010 -0.00007 -0.00031 0.00016 140 12 H 1S -0.00025 -0.00028 0.00007 0.00012 0.00022 141 2S -0.00018 -0.00024 -0.00004 0.00016 0.00006 142 13 H 1S -0.00028 0.00008 -0.00004 -0.00004 0.00028 143 2S -0.00022 0.00078 -0.00009 -0.00023 0.00048 144 14 H 1S 0.00000 -0.00007 -0.00013 -0.00005 0.00134 145 2S 0.00025 -0.00030 0.00025 -0.00008 -0.00077 146 15 C 1S -0.00001 -0.00005 0.00001 0.00002 -0.08768 147 2S -0.00007 -0.00031 0.00002 0.00012 0.16853 148 2PX 0.00003 0.00029 -0.00006 -0.00000 0.06160 149 2PY 0.00001 0.00010 -0.00002 -0.00005 -0.02905 150 2PZ 0.00002 -0.00012 0.00001 0.00002 0.04021 151 3S -0.00001 0.00276 -0.00014 -0.00009 0.02858 152 3PX 0.00037 -0.00033 0.00007 0.00023 -0.02253 153 3PY -0.00075 -0.00020 -0.00049 -0.00026 -0.00107 154 3PZ 0.00030 0.00063 0.00008 0.00021 -0.01299 155 4XX 0.00000 -0.00020 0.00004 0.00003 -0.00417 156 4YY -0.00001 -0.00011 0.00001 0.00003 0.00672 157 4ZZ -0.00002 -0.00019 0.00003 0.00005 -0.00963 158 4XY -0.00002 -0.00003 -0.00001 -0.00002 -0.01109 159 4XZ 0.00003 0.00011 0.00000 0.00002 0.00854 160 4YZ -0.00002 0.00002 0.00000 0.00000 -0.01024 161 16 O 1S -0.00002 0.00009 -0.00000 0.00009 -0.17836 162 2S -0.00007 0.00043 -0.00001 0.00040 0.38600 163 2PX -0.00001 -0.00007 0.00001 -0.00006 -0.09905 164 2PY 0.00004 0.00001 -0.00001 -0.00002 -0.03201 165 2PZ -0.00002 0.00001 -0.00000 0.00003 -0.02610 166 3S 0.00037 -0.00227 -0.00005 -0.00208 0.40379 167 3PX 0.00017 0.00071 -0.00001 0.00055 -0.05561 168 3PY -0.00044 -0.00012 -0.00002 0.00036 -0.01766 169 3PZ 0.00025 0.00004 0.00006 -0.00020 -0.01392 170 4XX -0.00007 0.00018 -0.00000 0.00019 0.00091 171 4YY -0.00002 0.00024 0.00000 0.00023 0.00441 172 4ZZ -0.00006 0.00032 -0.00002 0.00027 -0.00820 173 4XY 0.00003 0.00002 0.00001 -0.00004 0.00051 174 4XZ -0.00001 -0.00001 -0.00001 0.00001 0.00466 175 4YZ -0.00001 0.00001 -0.00000 0.00006 -0.00651 176 17 C 1S -0.00003 0.00002 0.00000 -0.00005 -0.08651 177 2S -0.00016 0.00010 0.00002 -0.00031 0.16632 178 2PX -0.00003 0.00000 -0.00000 0.00034 0.04024 179 2PY 0.00001 0.00004 0.00001 -0.00005 0.06838 180 2PZ 0.00001 -0.00002 -0.00000 -0.00006 -0.00268 181 3S 0.00240 -0.00002 -0.00037 0.00260 0.02797 182 3PX -0.00120 0.00010 0.00012 -0.00037 -0.01885 183 3PY -0.00157 0.00050 -0.00003 0.00045 -0.01698 184 3PZ -0.00004 -0.00009 0.00001 0.00044 -0.00587 185 4XX 0.00003 0.00000 0.00000 -0.00023 -0.01016 186 4YY -0.00005 0.00004 0.00000 -0.00012 0.01286 187 4ZZ -0.00004 0.00004 0.00001 -0.00015 -0.00954 188 4XY -0.00003 0.00002 -0.00001 0.00006 0.00475 189 4XZ 0.00006 0.00000 -0.00000 0.00008 0.00131 190 4YZ -0.00005 0.00000 0.00001 -0.00004 -0.01166 191 18 O 1S 0.00003 -0.00001 -0.00000 0.00006 -0.04728 192 2S 0.00014 -0.00005 -0.00002 0.00027 0.10280 193 2PX 0.00000 0.00001 0.00000 -0.00005 -0.01632 194 2PY -0.00002 0.00000 -0.00000 0.00004 0.03642 195 2PZ -0.00001 0.00001 -0.00000 -0.00000 -0.02931 196 3S -0.00114 0.00035 0.00010 -0.00144 0.09059 197 3PX 0.00035 -0.00011 -0.00004 0.00040 -0.00155 198 3PY -0.00001 -0.00002 0.00003 -0.00046 0.02001 199 3PZ 0.00033 -0.00007 -0.00002 0.00012 -0.01064 200 4XX 0.00006 -0.00002 -0.00001 0.00013 -0.00275 201 4YY 0.00010 -0.00005 -0.00001 0.00014 0.00322 202 4ZZ 0.00002 -0.00003 -0.00001 0.00022 0.00033 203 4XY 0.00004 -0.00000 -0.00001 0.00006 -0.00248 204 4XZ -0.00003 0.00001 0.00000 -0.00003 0.00009 205 4YZ -0.00000 0.00001 -0.00000 0.00001 -0.00439 206 19 O 1S -0.00002 0.00006 -0.00000 -0.00001 -0.04883 207 2S -0.00007 0.00026 -0.00004 -0.00006 0.10603 208 2PX -0.00001 -0.00003 -0.00003 0.00001 0.00183 209 2PY 0.00000 -0.00004 0.00001 0.00001 -0.05024 210 2PZ 0.00000 0.00004 0.00003 0.00000 0.00789 211 3S 0.00060 -0.00139 0.00039 0.00036 0.09436 212 3PX -0.00004 0.00020 0.00004 -0.00009 0.00703 213 3PY -0.00013 0.00049 -0.00018 -0.00008 -0.02111 214 3PZ -0.00002 -0.00029 -0.00007 -0.00003 0.00701 215 4XX -0.00005 0.00017 -0.00000 -0.00003 -0.00309 216 4YY -0.00004 0.00013 0.00002 -0.00004 0.00544 217 4ZZ -0.00003 0.00018 0.00000 -0.00004 -0.00170 218 4XY -0.00000 -0.00005 0.00001 0.00001 -0.00215 219 4XZ -0.00001 0.00001 0.00001 -0.00000 -0.00074 220 4YZ 0.00000 0.00006 0.00000 0.00001 -0.00240 221 20 H 1S 0.00012 0.00008 -0.00004 -0.00004 0.00529 222 2S 0.00012 0.00066 -0.00010 -0.00023 0.00151 223 21 H 1S -0.00013 -0.00002 0.00001 0.00009 0.00520 224 2S -0.00062 -0.00015 0.00010 0.00075 0.00141 225 22 H 1S -0.00020 -0.00004 0.00001 -0.00004 0.00126 226 2S -0.00038 0.00012 0.00016 -0.00007 -0.00101 227 23 H 1S 0.00011 -0.00008 -0.00001 -0.00050 0.00009 228 2S 0.00067 0.00040 -0.00006 0.00073 -0.00023 229 24 H 1S -0.00000 -0.00016 0.00001 -0.00003 0.00019 230 2S -0.00001 0.00025 0.00274 -0.00008 0.00105 231 25 H 1S 0.00001 -0.00015 0.00001 -0.00002 0.00008 232 2S 0.00004 0.00039 0.00268 -0.00004 -0.00002 233 26 H 1S -0.00001 -0.00010 0.00001 -0.00002 0.00008 234 2S -0.00006 -0.00030 0.00260 0.00019 0.00024 16 17 18 19 20 O O O O O Eigenvalues -- -1.06600 -1.03621 -0.89778 -0.80106 -0.78377 1 1 C 1S -0.00026 -0.00025 -0.02212 0.06664 0.04364 2 2S 0.00093 0.00089 0.04086 -0.12554 -0.08237 3 2PX 0.00008 -0.00002 0.00406 -0.00619 -0.00426 4 2PY 0.00017 -0.00001 -0.01772 0.03460 0.01464 5 2PZ -0.00016 -0.00029 -0.01245 0.02175 0.01834 6 3S -0.00533 -0.00255 0.02877 -0.10897 -0.07412 7 3PX -0.00070 0.00068 0.00015 0.00000 -0.00100 8 3PY -0.00094 -0.00042 -0.00114 0.00772 0.00225 9 3PZ 0.00127 0.00067 -0.00199 0.00261 0.00419 10 4XX -0.00001 0.00004 -0.00082 0.00149 0.00055 11 4YY 0.00008 0.00000 0.00185 -0.00277 -0.00035 12 4ZZ 0.00000 0.00005 0.00039 -0.00020 -0.00056 13 4XY -0.00002 -0.00002 -0.00073 0.00098 0.00036 14 4XZ -0.00002 -0.00008 -0.00049 0.00035 0.00049 15 4YZ 0.00003 0.00004 0.00217 -0.00281 -0.00159 16 2 C 1S -0.00079 -0.00076 -0.07600 0.10242 0.04667 17 2S 0.00227 0.00236 0.14367 -0.19677 -0.09019 18 2PX 0.00026 0.00063 0.01088 0.00855 0.00104 19 2PY 0.00034 -0.00045 -0.03806 0.01278 -0.04955 20 2PZ -0.00137 -0.00040 -0.02846 -0.01216 0.03373 21 3S -0.00834 -0.00542 0.07873 -0.12777 -0.06071 22 3PX -0.00059 -0.00168 0.00088 0.00105 -0.00062 23 3PY 0.00813 0.00139 0.00065 -0.00297 -0.00966 24 3PZ 0.00178 0.00340 -0.00209 0.00843 0.00995 25 4XX 0.00002 0.00023 -0.00709 0.01011 0.00394 26 4YY -0.00028 0.00016 0.00085 -0.00167 0.00402 27 4ZZ 0.00018 -0.00000 0.00197 0.00093 -0.00545 28 4XY 0.00012 0.00004 -0.00233 0.00230 0.00058 29 4XZ -0.00005 0.00003 -0.00051 -0.00088 0.00168 30 4YZ 0.00010 0.00009 0.00042 -0.00092 -0.00195 31 3 C 1S 0.00065 -0.00076 -0.06944 0.06354 -0.03979 32 2S -0.00201 0.00233 0.12982 -0.11956 0.07568 33 2PX -0.00052 0.00035 -0.00012 0.02370 0.00831 34 2PY 0.00121 0.00018 0.01393 -0.05802 -0.06548 35 2PZ 0.00071 -0.00077 -0.05286 0.01760 -0.02802 36 3S 0.00919 -0.00507 0.07586 -0.09207 0.05000 37 3PX -0.00178 -0.00034 0.00057 0.00451 0.00163 38 3PY 0.00300 0.00127 0.00049 -0.01116 -0.01300 39 3PZ -0.00643 0.00275 -0.00098 0.00119 -0.00189 40 4XX -0.00007 0.00021 -0.00663 0.00679 -0.00356 41 4YY 0.00016 0.00001 0.00154 -0.00238 -0.00082 42 4ZZ -0.00002 0.00016 0.00284 0.00090 0.00323 43 4XY -0.00001 0.00010 -0.00221 0.00197 -0.00083 44 4XZ 0.00007 0.00005 -0.00045 -0.00231 -0.00082 45 4YZ -0.00029 -0.00004 -0.00021 0.00440 0.00700 46 4 C 1S 0.00292 -0.00238 -0.08318 -0.01013 -0.11572 47 2S -0.00551 0.00320 0.15105 0.02080 0.22093 48 2PX -0.00374 0.00191 0.00026 0.05667 -0.02455 49 2PY -0.00070 -0.00036 0.04297 -0.01107 0.00382 50 2PZ 0.00050 -0.00029 -0.01785 -0.03486 -0.01333 51 3S -0.00083 0.00090 0.12245 0.00936 0.18889 52 3PX -0.00091 0.00336 -0.00429 0.00887 -0.00652 53 3PY -0.00331 0.00749 0.01736 -0.00822 0.00427 54 3PZ -0.00144 0.00656 -0.00972 -0.00548 -0.00585 55 4XX -0.00056 0.00017 -0.00116 0.00300 -0.00073 56 4YY -0.00002 0.00005 0.00049 -0.00284 -0.00263 57 4ZZ -0.00004 -0.00043 -0.00146 0.00024 -0.00201 58 4XY -0.00013 0.00009 0.00012 0.00412 -0.00106 59 4XZ 0.00033 0.00005 -0.00079 -0.00462 0.00297 60 4YZ 0.00017 0.00000 -0.00074 -0.00470 -0.00035 61 5 C 1S 0.01067 -0.00163 -0.08266 -0.11308 -0.02743 62 2S -0.01840 0.00403 0.15228 0.21408 0.05253 63 2PX -0.01362 0.00239 -0.02992 0.02843 -0.03437 64 2PY 0.00442 -0.00963 0.02900 0.03753 -0.06451 65 2PZ -0.01083 0.00651 0.01035 -0.01042 0.04724 66 3S 0.01854 -0.00416 0.11673 0.19218 0.05044 67 3PX 0.00076 -0.00558 0.00149 0.00672 -0.00917 68 3PY 0.01355 -0.01561 0.00798 0.01054 -0.00755 69 3PZ -0.00738 0.00213 0.00529 -0.00068 0.00667 70 4XX -0.00310 0.00166 -0.00089 -0.00394 0.00474 71 4YY 0.00156 -0.00139 0.00104 0.00182 -0.00735 72 4ZZ -0.00094 0.00206 -0.00230 -0.00365 0.00161 73 4XY -0.00000 -0.00237 -0.00040 0.00080 0.00368 74 4XZ -0.00333 0.00200 -0.00254 0.00084 -0.00499 75 4YZ -0.00041 -0.00086 -0.00103 0.00000 0.00230 76 6 C 1S -0.01055 -0.00083 -0.08464 -0.08737 0.09354 77 2S 0.01818 0.00256 0.15596 0.16563 -0.17768 78 2PX 0.00900 -0.00284 -0.02062 0.05835 0.00465 79 2PY 0.01583 0.01022 -0.01940 -0.04366 -0.04611 80 2PZ 0.00203 -0.00283 0.03250 0.01254 -0.00906 81 3S -0.01872 -0.00332 0.11917 0.14659 -0.17048 82 3PX -0.00748 -0.01048 0.00368 0.01152 -0.00126 83 3PY 0.01419 0.00835 0.00000 -0.00831 -0.00507 84 3PZ -0.00479 -0.00812 0.00929 0.00333 -0.00722 85 4XX 0.00157 -0.00057 -0.00010 -0.00501 -0.00208 86 4YY 0.00155 0.00296 -0.00121 0.00134 0.00672 87 4ZZ -0.00054 -0.00029 -0.00099 -0.00088 0.00060 88 4XY 0.00371 0.00244 -0.00211 -0.00053 0.00123 89 4XZ 0.00109 -0.00120 -0.00147 0.00392 0.00100 90 4YZ 0.00169 0.00104 -0.00212 -0.00426 -0.00318 91 7 C 1S -0.00309 -0.00221 -0.08834 0.04255 0.08468 92 2S 0.00577 0.00273 0.15987 -0.07949 -0.16328 93 2PX 0.00387 0.00137 0.01786 0.05144 -0.04211 94 2PY 0.00059 0.00065 -0.03823 -0.00038 -0.01405 95 2PZ -0.00048 -0.00068 0.02023 -0.05123 -0.00493 96 3S 0.00018 0.00178 0.13222 -0.06980 -0.13197 97 3PX 0.00203 0.00502 0.00377 0.00682 -0.00466 98 3PY -0.00089 0.00103 -0.02070 0.00776 -0.00601 99 3PZ 0.00361 0.00951 0.00733 -0.01091 0.00144 100 4XX 0.00065 0.00011 -0.00084 0.00709 -0.00105 101 4YY 0.00003 -0.00021 -0.00072 0.00053 0.00334 102 4ZZ -0.00010 -0.00019 -0.00072 -0.00530 0.00068 103 4XY -0.00009 0.00011 -0.00116 -0.00430 0.00341 104 4XZ -0.00023 0.00017 -0.00008 -0.00237 0.00179 105 4YZ -0.00007 -0.00025 -0.00105 0.00164 -0.00014 106 8 C 1S -0.00051 -0.00048 -0.05784 0.04483 -0.00918 107 2S -0.00039 0.00014 0.10777 -0.08465 0.01652 108 2PX 0.00033 0.00051 0.03348 -0.00569 -0.01563 109 2PY 0.00036 0.00025 0.00070 -0.00684 -0.06302 110 2PZ 0.00001 0.00006 0.02302 -0.01997 0.01003 111 3S 0.00633 0.00610 0.06749 -0.06739 0.01862 112 3PX 0.00214 0.00045 0.00167 0.00164 -0.00151 113 3PY 0.00024 0.00266 -0.00136 -0.00187 -0.01171 114 3PZ 0.00134 -0.00032 0.00163 -0.00339 0.00415 115 4XX -0.00009 -0.00008 0.00096 0.00101 -0.00329 116 4YY -0.00005 0.00007 0.00074 -0.00008 0.00244 117 4ZZ -0.00019 -0.00020 -0.00073 -0.00020 0.00029 118 4XY 0.00011 0.00021 0.00112 -0.00069 -0.00569 119 4XZ 0.00009 -0.00004 0.00233 -0.00107 -0.00027 120 4YZ -0.00001 0.00002 -0.00016 -0.00078 -0.00491 121 9 C 1S 0.00048 -0.00052 -0.05626 0.02449 -0.09311 122 2S 0.00040 0.00005 0.10478 -0.04590 0.17735 123 2PX -0.00038 0.00058 0.02644 0.01319 0.03654 124 2PY 0.00010 0.00004 0.02795 -0.02146 -0.00217 125 2PZ -0.00018 0.00012 0.01017 -0.00131 0.02838 126 3S -0.00592 0.00692 0.06651 -0.03926 0.14316 127 3PX -0.00184 0.00143 0.00097 0.00307 0.00483 128 3PY -0.00164 -0.00112 0.00304 -0.00335 -0.00339 129 3PZ -0.00069 0.00175 -0.00052 -0.00101 0.00386 130 4XX 0.00005 0.00005 0.00086 0.00254 0.00234 131 4YY 0.00011 -0.00019 0.00097 -0.00221 -0.00388 132 4ZZ 0.00017 -0.00011 -0.00080 0.00021 0.00024 133 4XY -0.00002 -0.00013 0.00108 0.00033 0.00087 134 4XZ -0.00014 0.00017 0.00221 0.00020 0.00284 135 4YZ 0.00002 -0.00008 -0.00022 0.00055 0.00168 136 10 H 1S 0.00002 0.00006 0.02280 -0.00802 0.05096 137 2S 0.00002 -0.00058 0.00216 0.00026 0.00918 138 11 H 1S 0.00007 -0.00013 0.02245 -0.01565 0.05139 139 2S -0.00012 -0.00085 0.00089 -0.00268 0.00912 140 12 H 1S -0.00007 -0.00009 0.02334 -0.02720 0.00414 141 2S -0.00001 -0.00089 0.00101 -0.00470 0.00080 142 13 H 1S -0.00001 0.00005 0.02354 -0.01913 0.00241 143 2S -0.00010 -0.00074 0.00240 -0.00184 0.00028 144 14 H 1S 0.00171 0.00125 0.03273 -0.02305 -0.05203 145 2S 0.00274 0.00311 0.00574 -0.00734 -0.00801 146 15 C 1S -0.08952 -0.03943 -0.00967 -0.02255 0.03305 147 2S 0.17131 0.08155 0.02044 0.04625 -0.06956 148 2PX 0.01386 -0.03078 -0.05159 -0.07002 0.06590 149 2PY 0.13682 0.17701 -0.03345 -0.04931 0.07118 150 2PZ -0.01137 -0.04147 -0.01617 -0.03613 0.02122 151 3S 0.05181 0.02271 0.00297 0.02714 -0.04139 152 3PX -0.01193 0.00438 0.00174 -0.00710 0.00902 153 3PY -0.06391 -0.02625 -0.00263 -0.01409 0.01222 154 3PZ 0.00465 0.00443 0.00118 -0.00374 0.00338 155 4XX -0.01534 -0.01407 0.00222 -0.00130 -0.00363 156 4YY 0.01289 0.01251 -0.00009 0.00247 0.00423 157 4ZZ -0.01588 -0.01036 -0.00023 -0.00226 0.00147 158 4XY 0.00321 0.01078 0.00561 0.00750 -0.00412 159 4XZ 0.00007 -0.00630 -0.00034 -0.00016 -0.00231 160 4YZ -0.00287 0.00347 0.00240 0.00325 -0.00263 161 16 O 1S 0.00427 0.09139 0.02890 0.04268 -0.01715 162 2S -0.00932 -0.20035 -0.06669 -0.09958 0.04008 163 2PX -0.00928 0.05013 -0.00791 -0.02921 0.02015 164 2PY 0.05503 0.01616 -0.00351 -0.01903 -0.02148 165 2PZ -0.02274 0.01886 -0.00430 -0.01768 0.01989 166 3S -0.01049 -0.22903 -0.07464 -0.12116 0.04984 167 3PX -0.00531 0.02933 -0.00442 -0.01306 0.00952 168 3PY 0.03179 0.01066 -0.00140 -0.00841 -0.00985 169 3PZ -0.01294 0.01378 -0.00097 -0.00785 0.00902 170 4XX 0.00242 -0.00001 0.00251 0.00454 -0.00325 171 4YY -0.00288 0.00636 -0.00161 -0.00158 0.00264 172 4ZZ 0.00087 0.00432 -0.00016 -0.00040 -0.00055 173 4XY -0.00625 -0.00236 0.00151 0.00378 0.00135 174 4XZ 0.00292 -0.00193 0.00077 0.00278 -0.00270 175 4YZ -0.00014 -0.00193 0.00125 0.00224 -0.00037 176 17 C 1S 0.08754 -0.04584 -0.00933 -0.03012 -0.01072 177 2S -0.16713 0.09401 0.01972 0.06243 0.02323 178 2PX -0.05975 0.04361 -0.05519 -0.09640 -0.01079 179 2PY 0.07667 -0.15512 -0.00876 -0.01458 0.01814 180 2PZ -0.07886 0.10587 -0.02616 -0.06176 -0.01155 181 3S -0.05093 0.02663 0.00267 0.03535 0.01574 182 3PX 0.03352 -0.00784 0.00049 -0.01238 -0.00302 183 3PY -0.03677 0.02322 0.00312 0.00344 -0.00227 184 3PZ 0.03838 -0.01850 -0.00152 -0.01224 -0.00078 185 4XX 0.00977 -0.00424 0.00471 0.00437 0.00143 186 4YY 0.00277 -0.01151 -0.00386 -0.00647 0.00030 187 4ZZ 0.00501 0.00260 0.00099 0.00087 -0.00246 188 4XY 0.00825 -0.01516 -0.00117 -0.00166 0.00519 189 4XZ -0.00895 0.01044 0.00312 0.00619 -0.00143 190 4YZ 0.01314 -0.00921 0.00169 0.00137 0.00234 191 18 O 1S 0.13215 -0.13768 0.01159 0.01688 0.01474 192 2S -0.28059 0.29761 -0.02640 -0.03899 -0.03261 193 2PX 0.04743 -0.05048 -0.00482 -0.01329 -0.00225 194 2PY -0.07540 0.06882 -0.00934 -0.01446 -0.00104 195 2PZ 0.07082 -0.06995 0.00318 -0.00273 0.00132 196 3S -0.30227 0.29369 -0.02309 -0.03542 -0.03863 197 3PX 0.01883 -0.02013 -0.00383 -0.00714 -0.00076 198 3PY -0.03237 0.02288 -0.00317 -0.00360 0.00021 199 3PZ 0.03078 -0.02551 0.00021 -0.00320 0.00088 200 4XX 0.00657 -0.00429 0.00120 0.00158 0.00098 201 4YY 0.00247 -0.00313 -0.00115 -0.00190 0.00083 202 4ZZ 0.00205 -0.00113 0.00003 0.00066 0.00051 203 4XY 0.00566 -0.00523 -0.00024 -0.00057 -0.00008 204 4XZ -0.00344 0.00410 0.00068 0.00162 0.00028 205 4YZ 0.00690 -0.00550 0.00084 0.00073 -0.00023 206 19 O 1S -0.14094 -0.12819 0.01232 0.00855 -0.02520 207 2S 0.29940 0.27730 -0.02802 -0.02016 0.05743 208 2PX -0.00810 -0.01198 -0.00854 -0.01281 0.01597 209 2PY -0.11983 -0.10116 0.00671 0.00075 -0.00151 210 2PZ 0.01147 0.00668 -0.00369 -0.00918 0.00649 211 3S 0.32184 0.27267 -0.02490 -0.01530 0.05893 212 3PX -0.00230 -0.00691 -0.00490 -0.00516 0.00724 213 3PY -0.05093 -0.03579 0.00096 -0.00272 0.00250 214 3PZ 0.00438 0.00122 -0.00150 -0.00379 0.00178 215 4XX -0.00984 -0.00685 0.00056 -0.00003 -0.00087 216 4YY 0.00631 0.00508 -0.00056 -0.00007 -0.00101 217 4ZZ -0.00826 -0.00610 0.00013 -0.00028 -0.00010 218 4XY 0.00094 0.00226 0.00157 0.00191 -0.00216 219 4XZ -0.00154 -0.00113 -0.00011 -0.00000 0.00002 220 4YZ -0.00141 -0.00027 0.00059 0.00121 -0.00072 221 20 H 1S 0.00437 0.00086 0.03504 0.04907 -0.05362 222 2S 0.00111 -0.00082 0.00409 0.00771 -0.01050 223 21 H 1S -0.00436 0.00118 0.03408 0.06325 0.01834 224 2S -0.00115 -0.00093 0.00383 0.01044 0.00495 225 22 H 1S -0.00156 0.00133 0.02986 0.00762 0.06428 226 2S -0.00240 0.00327 0.00496 -0.00063 0.01292 227 23 H 1S 0.00008 0.00021 0.02149 -0.02862 0.01943 228 2S 0.00175 -0.00032 -0.00097 -0.00477 0.00314 229 24 H 1S 0.00009 0.00010 0.00961 -0.03366 -0.02499 230 2S 0.00418 0.00250 -0.00025 -0.00453 -0.00338 231 25 H 1S 0.00032 0.00034 0.00956 -0.03468 -0.02449 232 2S 0.00036 0.00061 0.00005 -0.00513 -0.00430 233 26 H 1S 0.00017 0.00020 0.00908 -0.03387 -0.02051 234 2S -0.00027 -0.00059 0.00087 -0.00507 -0.00325 21 22 23 24 25 O O O O O Eigenvalues -- -0.76849 -0.70678 -0.69268 -0.64158 -0.62889 1 1 C 1S 0.06998 0.06968 -0.13320 0.01129 -0.02755 2 2S -0.13285 -0.13545 0.25808 -0.02227 0.05413 3 2PX -0.00782 0.00268 -0.00415 -0.00317 -0.00595 4 2PY 0.03041 -0.00347 0.01255 -0.00239 0.04034 5 2PZ 0.01002 0.00752 0.00457 -0.01151 -0.01670 6 3S -0.11992 -0.12508 0.25487 -0.02221 0.06137 7 3PX -0.00098 0.00178 -0.00051 0.00013 -0.00391 8 3PY 0.00775 -0.00295 0.00785 -0.00019 0.01769 9 3PZ -0.00187 0.00139 0.00288 -0.00495 -0.01448 10 4XX 0.00115 -0.00064 0.00151 -0.00019 0.00213 11 4YY -0.00237 0.00181 -0.00356 -0.00002 -0.00464 12 4ZZ 0.00062 -0.00040 -0.00021 0.00032 0.00139 13 4XY 0.00105 -0.00072 0.00131 0.00003 0.00165 14 4XZ 0.00038 -0.00039 0.00068 0.00012 -0.00003 15 4YZ -0.00118 0.00066 -0.00301 0.00110 -0.00068 16 2 C 1S 0.07501 0.00224 0.01578 -0.00790 0.03107 17 2S -0.14587 -0.00487 -0.03016 0.01636 -0.06208 18 2PX -0.01430 0.02711 -0.03124 -0.01406 -0.01239 19 2PY 0.01816 -0.08757 0.13289 0.00810 0.11371 20 2PZ -0.07577 -0.00302 0.07262 -0.04274 -0.11083 21 3S -0.10115 0.00169 -0.02816 0.01576 -0.05564 22 3PX -0.00345 0.00598 -0.00809 -0.00503 0.00245 23 3PY -0.00434 -0.01885 0.02724 0.00037 0.01319 24 3PZ 0.00160 -0.00294 0.00986 -0.01005 -0.01022 25 4XX 0.00645 0.00022 0.00193 -0.00074 0.00159 26 4YY -0.00520 0.00065 0.00412 -0.00222 -0.00245 27 4ZZ 0.00708 -0.00211 -0.00198 0.00277 0.00787 28 4XY 0.00404 -0.00008 -0.00018 0.00001 0.00072 29 4XZ 0.00110 -0.00010 -0.00171 0.00191 -0.00244 30 4YZ 0.00005 -0.00521 0.00819 0.00050 0.00438 31 3 C 1S 0.08425 -0.06194 0.06408 0.01902 0.07729 32 2S -0.16013 0.11998 -0.12458 -0.03793 -0.15126 33 2PX -0.00438 0.00071 -0.00406 0.01258 0.02609 34 2PY -0.03857 -0.01470 -0.01543 0.00841 -0.10103 35 2PZ 0.01390 -0.02255 0.03321 -0.01080 -0.04298 36 3S -0.13207 0.09335 -0.10045 -0.03855 -0.15576 37 3PX -0.00182 0.00219 -0.00452 0.00480 0.00636 38 3PY -0.00930 -0.00704 0.00777 0.00358 -0.02429 39 3PZ 0.00023 0.00168 0.00453 -0.00331 -0.01771 40 4XX 0.00784 -0.00626 0.00588 0.00206 0.00593 41 4YY -0.00219 -0.00147 0.00293 -0.00034 0.00273 42 4ZZ 0.00017 0.00222 -0.00217 -0.00060 0.00100 43 4XY 0.00304 -0.00043 0.00126 -0.00125 0.00085 44 4XZ 0.00143 -0.00000 0.00009 -0.00134 -0.00206 45 4YZ 0.00158 0.00031 0.00409 -0.00108 0.00752 46 4 C 1S 0.03121 -0.03697 -0.00401 0.00392 -0.08682 47 2S -0.06053 0.07235 0.00944 -0.01045 0.17533 48 2PX -0.04878 -0.03453 -0.02158 0.10979 0.02237 49 2PY -0.02985 0.02085 -0.05183 0.01564 -0.05523 50 2PZ -0.04275 0.04402 -0.06007 -0.01429 -0.04094 51 3S -0.05030 0.06168 0.00108 0.00049 0.17598 52 3PX -0.00807 -0.00558 -0.00040 0.03609 0.00462 53 3PY -0.00355 0.01186 -0.01797 0.01265 -0.01774 54 3PZ -0.00984 0.01276 -0.00312 -0.00485 -0.01280 55 4XX 0.00345 -0.00555 0.00479 0.00062 -0.00449 56 4YY -0.00342 0.00323 -0.00501 -0.00049 -0.00228 57 4ZZ 0.00112 -0.00080 0.00121 -0.00115 -0.00336 58 4XY -0.00067 -0.00226 0.00166 0.00153 0.00043 59 4XZ 0.00617 0.00139 0.00348 -0.00795 0.00023 60 4YZ -0.00322 0.00307 -0.00367 -0.00270 -0.00757 61 5 C 1S 0.04758 0.05711 -0.01651 -0.07677 0.00444 62 2S -0.08978 -0.11407 0.03395 0.15598 -0.00894 63 2PX -0.01970 -0.07745 -0.00606 0.02669 -0.12774 64 2PY 0.00485 0.01517 -0.01088 -0.07497 -0.06379 65 2PZ -0.03197 -0.00772 -0.03020 0.03560 0.01822 66 3S -0.09252 -0.10865 0.02778 0.15674 -0.01088 67 3PX -0.00580 -0.00835 -0.00047 0.02392 -0.04121 68 3PY -0.00397 -0.00877 -0.01637 -0.02997 -0.01923 69 3PZ -0.01007 0.01789 -0.00714 0.00648 0.00424 70 4XX 0.00089 -0.00283 -0.00178 -0.00181 0.00168 71 4YY 0.00290 0.00446 0.00202 -0.00692 -0.00070 72 4ZZ -0.00015 0.00173 -0.00084 0.00072 0.00148 73 4XY -0.00149 -0.00174 0.00104 -0.00156 -0.00064 74 4XZ 0.00150 -0.00486 -0.00081 -0.00076 -0.00660 75 4YZ -0.00214 -0.00519 -0.00105 0.00581 -0.00242 76 6 C 1S -0.01884 -0.03856 -0.01328 0.07930 -0.00107 77 2S 0.03793 0.07629 0.02735 -0.16143 0.00222 78 2PX -0.04209 0.03516 0.07490 -0.03636 -0.13215 79 2PY 0.02647 0.05662 -0.00835 -0.07600 0.02202 80 2PZ -0.01885 0.00444 -0.01257 0.03736 -0.00116 81 3S 0.02866 0.07469 0.02760 -0.16168 0.00368 82 3PX -0.01297 0.01044 0.01559 -0.02280 -0.03886 83 3PY -0.00181 -0.00807 -0.01737 -0.02979 0.00625 84 3PZ -0.00848 0.00449 -0.00596 0.02320 -0.00165 85 4XX 0.00442 0.00161 -0.00073 0.00434 0.00140 86 4YY -0.00346 -0.00538 0.00095 0.00652 0.00043 87 4ZZ -0.00086 0.00070 -0.00024 -0.00234 -0.00011 88 4XY 0.00031 0.00582 0.00359 -0.00426 -0.00351 89 4XZ -0.00163 0.00093 0.00426 0.00025 -0.00652 90 4YZ 0.00219 0.00352 -0.00012 -0.00359 0.00107 91 7 C 1S -0.06151 0.01224 0.05968 -0.03295 -0.08246 92 2S 0.11775 -0.02551 -0.11581 0.06823 0.16484 93 2PX -0.03425 0.04840 -0.00268 -0.09903 0.05033 94 2PY -0.03979 -0.00212 0.01406 -0.01176 0.05279 95 2PZ -0.06293 0.00649 -0.01613 0.01546 -0.00798 96 3S 0.10938 -0.01238 -0.11451 0.06029 0.18332 97 3PX -0.00704 0.00918 -0.00388 -0.03720 0.01288 98 3PY -0.00568 -0.00959 0.00953 -0.00089 0.02089 99 3PZ -0.00953 -0.00522 -0.00696 0.00037 0.00607 100 4XX 0.00181 0.00199 0.00371 -0.00537 -0.00589 101 4YY 0.00358 -0.00209 0.00154 0.00254 0.00059 102 4ZZ -0.00863 0.00021 0.00071 0.00027 -0.00472 103 4XY 0.00468 -0.00233 0.00117 0.00414 -0.00658 104 4XZ 0.00114 -0.00151 -0.00112 0.00462 -0.00220 105 4YZ 0.00253 -0.00233 0.00426 -0.00005 -0.00140 106 8 C 1S -0.12234 0.04622 -0.00942 -0.05497 0.07606 107 2S 0.23352 -0.08791 0.01921 0.10993 -0.15083 108 2PX 0.02106 0.00520 -0.02380 -0.00445 0.07246 109 2PY -0.01054 -0.00744 -0.06528 0.07735 0.05450 110 2PZ 0.00762 0.00581 -0.00654 -0.01084 0.01816 111 3S 0.19973 -0.09574 0.01502 0.10757 -0.15679 112 3PX 0.00446 -0.00538 -0.00448 -0.00733 0.02485 113 3PY -0.00175 -0.00427 -0.01648 0.01959 0.01381 114 3PZ -0.00138 0.00236 -0.00203 -0.00641 0.00263 115 4XX -0.00050 0.00016 -0.00257 0.00180 0.00330 116 4YY -0.00033 0.00104 0.00302 -0.00568 0.00403 117 4ZZ -0.00139 0.00040 -0.00003 0.00096 -0.00250 118 4XY -0.00019 0.00003 -0.00445 0.00167 0.00573 119 4XZ 0.00005 0.00075 -0.00178 -0.00021 0.00369 120 4YZ -0.00090 -0.00100 -0.00384 0.00516 0.00136 121 9 C 1S -0.07816 0.00286 -0.07389 0.07510 0.01580 122 2S 0.14845 -0.00743 0.14312 -0.14945 -0.03074 123 2PX -0.02313 0.02016 -0.00540 0.00511 0.09545 124 2PY 0.04385 -0.01625 -0.01886 0.05076 -0.05290 125 2PZ -0.03515 0.03329 -0.01430 -0.02612 0.05608 126 3S 0.12966 0.00364 0.14562 -0.14934 -0.03423 127 3PX -0.00292 0.00821 0.00421 0.00666 0.02629 128 3PY 0.00887 -0.00324 -0.00597 0.01705 -0.01773 129 3PZ -0.00675 0.00929 -0.00466 -0.00523 0.01294 130 4XX -0.00435 0.00156 -0.00008 0.00056 0.00638 131 4YY 0.00509 -0.00316 -0.00189 0.00500 -0.00562 132 4ZZ -0.00232 0.00119 -0.00068 -0.00162 0.00020 133 4XY -0.00110 0.00146 -0.00052 -0.00210 0.00225 134 4XZ -0.00259 0.00210 -0.00227 0.00256 0.00440 135 4YZ -0.00330 0.00191 0.00048 -0.00359 0.00288 136 10 H 1S 0.04482 -0.00679 0.05854 -0.06014 -0.00836 137 2S 0.00935 -0.00374 0.01776 -0.01991 -0.00583 138 11 H 1S 0.04170 0.00084 0.05028 -0.06874 -0.02365 139 2S 0.00913 0.00014 0.01659 -0.02405 -0.01155 140 12 H 1S 0.06701 -0.03253 0.00676 0.05040 -0.07496 141 2S 0.01377 -0.01154 0.00520 0.01669 -0.02828 142 13 H 1S 0.07221 -0.03209 0.01048 0.04263 -0.06544 143 2S 0.01505 -0.00789 0.00431 0.01248 -0.02764 144 14 H 1S 0.03396 -0.01437 -0.03177 0.02547 0.07927 145 2S 0.00489 -0.00645 -0.00947 0.00611 0.03010 146 15 C 1S -0.00585 -0.08095 -0.05167 -0.00482 0.03144 147 2S 0.01233 0.17706 0.11225 0.01415 -0.06847 148 2PX 0.00773 0.05355 0.04216 0.19204 0.03184 149 2PY -0.01079 -0.13212 -0.08671 -0.00309 0.05782 150 2PZ 0.00145 0.03769 0.01717 0.10566 0.02784 151 3S 0.01519 0.12510 0.08781 0.00817 -0.04589 152 3PX -0.00490 -0.01503 -0.00943 0.02774 0.01011 153 3PY -0.00190 -0.02127 -0.01844 0.00927 0.03112 154 3PZ -0.00346 -0.00658 -0.00546 0.01210 0.00684 155 4XX 0.00225 0.00763 0.00215 0.00355 0.00599 156 4YY -0.00284 -0.01649 -0.00751 -0.00501 -0.00329 157 4ZZ -0.00013 -0.00418 -0.00348 -0.00144 0.00289 158 4XY -0.00122 -0.00526 -0.00306 -0.01012 -0.00250 159 4XZ 0.00229 0.00997 0.00563 0.00449 0.00111 160 4YZ 0.00007 -0.00072 -0.00008 -0.00476 -0.00047 161 16 O 1S -0.01243 -0.00451 0.01003 -0.00537 -0.03713 162 2S 0.02907 0.01066 -0.02360 0.01273 0.08803 163 2PX 0.00810 -0.05184 -0.04944 -0.04122 0.08037 164 2PY 0.02493 0.27083 0.16470 0.24610 0.01978 165 2PZ -0.00526 -0.10957 -0.08807 -0.09754 0.05063 166 3S 0.03699 0.01430 -0.03280 0.01801 0.12589 167 3PX 0.00495 -0.02531 -0.02266 -0.01909 0.04212 168 3PY 0.01181 0.12998 0.07808 0.11643 0.01046 169 3PZ -0.00289 -0.05235 -0.04250 -0.04575 0.02578 170 4XX -0.00127 0.00570 0.00464 0.00230 -0.00673 171 4YY -0.00048 -0.01010 -0.00623 -0.00442 0.00206 172 4ZZ 0.00072 0.00416 0.00237 0.00161 0.00082 173 4XY -0.00284 -0.01581 -0.00782 -0.00869 -0.00419 174 4XZ 0.00038 0.00760 0.00643 0.00339 -0.00507 175 4YZ -0.00093 -0.00333 -0.00086 -0.00122 -0.00221 176 17 C 1S 0.02199 0.08841 0.03489 0.01430 0.03185 177 2S -0.04676 -0.19186 -0.07826 -0.03435 -0.06901 178 2PX 0.05275 0.01785 -0.03910 -0.14247 0.07282 179 2PY -0.00644 -0.12164 -0.09149 -0.14026 0.01113 180 2PZ 0.03249 0.09592 0.01336 -0.02346 0.05747 181 3S -0.02432 -0.14179 -0.04982 -0.02364 -0.04592 182 3PX 0.00663 0.02757 -0.00037 -0.02004 0.02272 183 3PY -0.00366 -0.00381 -0.00280 -0.01484 -0.01046 184 3PZ 0.00576 0.02549 -0.00019 -0.00293 0.02375 185 4XX -0.00235 0.00115 0.00125 0.00471 0.00242 186 4YY 0.00277 0.00197 -0.00180 -0.00606 0.00381 187 4ZZ 0.00123 0.01087 0.00695 0.00583 -0.00092 188 4XY -0.00145 -0.01501 -0.00926 -0.00722 0.00520 189 4XZ -0.00129 0.00014 0.00356 0.00452 -0.00310 190 4YZ -0.00184 -0.00460 -0.00222 0.00220 0.00200 191 18 O 1S -0.01546 -0.05317 -0.02381 -0.00637 -0.00614 192 2S 0.03570 0.11848 0.05194 0.01272 0.01787 193 2PX 0.00908 -0.00030 -0.01004 -0.04634 0.01793 194 2PY 0.00568 -0.02372 -0.02606 -0.04988 0.00999 195 2PZ 0.00071 0.01914 0.00351 -0.00557 0.01303 196 3S 0.03469 0.14433 0.07069 0.02163 -0.00008 197 3PX 0.00576 -0.00298 -0.00564 -0.02322 0.01181 198 3PY 0.00068 -0.01750 -0.01380 -0.02518 -0.00025 199 3PZ 0.00186 0.01067 0.00148 -0.00346 0.01103 200 4XX -0.00119 -0.00099 -0.00009 0.00324 0.00027 201 4YY 0.00059 -0.00435 -0.00403 -0.00588 0.00278 202 4ZZ -0.00034 -0.00354 -0.00126 0.00019 -0.00014 203 4XY 0.00065 0.00107 0.00057 -0.00069 0.00118 204 4XZ -0.00104 -0.00143 0.00032 0.00324 -0.00170 205 4YZ -0.00008 0.00351 0.00227 0.00285 0.00016 206 19 O 1S 0.00724 0.05113 0.02816 0.00440 -0.00529 207 2S -0.01544 -0.11316 -0.06303 -0.00718 0.01524 208 2PX 0.00107 0.01452 0.01245 0.06377 0.00587 209 2PY -0.00112 -0.02801 -0.01826 -0.00846 0.01066 210 2PZ -0.00070 0.00829 0.00447 0.03660 0.01147 211 3S -0.02092 -0.14239 -0.07743 -0.02091 -0.00118 212 3PX 0.00211 0.01140 0.00828 0.03178 0.00214 213 3PY 0.00007 -0.01644 -0.01066 -0.00194 0.01251 214 3PZ 0.00001 0.00601 0.00433 0.01855 0.00492 215 4XX 0.00052 0.00106 0.00007 -0.00021 0.00173 216 4YY 0.00085 0.00738 0.00396 0.00222 -0.00066 217 4ZZ 0.00038 0.00110 0.00035 0.00123 0.00132 218 4XY -0.00031 -0.00126 -0.00121 -0.00632 -0.00087 219 4XZ 0.00025 0.00047 0.00011 0.00015 0.00014 220 4YZ -0.00002 -0.00123 -0.00056 -0.00373 -0.00107 221 20 H 1S 0.01845 0.02452 0.01600 -0.07533 -0.00171 222 2S 0.00433 0.00569 0.00311 -0.02403 -0.00266 223 21 H 1S -0.02340 -0.04668 0.02325 0.06993 -0.00017 224 2S -0.00473 -0.01078 0.00691 0.02179 0.00000 225 22 H 1S -0.01956 0.02284 0.00844 -0.00282 0.07904 226 2S -0.00243 0.01034 0.00043 0.00202 0.03014 227 23 H 1S -0.04545 0.03503 -0.03136 -0.01924 -0.06784 228 2S -0.00989 0.00683 -0.00497 -0.00751 -0.02288 229 24 H 1S -0.03742 -0.04646 0.09075 -0.00902 0.03242 230 2S -0.00664 -0.01412 0.02112 -0.00458 0.01154 231 25 H 1S -0.03692 -0.04844 0.09237 -0.00583 0.03062 232 2S -0.00541 -0.01390 0.02623 -0.00032 0.00990 233 26 H 1S -0.04101 -0.04268 0.08979 -0.01292 0.00976 234 2S -0.00758 -0.01062 0.02405 -0.00484 0.00393 26 27 28 29 30 O O O O O Eigenvalues -- -0.58754 -0.57212 -0.53457 -0.50792 -0.49497 1 1 C 1S 0.04801 -0.00773 -0.02172 -0.00015 -0.02069 2 2S -0.09560 0.01520 0.04320 0.00046 0.04240 3 2PX 0.01636 -0.00610 0.00136 0.02973 -0.04690 4 2PY -0.05538 0.03488 0.05517 0.00292 0.11491 5 2PZ -0.06535 -0.01435 0.03629 0.04534 0.06246 6 3S -0.10808 0.01915 0.05439 -0.00076 0.04834 7 3PX 0.00416 -0.00033 -0.00035 0.01067 -0.02089 8 3PY -0.01744 0.01390 0.01870 -0.00649 0.04686 9 3PZ -0.02173 -0.01240 0.01691 0.01789 0.01963 10 4XX -0.00263 0.00172 0.00253 -0.00095 0.00488 11 4YY 0.00364 -0.00315 -0.00229 0.00017 -0.00521 12 4ZZ 0.00010 0.00065 0.00013 0.00062 0.00134 13 4XY -0.00164 0.00124 0.00120 0.00001 0.00240 14 4XZ -0.00169 0.00003 -0.00006 -0.00087 0.00240 15 4YZ 0.00678 -0.00067 -0.00305 -0.00310 -0.00631 16 2 C 1S -0.07881 0.02982 0.01536 0.03299 0.05631 17 2S 0.16193 -0.06291 -0.03474 -0.06995 -0.11789 18 2PX 0.00851 -0.01138 0.03892 0.05246 -0.02353 19 2PY 0.00108 0.07049 -0.03571 0.00301 -0.04792 20 2PZ -0.09913 -0.06569 -0.02707 0.07833 -0.06802 21 3S 0.14327 -0.04114 -0.03623 -0.06103 -0.11656 22 3PX 0.00379 -0.00002 0.01858 0.02932 -0.01262 23 3PY 0.00950 0.00555 -0.01022 -0.00061 -0.02316 24 3PZ -0.02549 -0.01182 -0.00876 0.01259 -0.01231 25 4XX -0.00592 0.00289 0.00219 0.00268 0.00287 26 4YY -0.00738 -0.00046 0.00165 -0.00064 0.00450 27 4ZZ 0.00091 0.00354 -0.00323 0.00479 0.00479 28 4XY 0.00052 0.00089 -0.00146 -0.00051 0.00082 29 4XZ -0.00097 0.00020 -0.00285 -0.00174 0.00064 30 4YZ -0.00082 -0.00011 0.00694 -0.00584 0.00174 31 3 C 1S 0.05269 0.01159 0.02748 -0.04067 -0.02274 32 2S -0.10813 -0.02320 -0.05661 0.07951 0.04935 33 2PX -0.03238 0.03073 0.03110 0.03561 -0.01337 34 2PY 0.12250 -0.11837 0.00924 0.00442 -0.11322 35 2PZ -0.06065 -0.00128 -0.11596 0.16584 -0.01787 36 3S -0.09701 -0.02028 -0.06647 0.10242 0.02965 37 3PX -0.01023 0.01169 0.01578 0.01779 -0.01198 38 3PY 0.03066 -0.03725 0.00997 0.00690 -0.03868 39 3PZ -0.02818 -0.00535 -0.03981 0.05958 0.00505 40 4XX 0.00396 0.00198 0.00261 -0.00298 -0.00152 41 4YY 0.00310 0.00047 -0.00185 -0.00491 -0.00705 42 4ZZ -0.00459 0.00110 -0.00066 0.00369 0.00479 43 4XY 0.00135 0.00019 0.00082 0.00120 0.00217 44 4XZ 0.00237 -0.00129 -0.00305 -0.00197 0.00233 45 4YZ -0.00692 0.00549 0.00170 -0.00345 0.00251 46 4 C 1S 0.05034 -0.04434 -0.00316 0.04505 0.01943 47 2S -0.10460 0.09568 0.00711 -0.09275 -0.04705 48 2PX -0.04948 0.00073 0.02992 0.03699 -0.12549 49 2PY -0.01479 -0.05060 0.13318 -0.01633 0.10186 50 2PZ -0.10333 0.10809 -0.05720 0.01229 0.08168 51 3S -0.11274 0.07961 -0.00322 -0.12156 -0.02089 52 3PX -0.01622 0.00167 -0.00280 0.00798 -0.04247 53 3PY 0.00308 -0.03550 0.05500 -0.00842 0.06823 54 3PZ -0.04003 0.04225 -0.02201 0.01958 0.02295 55 4XX 0.00904 -0.00039 -0.00190 0.00353 0.00159 56 4YY -0.00299 0.00246 0.00052 -0.00172 -0.00063 57 4ZZ -0.00160 -0.00480 -0.00276 0.00535 -0.00149 58 4XY 0.00257 -0.00122 0.00315 0.00466 -0.00119 59 4XZ 0.00430 0.00372 -0.00041 0.00120 0.00281 60 4YZ -0.00053 -0.00002 -0.00246 0.00411 0.00502 61 5 C 1S -0.01743 0.04567 0.00154 -0.00682 0.01439 62 2S 0.03787 -0.09339 -0.00474 0.01463 -0.02917 63 2PX 0.07028 0.10274 -0.13328 0.04307 0.10447 64 2PY -0.00223 0.00984 0.14161 0.00674 0.13472 65 2PZ -0.00102 0.17377 0.08693 0.04600 0.00392 66 3S 0.02514 -0.09792 -0.00277 0.01504 -0.05706 67 3PX 0.01878 0.02779 -0.06122 -0.00760 0.05074 68 3PY -0.00929 0.00817 0.05848 -0.00613 0.05281 69 3PZ -0.00698 0.07303 0.05091 0.02064 -0.00325 70 4XX 0.00149 0.00626 -0.00174 -0.00169 0.00397 71 4YY -0.00109 -0.00324 0.00131 -0.00187 -0.00170 72 4ZZ -0.00406 -0.00005 -0.00420 0.00180 -0.00328 73 4XY 0.00027 0.00856 -0.00051 -0.00288 -0.00298 74 4XZ 0.00433 0.00355 -0.00049 0.00740 0.00646 75 4YZ 0.00541 -0.00055 -0.00249 0.00201 -0.00244 76 6 C 1S 0.03668 0.03796 -0.00851 -0.00817 -0.00775 77 2S -0.07748 -0.07645 0.01677 0.01542 0.01474 78 2PX 0.01265 0.08858 -0.03169 -0.15737 -0.05927 79 2PY -0.00103 0.15706 -0.06245 0.00802 -0.09074 80 2PZ 0.09536 0.09575 0.15831 0.01740 -0.00754 81 3S -0.07157 -0.08688 0.01656 0.03960 0.03154 82 3PX 0.01118 0.01864 -0.02628 -0.07647 -0.00270 83 3PY 0.00344 0.05610 -0.02062 0.00460 -0.03332 84 3PZ 0.05160 0.03938 0.07160 0.01975 -0.00177 85 4XX 0.00173 0.00830 -0.00355 0.00004 0.00396 86 4YY 0.00318 -0.00272 -0.00075 -0.00124 -0.00538 87 4ZZ -0.00258 -0.00354 -0.00208 0.00104 -0.00006 88 4XY -0.00251 0.00298 0.00351 -0.00852 -0.00791 89 4XZ -0.00043 0.00630 0.00154 0.00033 -0.00096 90 4YZ 0.00120 0.00427 -0.00339 0.00084 -0.00497 91 7 C 1S -0.02635 -0.02804 0.03463 -0.03149 -0.03481 92 2S 0.05447 0.06027 -0.07240 0.07400 0.07272 93 2PX 0.02603 -0.04377 0.06102 0.10284 -0.01505 94 2PY 0.04412 0.09172 -0.13807 0.05180 -0.05119 95 2PZ 0.15930 0.00697 0.04630 -0.13372 -0.03378 96 3S 0.05959 0.05279 -0.09243 0.03943 0.09440 97 3PX 0.00603 -0.01958 0.01697 0.02084 -0.00321 98 3PY 0.01561 0.04975 -0.06781 0.04541 -0.02765 99 3PZ 0.04668 0.00196 0.02663 -0.06297 -0.01358 100 4XX -0.00737 0.00053 0.00395 0.00059 -0.00313 101 4YY -0.00305 0.00090 -0.00215 0.00407 0.00352 102 4ZZ 0.00766 -0.00287 -0.00183 -0.00555 -0.00657 103 4XY -0.00255 0.00389 -0.00020 -0.00602 -0.00250 104 4XZ 0.00021 0.00339 0.00264 0.00014 -0.00270 105 4YZ -0.00494 -0.00253 0.00213 0.00087 -0.00226 106 8 C 1S 0.06887 -0.01530 -0.01966 0.02414 0.02546 107 2S -0.13889 0.03058 0.04145 -0.04912 -0.05222 108 2PX 0.02031 -0.04878 0.02034 0.05852 0.08229 109 2PY -0.06462 0.04587 -0.05450 -0.03754 0.01484 110 2PZ 0.08204 0.00667 0.01094 -0.08751 0.11013 111 3S -0.14955 0.04174 0.03995 -0.05353 -0.06672 112 3PX 0.00606 -0.01909 0.00421 0.02977 0.03483 113 3PY -0.02429 0.01915 -0.02007 -0.01968 0.00142 114 3PZ 0.03401 0.00239 -0.00041 -0.03621 0.04511 115 4XX -0.00233 -0.00018 0.00082 -0.00121 0.00124 116 4YY 0.00988 0.00062 -0.00485 0.00590 0.00356 117 4ZZ -0.00244 0.00054 0.00055 -0.00018 -0.00493 118 4XY 0.00050 0.00120 -0.00357 0.00457 0.00497 119 4XZ 0.00397 -0.00094 0.00220 -0.00098 0.00353 120 4YZ -0.00193 0.00149 -0.00151 -0.00194 -0.00275 121 9 C 1S -0.07974 0.00685 0.01397 -0.03356 -0.02055 122 2S 0.16089 -0.01436 -0.02692 0.06875 0.04176 123 2PX -0.02845 -0.02330 0.02927 -0.05307 -0.04817 124 2PY -0.06958 -0.01257 0.09561 -0.09913 0.03513 125 2PZ -0.00256 0.04767 -0.02502 -0.09030 0.09976 126 3S 0.17022 -0.00730 -0.03948 0.08563 0.04883 127 3PX -0.01191 -0.01129 0.00779 -0.01624 -0.02484 128 3PY -0.02950 -0.00393 0.03430 -0.04304 0.00901 129 3PZ -0.00067 0.02029 -0.01290 -0.03629 0.04652 130 4XX -0.00140 0.00095 -0.00050 -0.00313 -0.00214 131 4YY -0.00355 -0.00035 0.00319 -0.00078 -0.00119 132 4ZZ -0.00149 0.00213 -0.00318 0.00317 -0.00072 133 4XY 0.00237 -0.00154 0.00195 0.00081 0.00572 134 4XZ -0.00716 0.00289 0.00267 -0.00723 -0.00256 135 4YZ 0.00585 -0.00139 -0.00135 0.00294 0.00031 136 10 H 1S 0.08351 -0.02103 -0.03543 0.09690 -0.03907 137 2S 0.03606 -0.01376 -0.02468 0.05944 -0.03339 138 11 H 1S 0.08130 0.01686 -0.04585 0.04290 0.06168 139 2S 0.03314 0.00735 -0.02911 0.02589 0.03539 140 12 H 1S -0.06110 0.04062 -0.00003 -0.06835 -0.04493 141 2S -0.02729 0.01907 -0.00479 -0.03947 -0.02570 142 13 H 1S -0.09191 0.00680 0.01062 0.02620 -0.08468 143 2S -0.04192 -0.00118 -0.00060 0.02170 -0.05571 144 14 H 1S 0.01105 0.06607 -0.10707 0.06847 0.01593 145 2S -0.00103 0.02740 -0.05108 0.02917 0.01431 146 15 C 1S -0.00876 -0.05694 0.00024 0.02506 0.04735 147 2S 0.02110 0.12754 -0.00166 -0.05685 -0.10897 148 2PX 0.01464 -0.11318 -0.05471 0.03587 0.14051 149 2PY -0.01342 -0.06870 -0.00232 0.04315 -0.09316 150 2PZ 0.04703 0.00430 0.11492 0.16697 0.00834 151 3S -0.00106 0.09927 0.00028 -0.04399 -0.11454 152 3PX 0.00339 -0.04365 -0.02659 0.00375 0.05960 153 3PY -0.00313 -0.04017 -0.00664 0.03103 0.00237 154 3PZ 0.01411 0.00310 0.04637 0.06612 -0.00931 155 4XX -0.00087 -0.00726 -0.00399 0.00347 0.00679 156 4YY 0.00036 -0.00079 0.00292 -0.00333 0.00907 157 4ZZ -0.00187 -0.00401 0.00231 0.00612 0.00015 158 4XY -0.00203 -0.00007 0.00467 -0.00102 -0.00375 159 4XZ -0.00165 -0.00183 -0.00038 0.00552 -0.00041 160 4YZ -0.00210 -0.00319 -0.00350 -0.00241 -0.00220 161 16 O 1S 0.01603 0.04663 0.01022 -0.00355 0.00882 162 2S -0.03825 -0.11083 -0.02276 0.01041 -0.02112 163 2PX -0.06040 -0.17278 -0.10622 -0.07235 -0.04317 164 2PY 0.03169 -0.05227 0.01565 0.13473 0.01730 165 2PZ -0.02739 -0.00857 0.15015 0.15097 -0.17037 166 3S -0.05405 -0.15821 -0.04089 0.00661 -0.03089 167 3PX -0.03299 -0.09877 -0.06169 -0.04065 -0.02204 168 3PY 0.01359 -0.02797 0.01368 0.07336 -0.00333 169 3PZ -0.01237 -0.00282 0.09195 0.09856 -0.09937 170 4XX 0.00465 0.01398 0.01095 0.00717 -0.00062 171 4YY -0.00134 -0.00397 -0.00371 -0.00115 -0.00134 172 4ZZ -0.00162 -0.00445 -0.00548 -0.00492 0.00139 173 4XY 0.00082 0.00646 0.00025 -0.00267 0.00503 174 4XZ 0.00172 0.00318 -0.00744 -0.01031 0.00775 175 4YZ 0.00101 0.00116 -0.00346 -0.00394 0.00486 176 17 C 1S -0.02017 -0.05351 0.01220 -0.02420 -0.01771 177 2S 0.04393 0.12063 -0.02733 0.05314 0.03760 178 2PX -0.06401 -0.11338 -0.02530 -0.11609 -0.06773 179 2PY -0.03074 0.02221 0.10061 -0.02803 -0.04596 180 2PZ -0.04037 -0.01687 0.11316 0.07978 -0.10175 181 3S 0.04026 0.08567 -0.03054 0.06873 0.02739 182 3PX -0.02451 -0.04750 -0.01772 -0.05800 -0.02951 183 3PY -0.00130 0.01445 0.03370 0.00904 -0.00539 184 3PZ -0.01945 -0.01395 0.04361 0.02506 -0.05364 185 4XX -0.00134 -0.00560 0.00091 -0.00361 -0.00191 186 4YY -0.00208 -0.00079 0.00470 -0.00119 -0.00355 187 4ZZ 0.00020 -0.00518 -0.00185 -0.00199 0.00182 188 4XY -0.00389 -0.00354 -0.00436 -0.00221 -0.00724 189 4XZ 0.00318 -0.00111 0.00187 0.00300 -0.00009 190 4YZ 0.00011 -0.00229 0.00046 0.00637 -0.00690 191 18 O 1S 0.00461 0.02137 -0.01315 0.02149 -0.00749 192 2S -0.01177 -0.05235 0.02898 -0.04795 0.01079 193 2PX -0.02049 -0.06244 0.00336 -0.10100 -0.00975 194 2PY -0.01334 0.01051 0.03378 0.04220 -0.06235 195 2PZ -0.01725 -0.01156 0.08194 0.00009 -0.02673 196 3S -0.00687 -0.04961 0.05035 -0.07727 0.05495 197 3PX -0.00955 -0.03490 0.00253 -0.05102 -0.00946 198 3PY -0.00381 0.01079 0.01898 0.02134 -0.02560 199 3PZ -0.01113 -0.01091 0.03996 0.00097 -0.02063 200 4XX 0.00050 0.00240 -0.00003 0.00523 -0.00149 201 4YY -0.00198 -0.00059 0.00380 0.00226 -0.00715 202 4ZZ 0.00101 -0.00117 -0.00753 -0.00214 0.00130 203 4XY -0.00075 -0.00381 -0.00225 -0.00569 0.00061 204 4XZ 0.00190 0.00326 -0.00274 0.00422 0.00147 205 4YZ 0.00004 -0.00088 0.00234 -0.00008 0.00073 206 19 O 1S 0.00143 0.02280 -0.00758 -0.00636 -0.05075 207 2S -0.00462 -0.05567 0.01581 0.01664 0.11009 208 2PX 0.00297 -0.05975 -0.01988 0.01045 0.10048 209 2PY -0.00151 -0.04016 0.02311 0.03599 0.18329 210 2PZ 0.02076 0.00147 0.06342 0.09879 -0.02401 211 3S 0.00242 -0.05407 0.03353 0.01104 0.19747 212 3PX 0.00014 -0.03002 -0.00824 0.00541 0.05079 213 3PY -0.00420 -0.02834 0.00912 0.02414 0.09117 214 3PZ 0.01045 0.00163 0.03263 0.05100 -0.01247 215 4XX -0.00055 -0.00086 -0.00072 0.00126 -0.00125 216 4YY -0.00004 0.00324 -0.00315 -0.00320 -0.01491 217 4ZZ -0.00032 -0.00155 0.00073 0.00248 0.00004 218 4XY -0.00017 0.00519 0.00209 -0.00079 -0.00838 219 4XZ -0.00046 -0.00060 -0.00096 -0.00032 0.00005 220 4YZ -0.00204 -0.00075 -0.00567 -0.00818 0.00236 221 20 H 1S -0.07679 -0.08004 -0.07678 -0.00443 0.00871 222 2S -0.03473 -0.04244 -0.04665 0.00084 0.00077 223 21 H 1S 0.02196 -0.09494 -0.09860 -0.00812 -0.05834 224 2S 0.00876 -0.04880 -0.05828 -0.00292 -0.04255 225 22 H 1S -0.05877 0.07954 -0.06532 -0.02626 -0.06029 226 2S -0.02199 0.03245 -0.03580 -0.01295 -0.02526 227 23 H 1S -0.08225 0.00061 -0.08114 0.12350 0.02643 228 2S -0.03956 0.00405 -0.04474 0.07774 0.01476 229 24 H 1S -0.04354 0.01778 0.03451 0.00830 0.03741 230 2S -0.01692 0.00852 0.02209 0.01433 0.02629 231 25 H 1S -0.04717 0.01683 0.02333 -0.01904 0.05757 232 2S -0.02229 0.01050 0.00980 -0.01281 0.03596 233 26 H 1S -0.06352 -0.00312 0.02993 0.02637 0.04166 234 2S -0.03048 0.00028 0.01022 0.02175 0.02818 31 32 33 34 35 O O O O O Eigenvalues -- -0.48229 -0.46326 -0.46165 -0.44984 -0.43276 1 1 C 1S 0.01243 0.00097 0.00776 -0.00108 -0.00127 2 2S -0.02315 -0.00229 -0.01417 0.00210 0.00122 3 2PX 0.01722 -0.04802 0.01710 0.08114 -0.05581 4 2PY -0.05169 0.02536 -0.09020 0.08087 -0.05706 5 2PZ -0.05825 -0.03511 -0.08238 -0.06040 -0.01552 6 3S -0.04342 -0.00408 -0.01756 0.00395 0.01820 7 3PX 0.00392 -0.01945 0.00399 0.03436 -0.02198 8 3PY -0.02757 0.00949 -0.04358 0.03989 -0.01943 9 3PZ -0.02687 -0.02116 -0.02897 -0.03417 -0.00186 10 4XX -0.00179 0.00226 -0.00259 0.00287 -0.00084 11 4YY 0.00222 -0.00160 0.00408 -0.00062 0.00027 12 4ZZ -0.00069 -0.00087 -0.00210 -0.00208 -0.00074 13 4XY -0.00091 0.00014 -0.00187 0.00347 -0.00326 14 4XZ -0.00085 0.00167 -0.00096 -0.00350 0.00170 15 4YZ 0.00373 0.00064 0.00607 -0.00026 0.00198 16 2 C 1S -0.01506 0.01202 -0.04957 0.00703 -0.01838 17 2S 0.03179 -0.02862 0.10295 -0.01653 0.04086 18 2PX -0.01263 -0.05930 -0.01385 0.08906 -0.02338 19 2PY 0.07154 0.02753 0.05095 0.05569 -0.00226 20 2PZ 0.01273 -0.04955 0.02823 -0.08036 0.03175 21 3S 0.04205 -0.01555 0.12911 -0.00318 0.04313 22 3PX -0.00106 -0.02275 -0.00341 0.04435 -0.01733 23 3PY 0.01999 -0.00346 0.01644 0.00957 0.00610 24 3PZ 0.00300 -0.00948 -0.02006 -0.01654 -0.00675 25 4XX -0.00079 0.00120 -0.00347 0.00145 -0.00089 26 4YY -0.00257 0.00022 -0.00115 0.00100 0.00114 27 4ZZ 0.00037 0.00012 -0.00586 -0.00111 -0.00219 28 4XY 0.00016 0.00175 -0.00116 -0.00141 -0.00297 29 4XZ 0.00097 0.00157 -0.00027 -0.00288 -0.00040 30 4YZ -0.00288 -0.00095 0.00299 -0.00120 0.00181 31 3 C 1S 0.00113 -0.00582 0.03244 -0.00794 0.01220 32 2S -0.00401 0.00894 -0.06669 0.01746 -0.02757 33 2PX 0.00494 -0.02898 -0.00071 0.09174 0.01096 34 2PY -0.00979 -0.07757 0.04624 -0.07269 0.03263 35 2PZ 0.07586 0.02787 -0.08539 -0.01488 -0.08073 36 3S 0.01482 0.02179 -0.07811 0.01383 -0.02348 37 3PX 0.00527 -0.01312 0.00093 0.04149 0.00855 38 3PY -0.01083 -0.03435 0.02463 -0.03441 0.02305 39 3PZ 0.01989 0.00261 -0.02404 -0.00880 -0.02850 40 4XX -0.00031 0.00053 0.00343 -0.00019 0.00214 41 4YY 0.00194 -0.00329 0.00797 -0.00230 0.00238 42 4ZZ 0.00062 0.00196 -0.00803 0.00181 -0.00649 43 4XY -0.00028 0.00034 -0.00200 0.00138 -0.00223 44 4XZ -0.00035 0.00269 -0.00073 -0.00526 -0.00177 45 4YZ -0.00036 0.00104 0.00152 -0.00007 0.00131 46 4 C 1S -0.00613 0.01491 -0.02304 0.01136 0.00111 47 2S 0.01811 -0.02779 0.05028 -0.02346 -0.00468 48 2PX 0.01886 -0.05260 0.03088 0.12284 0.05526 49 2PY -0.08097 0.01280 -0.06940 0.07766 0.02161 50 2PZ 0.01321 0.05862 0.03511 0.09328 0.03903 51 3S -0.00834 -0.05372 0.05808 -0.03329 -0.00003 52 3PX 0.01106 -0.02545 0.01359 0.04542 0.04118 53 3PY -0.05152 -0.00409 -0.03798 0.02719 0.01822 54 3PZ 0.00619 0.02614 0.02917 0.03511 0.02334 55 4XX -0.00205 0.00425 -0.00007 0.00045 0.00331 56 4YY 0.00128 -0.00122 0.00455 0.00256 0.00201 57 4ZZ 0.00294 0.00024 -0.00567 -0.00108 -0.00611 58 4XY 0.00126 -0.00177 0.00001 0.00507 0.00354 59 4XZ -0.00116 -0.00344 0.00229 -0.00489 0.00064 60 4YZ -0.00263 0.00123 -0.00422 0.00233 0.00018 61 5 C 1S -0.01398 -0.02729 0.02658 -0.02282 -0.00123 62 2S 0.02546 0.05577 -0.05422 0.04300 0.00538 63 2PX -0.03589 0.01879 -0.01000 -0.02003 0.05197 64 2PY 0.03695 0.00519 0.03882 0.04228 0.08041 65 2PZ -0.07173 -0.12636 0.07933 0.07486 0.16074 66 3S 0.05830 0.09674 -0.10746 0.09675 0.02876 67 3PX -0.00594 0.01282 -0.02197 0.01063 0.02536 68 3PY 0.02266 -0.00037 -0.00046 0.02785 0.05510 69 3PZ -0.02492 -0.05253 0.04314 0.05319 0.06184 70 4XX -0.00735 -0.00877 -0.00038 -0.00366 0.00171 71 4YY 0.00653 0.00364 -0.00101 -0.00050 -0.00741 72 4ZZ -0.00194 0.00517 0.00507 -0.00020 0.00332 73 4XY 0.00508 -0.00403 0.00170 -0.00469 0.00371 74 4XZ -0.00427 -0.00093 0.00384 -0.00291 0.00611 75 4YZ 0.00034 0.00275 -0.00918 -0.00153 -0.00526 76 6 C 1S -0.00048 -0.01759 -0.03598 -0.02003 -0.00313 77 2S -0.00163 0.03631 0.07163 0.03910 0.00117 78 2PX 0.05888 0.03787 0.02246 -0.02484 -0.05914 79 2PY -0.06496 -0.07926 -0.01772 0.02573 -0.04019 80 2PZ 0.03940 -0.05697 -0.14781 0.10731 -0.15626 81 3S 0.00805 0.05722 0.14986 0.07848 -0.00087 82 3PX 0.02578 0.00896 0.03458 0.00366 -0.03135 83 3PY -0.02377 -0.02464 -0.01479 0.02219 0.00620 84 3PZ 0.02101 -0.03015 -0.05497 0.05840 -0.06624 85 4XX -0.00215 -0.00838 -0.00538 -0.00476 -0.00279 86 4YY 0.00159 0.00491 -0.00957 0.00226 -0.00489 87 4ZZ -0.00136 0.00474 0.01179 -0.00165 0.00905 88 4XY -0.00414 -0.00266 -0.00054 -0.00220 -0.00311 89 4XZ 0.00438 -0.00039 -0.00146 -0.00387 -0.00296 90 4YZ -0.00082 0.00093 -0.00170 -0.00079 -0.00656 91 7 C 1S 0.00221 0.00590 0.03085 0.01111 0.00120 92 2S -0.00265 -0.01015 -0.06252 -0.02516 0.00165 93 2PX -0.03959 -0.06103 0.00647 0.14429 -0.01565 94 2PY 0.07917 0.03452 -0.00583 0.07405 0.00209 95 2PZ 0.01579 0.04730 0.03688 0.08216 -0.03503 96 3S -0.01522 -0.02040 -0.10192 -0.02022 -0.01929 97 3PX -0.01657 -0.03671 -0.00105 0.06129 -0.03074 98 3PY 0.04582 0.02633 -0.00619 0.03693 -0.00359 99 3PZ 0.00284 0.02505 -0.00503 0.04037 -0.03429 100 4XX -0.00014 0.00264 0.00135 0.00465 -0.00304 101 4YY 0.00101 -0.00011 -0.00447 -0.00443 0.00127 102 4ZZ 0.00172 -0.00058 0.00812 0.00117 0.00413 103 4XY -0.00133 0.00083 -0.00039 -0.00519 -0.00188 104 4XZ 0.00199 -0.00365 -0.00344 0.00194 -0.00314 105 4YZ 0.00061 -0.00209 0.00340 -0.00073 0.00059 106 8 C 1S -0.00379 0.00438 -0.00672 -0.00320 0.01158 107 2S 0.00648 -0.00871 0.01295 0.00637 -0.02218 108 2PX -0.06642 -0.12934 -0.07076 -0.17581 0.01935 109 2PY 0.03570 0.05267 0.00055 -0.08914 0.00262 110 2PZ -0.03725 0.16530 -0.03151 -0.02882 -0.02119 111 3S 0.01619 -0.01315 0.01903 0.01108 -0.04752 112 3PX -0.02398 -0.05481 -0.02560 -0.07596 0.01092 113 3PY 0.01635 0.02328 -0.00599 -0.03609 -0.01139 114 3PZ -0.01438 0.07623 -0.00948 -0.01730 -0.01331 115 4XX 0.00039 0.00628 0.00074 0.00190 -0.00116 116 4YY 0.00002 0.00014 -0.00340 -0.00028 0.00175 117 4ZZ 0.00118 -0.00567 0.00275 0.00159 0.00075 118 4XY -0.00080 -0.00082 -0.00233 -0.00339 0.00280 119 4XZ -0.00263 -0.00349 -0.00277 -0.00542 -0.00096 120 4YZ 0.00234 -0.00125 0.00060 -0.00145 -0.00040 121 9 C 1S 0.00632 -0.00002 0.00925 -0.00147 -0.00818 122 2S -0.01437 -0.00001 -0.01868 0.00320 0.01466 123 2PX -0.00706 -0.13022 -0.02284 -0.18542 -0.06930 124 2PY -0.05970 0.02977 -0.01840 -0.01546 -0.04707 125 2PZ -0.00765 0.16075 0.02061 -0.04275 -0.00797 126 3S -0.00923 0.00059 -0.02420 0.00207 0.03563 127 3PX 0.00255 -0.05659 -0.01083 -0.08278 -0.03069 128 3PY -0.01948 0.01784 -0.01173 -0.00793 -0.02453 129 3PZ -0.00440 0.07292 0.01283 -0.02179 0.00824 130 4XX 0.00192 0.00534 0.00207 0.00117 -0.00052 131 4YY -0.00131 -0.00204 -0.00072 0.00039 -0.00038 132 4ZZ 0.00169 -0.00308 0.00125 0.00152 0.00159 133 4XY -0.00254 0.00123 -0.00196 -0.00134 0.00192 134 4XZ -0.00008 -0.00426 0.00130 -0.00576 -0.00346 135 4YZ 0.00008 -0.00325 -0.00192 -0.00163 0.00081 136 10 H 1S 0.01983 -0.08790 -0.01334 0.01062 0.02307 137 2S 0.01726 -0.06227 -0.00950 0.00604 0.01591 138 11 H 1S 0.00591 0.10490 0.01106 0.07596 0.04628 139 2S 0.00929 0.07986 0.00746 0.05987 0.03077 140 12 H 1S 0.03794 0.10163 0.03951 0.07676 -0.02414 141 2S 0.02826 0.07946 0.03173 0.05984 -0.01145 142 13 H 1S 0.02349 -0.10029 0.02811 0.02167 0.00445 143 2S 0.01661 -0.07164 0.02566 0.01320 0.00920 144 14 H 1S 0.03936 0.01100 -0.04287 -0.00369 0.00954 145 2S 0.02886 0.00259 -0.02319 0.00036 -0.00147 146 15 C 1S 0.03716 -0.00257 0.04398 0.02492 0.00783 147 2S -0.09408 0.00798 -0.10187 -0.06112 -0.02013 148 2PX -0.03965 -0.03283 0.06197 -0.04210 0.12190 149 2PY -0.14516 0.10329 -0.14134 0.01893 0.18008 150 2PZ 0.06789 0.09865 0.00285 -0.06670 -0.09551 151 3S -0.07747 0.00375 -0.08409 -0.04301 -0.04615 152 3PX -0.01674 -0.01514 0.04743 0.01957 0.05147 153 3PY -0.03207 0.02774 0.03876 0.04465 0.00057 154 3PZ 0.02951 0.05582 -0.00259 -0.01548 -0.03802 155 4XX -0.00065 -0.00616 0.00922 0.01373 -0.00760 156 4YY 0.01033 -0.00343 -0.00161 -0.00556 0.00160 157 4ZZ 0.00520 0.00603 0.01113 -0.00315 -0.00023 158 4XY -0.00286 0.00686 0.00037 0.00164 0.00555 159 4XZ 0.00076 0.00514 0.00700 -0.00328 -0.00125 160 4YZ -0.00315 0.00381 -0.00032 0.00490 -0.00464 161 16 O 1S 0.00357 -0.00809 -0.00547 -0.04174 -0.00601 162 2S -0.00556 0.01877 0.01273 0.09278 0.01302 163 2PX -0.14484 0.00705 -0.01940 0.30364 0.03088 164 2PY -0.05487 0.09597 0.11148 0.04120 -0.03967 165 2PZ 0.02771 0.25572 0.03240 -0.05846 0.03498 166 3S -0.01530 0.02637 0.02216 0.16824 0.02868 167 3PX -0.08653 0.00084 -0.00905 0.18362 0.01581 168 3PY -0.02724 0.06350 0.04845 0.01991 -0.01901 169 3PZ 0.01552 0.16069 0.02980 -0.04734 0.01817 170 4XX 0.01068 0.00330 0.00099 -0.01754 -0.00352 171 4YY -0.00916 0.00075 -0.00343 0.00226 0.00105 172 4ZZ -0.00352 -0.00422 0.00129 0.00499 0.00037 173 4XY 0.00525 -0.00557 -0.00041 -0.00524 0.00653 174 4XZ 0.00070 -0.01249 -0.00303 0.00010 -0.00381 175 4YZ 0.00438 -0.00612 -0.00390 0.00185 -0.00129 176 17 C 1S 0.06378 0.00931 -0.03134 0.02631 0.00219 177 2S -0.15450 -0.01927 0.07154 -0.06388 -0.00355 178 2PX -0.03110 -0.00309 -0.04354 -0.00700 -0.22286 179 2PY 0.18037 0.02751 -0.08824 -0.08343 0.13483 180 2PZ -0.05363 0.10880 0.15180 -0.04911 -0.05157 181 3S -0.13400 -0.01962 0.05927 -0.05405 0.01811 182 3PX 0.00745 0.00550 -0.06268 0.04716 -0.05050 183 3PY 0.03665 0.01246 0.01520 -0.03557 0.00151 184 3PZ 0.01562 0.06303 0.01748 0.00745 0.04424 185 4XX 0.00228 -0.00110 -0.00709 0.01246 0.00458 186 4YY 0.01463 0.00000 -0.00641 -0.00712 0.00093 187 4ZZ 0.00634 0.00283 -0.00155 -0.00017 0.00390 188 4XY 0.00005 0.00075 -0.00371 0.00483 0.01045 189 4XZ 0.00083 0.00730 0.00062 -0.00339 -0.00432 190 4YZ -0.00261 0.01008 -0.00153 0.00139 0.00103 191 18 O 1S -0.07713 0.00648 0.04471 -0.00646 -0.03867 192 2S 0.16408 -0.00925 -0.10032 0.01824 0.08328 193 2PX 0.15106 -0.01831 -0.17504 0.02063 -0.01171 194 2PY -0.17162 0.07345 0.15189 -0.07342 -0.17182 195 2PZ 0.23239 0.04453 -0.08279 -0.01289 0.24972 196 3S 0.31399 -0.04762 -0.15842 -0.00091 0.14946 197 3PX 0.07304 -0.00541 -0.09437 0.01107 -0.01323 198 3PY -0.08661 0.03491 0.08457 -0.04983 -0.09411 199 3PZ 0.11660 0.02980 -0.04448 -0.00208 0.14060 200 4XX -0.00635 0.00260 0.00557 0.00244 0.00539 201 4YY -0.00821 0.00678 0.00631 -0.00442 -0.00614 202 4ZZ -0.01308 -0.00299 -0.00048 0.00407 -0.01202 203 4XY 0.00710 -0.00271 -0.00910 0.00308 -0.00023 204 4XZ -0.01068 -0.00040 0.00738 0.00066 -0.00273 205 4YZ 0.01238 0.00041 -0.00584 0.00175 0.01251 206 19 O 1S -0.05880 0.02139 -0.05017 -0.00460 0.03043 207 2S 0.12125 -0.04297 0.11362 0.01381 -0.06452 208 2PX -0.01138 -0.02379 0.07621 -0.02253 0.09034 209 2PY 0.25168 -0.09518 0.25614 0.04316 -0.22778 210 2PZ 0.01315 0.10031 -0.03789 -0.03833 -0.06766 211 3S 0.25740 -0.09883 0.17184 -0.00821 -0.12186 212 3PX -0.00998 -0.01072 0.03927 -0.01744 0.05512 213 3PY 0.12047 -0.04401 0.14312 0.03426 -0.12436 214 3PZ 0.00730 0.05480 -0.02326 -0.02282 -0.04289 215 4XX -0.00188 0.00104 0.00195 0.00336 -0.00207 216 4YY -0.02185 0.00679 -0.01666 -0.00194 0.01513 217 4ZZ -0.00072 0.00209 0.00310 0.00085 -0.00200 218 4XY 0.00024 0.00265 -0.00535 0.00219 -0.00615 219 4XZ -0.00122 -0.00005 0.00037 0.00001 0.00168 220 4YZ -0.00089 -0.00750 0.00349 0.00383 0.00453 221 20 H 1S -0.02071 0.05269 0.12842 -0.04609 0.10384 222 2S -0.01226 0.02926 0.09435 -0.03421 0.08721 223 21 H 1S 0.02493 0.08106 -0.07823 -0.02909 -0.10159 224 2S 0.01843 0.05031 -0.05482 -0.02006 -0.08099 225 22 H 1S 0.05081 -0.01158 0.07081 -0.01405 0.00360 226 2S 0.03705 -0.00960 0.03737 -0.00797 0.01218 227 23 H 1S 0.03961 0.02905 -0.09004 0.00981 -0.06804 228 2S 0.02957 0.02359 -0.06661 0.00571 -0.05121 229 24 H 1S -0.01779 -0.00454 -0.02817 0.07436 -0.04672 230 2S 0.00609 -0.00215 -0.01122 0.05363 -0.05542 231 25 H 1S -0.02266 0.03463 -0.02479 -0.01715 0.02166 232 2S -0.01212 0.03067 -0.01799 -0.01529 0.01562 233 26 H 1S -0.03659 -0.02303 -0.04738 -0.04049 -0.00558 234 2S -0.01967 -0.01329 -0.04018 -0.02713 -0.01058 36 37 38 39 40 O O O O O Eigenvalues -- -0.42763 -0.42100 -0.41550 -0.41079 -0.40479 1 1 C 1S -0.00332 -0.00201 -0.00056 -0.00031 -0.00067 2 2S 0.00798 0.00350 -0.00015 -0.00041 0.00241 3 2PX 0.10103 0.18430 0.10903 0.31774 0.07640 4 2PY -0.03004 0.02867 0.20088 -0.05149 -0.04782 5 2PZ 0.23874 -0.14141 -0.05155 0.05758 -0.06404 6 3S -0.00312 0.02925 -0.01231 0.01177 0.00935 7 3PX 0.04452 0.08857 0.05252 0.15717 0.03853 8 3PY -0.02095 0.01414 0.10047 -0.01820 -0.02255 9 3PZ 0.12768 -0.06931 -0.02437 0.02417 -0.03597 10 4XX -0.00709 -0.00056 0.00600 -0.01107 -0.00260 11 4YY 0.00034 0.00460 0.00189 0.00478 0.00194 12 4ZZ 0.00899 -0.00582 -0.00614 0.00454 -0.00078 13 4XY 0.00241 0.00717 0.00822 0.01065 0.00245 14 4XZ -0.00202 -0.00630 -0.00299 -0.00838 -0.00243 15 4YZ -0.00602 0.00402 -0.00486 -0.00009 0.00348 16 2 C 1S -0.00371 -0.02470 0.00794 0.00668 0.00111 17 2S 0.00419 0.04948 -0.01956 -0.01044 -0.00146 18 2PX 0.07030 0.04589 0.06549 0.06513 -0.03113 19 2PY -0.15929 0.10283 -0.11460 0.08473 0.12710 20 2PZ 0.08520 -0.04432 -0.04131 0.07174 -0.01279 21 3S 0.01894 0.11310 -0.03511 -0.05259 0.00339 22 3PX 0.02726 0.03707 0.02033 0.02704 -0.01112 23 3PY -0.03236 -0.00283 -0.00101 0.03810 0.01687 24 3PZ 0.00786 -0.02797 -0.01680 0.02918 0.00980 25 4XX -0.00098 -0.00344 -0.00160 -0.00138 -0.00082 26 4YY -0.00250 0.00199 0.01105 -0.00030 -0.00354 27 4ZZ 0.00124 -0.00283 -0.00869 0.00356 0.00471 28 4XY 0.00329 0.00348 0.00094 0.00586 0.00445 29 4XZ -0.00069 -0.00019 0.00426 0.00595 0.00206 30 4YZ 0.00338 0.00497 -0.00504 0.00082 0.00348 31 3 C 1S 0.01866 0.01082 -0.03353 0.01002 0.01327 32 2S -0.03987 -0.01766 0.06858 -0.02323 -0.02961 33 2PX -0.03757 0.00951 0.01197 0.03673 0.00570 34 2PY 0.15516 -0.07186 0.00966 0.01166 -0.05594 35 2PZ -0.11389 -0.01042 -0.18659 0.07031 0.17348 36 3S -0.05167 -0.07477 0.12991 -0.01132 -0.05488 37 3PX -0.01900 0.00511 0.01102 0.01799 0.00388 38 3PY 0.06688 -0.04599 0.00300 0.02898 -0.02595 39 3PZ -0.03253 0.02017 -0.09311 0.02366 0.07181 40 4XX 0.00079 -0.00073 -0.00324 0.00012 0.00114 41 4YY 0.00792 0.00609 -0.00305 -0.00038 -0.00343 42 4ZZ -0.01060 -0.00228 -0.00272 0.00273 0.00729 43 4XY 0.00043 0.00296 0.00152 0.00338 0.00043 44 4XZ 0.00149 0.00155 0.00016 -0.00147 0.00216 45 4YZ -0.00124 0.00117 0.00195 0.00214 -0.00108 46 4 C 1S -0.00708 -0.00945 0.00156 -0.00545 0.00983 47 2S 0.01013 0.01501 0.00372 0.01343 -0.02349 48 2PX -0.00802 -0.09519 -0.04252 -0.00091 0.03976 49 2PY -0.10524 -0.10365 0.17862 0.03873 -0.03511 50 2PZ 0.00170 0.14144 -0.01214 -0.09723 -0.04008 51 3S 0.03653 0.05507 -0.02911 0.01383 -0.02670 52 3PX -0.00723 -0.04804 -0.00682 -0.00351 0.03800 53 3PY -0.03075 -0.02548 0.05445 0.01008 0.00622 54 3PZ -0.00897 0.05021 -0.01658 -0.02298 -0.00907 55 4XX 0.00385 -0.00563 0.00216 0.00253 0.00395 56 4YY 0.00486 0.00600 -0.00268 -0.00513 -0.00710 57 4ZZ -0.00882 -0.00080 0.00063 0.00079 0.00300 58 4XY -0.00384 -0.00521 -0.00285 0.00524 -0.00533 59 4XZ 0.00023 0.00465 -0.00137 0.00011 0.00218 60 4YZ -0.00319 -0.00282 0.01203 -0.00193 -0.00489 61 5 C 1S 0.00762 0.02595 0.00331 -0.01384 0.00762 62 2S -0.01749 -0.05132 -0.01194 0.03025 -0.01138 63 2PX 0.08267 0.11796 0.04436 -0.10439 0.04741 64 2PY -0.10966 0.05630 -0.15487 0.08260 -0.12488 65 2PZ 0.02494 -0.08638 -0.02525 0.01436 0.07284 66 3S -0.01953 -0.10480 0.01036 0.04853 -0.04165 67 3PX 0.05550 0.06261 0.01946 -0.06520 0.02075 68 3PY -0.05548 0.01286 -0.03848 0.04152 -0.07336 69 3PZ 0.02253 -0.03428 -0.02268 -0.00345 0.01713 70 4XX 0.00218 0.00239 0.00098 -0.00083 0.00311 71 4YY -0.00041 0.00190 -0.00689 -0.00014 -0.00292 72 4ZZ -0.00032 0.00013 0.00734 -0.00174 0.00209 73 4XY -0.00073 -0.00279 0.00030 0.00260 0.00165 74 4XZ 0.00096 0.00401 -0.00345 -0.00137 0.00336 75 4YZ 0.00323 -0.00191 0.00911 -0.00352 0.00234 76 6 C 1S -0.00691 -0.01133 0.02966 0.00972 0.00357 77 2S 0.01184 0.02473 -0.06054 -0.01610 -0.00626 78 2PX -0.08045 -0.08403 0.07380 0.03452 -0.00705 79 2PY 0.12300 -0.08014 0.09639 -0.09547 0.13109 80 2PZ -0.00796 -0.04819 -0.18277 0.00642 -0.05219 81 3S 0.03589 0.02332 -0.13479 -0.06305 -0.00528 82 3PX -0.02203 -0.04727 0.04416 0.02133 -0.00043 83 3PY 0.04955 -0.07268 0.05129 -0.03413 0.04703 84 3PZ 0.00810 -0.02827 -0.09509 -0.00809 -0.03471 85 4XX 0.00163 -0.00209 -0.00259 0.00015 0.00436 86 4YY -0.00385 -0.00401 -0.00032 0.00340 -0.00397 87 4ZZ 0.00062 0.00540 0.00819 -0.00206 0.00181 88 4XY -0.00142 -0.00510 0.00156 -0.00035 0.00629 89 4XZ -0.00010 -0.00193 0.00072 0.00039 -0.00178 90 4YZ 0.00434 0.00228 0.00418 -0.00611 0.00254 91 7 C 1S -0.00484 0.01144 0.01056 -0.00987 -0.00256 92 2S 0.01457 -0.01891 -0.02819 0.01478 0.00687 93 2PX 0.07436 0.06544 -0.05102 -0.08301 0.00952 94 2PY -0.06522 -0.12214 0.14332 0.07193 -0.11689 95 2PZ -0.07716 0.05835 -0.02170 -0.05397 0.04634 96 3S -0.01533 -0.04916 -0.01427 0.06089 0.01380 97 3PX 0.04447 0.03317 0.00271 -0.02888 0.02200 98 3PY -0.03237 -0.02255 0.03303 0.01573 -0.03543 99 3PZ -0.05697 0.01304 -0.01351 -0.01795 0.03685 100 4XX 0.00757 -0.00060 -0.00731 -0.00212 0.00028 101 4YY -0.00420 -0.00545 0.00582 0.00628 -0.00053 102 4ZZ -0.00322 0.00669 0.00430 -0.00502 -0.00222 103 4XY 0.00230 0.00026 0.00218 -0.00108 0.00813 104 4XZ -0.00053 -0.00000 0.00084 0.00348 -0.00625 105 4YZ -0.00406 0.01010 -0.00696 -0.00161 0.00588 106 8 C 1S -0.00520 -0.01210 0.00749 0.00290 -0.01945 107 2S 0.00764 0.02308 -0.01453 -0.00379 0.04162 108 2PX -0.04396 0.06730 0.00706 -0.03315 0.13374 109 2PY 0.05406 -0.03875 -0.05033 0.06909 -0.13864 110 2PZ 0.03979 -0.08210 -0.05912 0.08197 0.19973 111 3S 0.03379 0.06304 -0.04318 -0.02033 0.07865 112 3PX -0.02562 0.04179 -0.00149 -0.02632 0.06748 113 3PY 0.02239 -0.02937 -0.00370 0.04040 -0.06334 114 3PZ 0.02966 -0.03577 -0.02613 0.02797 0.09401 115 4XX 0.00503 -0.00187 -0.00662 0.00385 -0.00118 116 4YY -0.00389 -0.00567 0.00310 0.00250 0.00383 117 4ZZ -0.00176 0.00639 0.00375 -0.00613 -0.00906 118 4XY 0.00209 0.00115 -0.00175 -0.00032 -0.00077 119 4XZ -0.00190 0.00225 0.00027 -0.00172 0.00525 120 4YZ -0.00217 -0.00060 -0.00112 -0.00116 -0.00420 121 9 C 1S 0.00662 0.01060 -0.00758 -0.00732 -0.01341 122 2S -0.01303 -0.01868 0.01302 0.01445 0.03023 123 2PX -0.06101 0.00434 0.04172 0.01685 0.02802 124 2PY -0.00656 0.02741 0.03713 0.00221 0.22846 125 2PZ 0.12657 0.03276 -0.03774 0.07288 -0.04776 126 3S -0.03184 -0.05775 0.04356 0.03913 0.04238 127 3PX -0.03245 -0.00139 0.01307 0.00893 0.02541 128 3PY -0.00975 -0.00113 0.03682 0.00598 0.09488 129 3PZ 0.06271 0.02018 -0.01836 0.02605 -0.01075 130 4XX 0.00453 -0.00336 -0.00301 0.00550 -0.00414 131 4YY -0.00211 -0.00010 -0.00097 -0.00165 0.00703 132 4ZZ -0.00189 0.00415 0.00203 -0.00451 -0.00804 133 4XY -0.00020 -0.00019 0.00194 0.00156 -0.00161 134 4XZ -0.00135 0.00281 0.00257 -0.00080 0.00239 135 4YZ -0.00467 -0.00544 0.00371 -0.00003 -0.00539 136 10 H 1S -0.06645 -0.03608 0.01645 -0.02869 -0.06243 137 2S -0.05165 -0.02668 0.02190 -0.03286 -0.05981 138 11 H 1S 0.06608 -0.00762 -0.03535 0.02487 -0.06329 139 2S 0.05094 -0.00651 -0.03683 0.02103 -0.05551 140 12 H 1S 0.04565 -0.04889 -0.03432 0.04373 -0.05098 141 2S 0.02707 -0.04372 -0.03427 0.02864 -0.04959 142 13 H 1S -0.02187 0.06703 0.03525 -0.05927 -0.10755 143 2S -0.01726 0.05407 0.04106 -0.05685 -0.10128 144 14 H 1S -0.02662 -0.10419 0.08931 0.07231 -0.07947 145 2S -0.02145 -0.09876 0.09695 0.05493 -0.06746 146 15 C 1S 0.01115 0.00069 -0.00098 -0.00843 0.00464 147 2S -0.02837 -0.00401 -0.00075 0.01997 -0.01694 148 2PX -0.07720 0.06621 -0.03098 0.10493 -0.08211 149 2PY -0.00892 0.11114 -0.04384 0.00894 -0.04004 150 2PZ 0.06150 0.12733 -0.00108 -0.08280 -0.06503 151 3S -0.02738 0.00894 0.02414 0.02542 0.01930 152 3PX -0.02768 -0.00319 -0.02389 0.03940 -0.03235 153 3PY 0.01913 -0.00087 0.00704 -0.01541 0.01040 154 3PZ 0.03475 0.06056 0.00116 -0.04262 -0.03014 155 4XX 0.00473 -0.00618 -0.00278 -0.00384 0.00372 156 4YY -0.00399 0.00579 -0.00339 0.00430 -0.00642 157 4ZZ 0.00256 -0.00288 0.00808 -0.00337 0.00438 158 4XY -0.00515 0.00119 -0.00726 0.00390 -0.00499 159 4XZ 0.00330 -0.00092 0.00613 -0.00455 0.00361 160 4YZ 0.00189 0.00565 -0.00181 -0.00466 -0.00365 161 16 O 1S -0.01619 0.01827 -0.00164 0.01814 -0.02384 162 2S 0.03625 -0.03890 0.00554 -0.03837 0.05171 163 2PX 0.02100 -0.08402 -0.09446 -0.04063 0.05217 164 2PY 0.02047 -0.03194 0.02194 -0.04524 0.02488 165 2PZ 0.03603 -0.00840 0.07657 -0.07635 0.05335 166 3S 0.07887 -0.08689 0.01609 -0.09346 0.11888 167 3PX 0.00718 -0.04750 -0.06235 -0.01773 0.02653 168 3PY 0.01235 -0.01616 0.01262 -0.02858 0.01390 169 3PZ 0.02051 -0.00333 0.05241 -0.04752 0.03162 170 4XX -0.00021 0.00409 0.00573 0.00078 -0.00285 171 4YY -0.00186 0.00593 -0.00432 0.00170 -0.00584 172 4ZZ -0.00321 -0.00327 -0.00132 0.00468 -0.00065 173 4XY -0.00124 0.00141 0.00084 0.00328 0.00053 174 4XZ -0.00279 0.00015 -0.00339 0.00415 -0.00348 175 4YZ 0.00327 0.00353 -0.00073 -0.00272 -0.00024 176 17 C 1S 0.00723 -0.01595 0.00327 -0.00558 0.00495 177 2S -0.01835 0.03925 -0.01022 0.01390 -0.01690 178 2PX -0.05565 0.02467 -0.04631 0.03250 -0.13070 179 2PY -0.02637 0.00353 0.02948 0.05373 -0.00283 180 2PZ -0.09667 -0.12068 0.01787 0.08549 0.00427 181 3S -0.01396 0.04241 -0.00109 0.01111 0.02111 182 3PX 0.00561 0.01312 -0.02179 -0.01241 -0.05002 183 3PY -0.02951 -0.01401 -0.00190 0.04049 -0.01614 184 3PZ -0.01619 -0.05105 0.02305 0.01751 0.02639 185 4XX 0.00026 -0.00282 -0.00567 0.00014 -0.00272 186 4YY 0.00707 0.00380 0.00563 -0.00659 0.00478 187 4ZZ -0.00319 -0.00258 0.00146 0.00384 0.00087 188 4XY 0.00424 -0.00477 0.00410 -0.00233 0.01036 189 4XZ -0.00285 0.00042 -0.00036 0.00179 -0.00456 190 4YZ 0.00455 0.00036 0.00480 -0.00588 0.00252 191 18 O 1S -0.01334 -0.00405 -0.00661 0.00534 -0.00785 192 2S 0.02917 0.00804 0.01548 -0.01256 0.01618 193 2PX 0.01444 0.06363 -0.01957 -0.00544 -0.10163 194 2PY -0.14473 -0.07109 -0.02654 0.12602 -0.10368 195 2PZ 0.00390 -0.06353 0.06246 0.04095 0.09864 196 3S 0.04842 0.02099 0.02124 -0.01122 0.02696 197 3PX 0.00631 0.03657 -0.01073 -0.00286 -0.06255 198 3PY -0.08656 -0.04043 -0.01523 0.07833 -0.06313 199 3PZ -0.00074 -0.03963 0.03587 0.02451 0.06012 200 4XX 0.00126 -0.00321 0.00165 -0.00138 0.00659 201 4YY -0.00781 -0.00469 0.00044 0.00710 -0.00472 202 4ZZ 0.00293 0.00593 -0.00283 -0.00521 -0.00507 203 4XY 0.00360 0.00437 -0.00123 -0.00331 -0.00239 204 4XZ 0.00113 -0.00081 -0.00004 -0.00206 0.00273 205 4YZ 0.00405 -0.00068 0.00282 -0.00228 0.00664 206 19 O 1S -0.00779 0.01609 -0.00348 0.00799 -0.00683 207 2S 0.01681 -0.03415 0.00686 -0.01686 0.01560 208 2PX -0.07644 0.03950 -0.06297 0.09892 -0.08573 209 2PY 0.07031 -0.11602 0.06015 -0.07496 0.07077 210 2PZ 0.05303 0.16462 -0.01791 -0.08388 -0.08917 211 3S 0.02798 -0.06468 0.01005 -0.03270 0.01713 212 3PX -0.04630 0.02579 -0.04026 0.05926 -0.05154 213 3PY 0.03999 -0.06251 0.03826 -0.04089 0.04475 214 3PZ 0.03020 0.10045 -0.01108 -0.05036 -0.05457 215 4XX 0.00128 -0.00162 0.00133 -0.00112 0.00193 216 4YY -0.00465 0.00592 -0.00391 0.00483 -0.00351 217 4ZZ 0.00113 0.00106 0.00103 -0.00110 0.00033 218 4XY 0.00532 -0.00299 0.00322 -0.00711 0.00542 219 4XZ -0.00045 -0.00108 -0.00022 0.00042 0.00019 220 4YZ -0.00379 -0.01128 0.00127 0.00601 0.00586 221 20 H 1S 0.00721 0.04647 0.09356 -0.01461 0.02639 222 2S 0.00490 0.03404 0.09193 -0.01456 0.01396 223 21 H 1S 0.03556 0.00213 0.08599 -0.04408 0.01711 224 2S 0.03127 0.00938 0.08140 -0.04869 0.00376 225 22 H 1S 0.06448 0.09503 -0.10978 -0.04447 0.00445 226 2S 0.05984 0.08220 -0.09419 -0.04664 0.01835 227 23 H 1S -0.10795 -0.01223 -0.07975 0.03254 0.10238 228 2S -0.08314 -0.01882 -0.07160 0.03396 0.09187 229 24 H 1S 0.00485 0.10972 0.14505 0.10522 0.01979 230 2S 0.01638 0.08086 0.11785 0.06874 0.01517 231 25 H 1S -0.09302 -0.07931 -0.00684 -0.20472 -0.04834 232 2S -0.07285 -0.07058 -0.00511 -0.16702 -0.04452 233 26 H 1S 0.14990 -0.08619 -0.05481 0.04883 -0.02951 234 2S 0.10623 -0.07143 -0.04602 0.04243 -0.01871 41 42 43 44 45 O O O O O Eigenvalues -- -0.39527 -0.37488 -0.36836 -0.36486 -0.33986 1 1 C 1S 0.00251 0.00065 0.00468 0.00065 0.00582 2 2S -0.00564 -0.00080 -0.00828 -0.00104 -0.01300 3 2PX 0.02049 0.06603 0.01084 0.02383 -0.02884 4 2PY 0.20673 0.02197 0.10123 -0.14581 0.04311 5 2PZ 0.10164 0.00902 -0.06341 0.22618 0.04861 6 3S -0.02945 -0.00543 -0.04441 0.00437 -0.03369 7 3PX 0.01106 0.03384 0.00717 0.00993 -0.01651 8 3PY 0.11503 0.01090 0.04528 -0.07375 0.03224 9 3PZ 0.05258 0.00499 -0.02513 0.09946 0.02388 10 4XX 0.00541 -0.00147 0.00490 -0.01155 0.00112 11 4YY -0.00375 0.00158 0.00353 -0.00876 -0.00279 12 4ZZ 0.00249 0.00035 -0.00692 0.01989 0.00290 13 4XY 0.00565 0.00447 0.00269 -0.00076 -0.00097 14 4XZ 0.00007 -0.00098 0.00046 -0.00055 0.00000 15 4YZ -0.00723 -0.00052 -0.00215 0.00158 -0.00192 16 2 C 1S 0.00318 -0.00034 0.00734 -0.00166 0.00241 17 2S -0.00945 0.00145 -0.01617 0.00516 -0.00333 18 2PX 0.05092 -0.03683 -0.00427 -0.02677 0.04231 19 2PY -0.15577 -0.02063 -0.06972 0.08870 -0.02008 20 2PZ -0.19038 -0.00461 0.03403 -0.14116 -0.06814 21 3S 0.03661 -0.00393 -0.03949 0.00335 -0.02620 22 3PX 0.01641 -0.01858 -0.01062 -0.00478 0.01668 23 3PY -0.05213 -0.00802 0.00395 0.01064 0.01612 24 3PZ -0.02893 0.00293 0.02433 -0.04575 -0.00195 25 4XX -0.00028 -0.00125 0.00186 -0.00153 0.00012 26 4YY -0.00490 0.00133 0.00085 -0.00676 -0.00270 27 4ZZ 0.00734 -0.00021 -0.00307 0.00926 0.00309 28 4XY 0.00129 0.00327 0.00029 0.00094 0.00176 29 4XZ 0.00285 0.00426 0.00506 0.00041 -0.00641 30 4YZ -0.00089 0.00079 -0.00349 0.00489 -0.00563 31 3 C 1S -0.00849 0.00019 -0.00749 0.00599 -0.00035 32 2S 0.01580 0.00039 0.01357 -0.00977 -0.00250 33 2PX 0.02503 -0.05567 0.00640 0.05776 -0.05691 34 2PY 0.04160 -0.00462 0.09483 -0.17829 0.00868 35 2PZ 0.02789 -0.00722 0.06296 -0.07359 0.05236 36 3S 0.00902 -0.00804 0.04920 -0.03382 0.02481 37 3PX 0.02947 -0.02620 0.00525 0.02476 -0.03057 38 3PY -0.02555 -0.00237 0.03856 -0.06406 0.00219 39 3PZ -0.00562 -0.00183 0.00624 -0.03036 -0.00343 40 4XX -0.00146 -0.00050 -0.00013 -0.00014 -0.00288 41 4YY -0.00170 0.00060 -0.00263 0.00040 -0.00182 42 4ZZ 0.00120 -0.00057 0.00284 0.00165 0.00568 43 4XY -0.00058 0.00160 -0.00173 -0.00196 0.00550 44 4XZ 0.00045 0.00369 -0.00100 -0.00199 0.00454 45 4YZ -0.01089 0.00017 -0.00405 0.00448 -0.00216 46 4 C 1S 0.02309 0.00565 -0.00342 -0.00885 -0.00653 47 2S -0.05668 -0.01120 0.00911 0.01858 0.01886 48 2PX 0.09849 -0.17066 0.08087 0.02684 -0.22956 49 2PY -0.16086 -0.04181 -0.02106 0.08631 -0.05888 50 2PZ 0.09109 0.01034 -0.12022 0.14948 -0.09979 51 3S -0.07123 -0.03637 -0.00923 0.04772 -0.00719 52 3PX 0.04602 -0.06927 0.04496 0.01833 -0.08781 53 3PY -0.06325 -0.00995 -0.01526 0.03781 -0.04017 54 3PZ 0.00882 0.01912 -0.06698 0.07188 -0.04486 55 4XX -0.00646 -0.00017 -0.00054 -0.00810 -0.00023 56 4YY 0.00953 0.00123 -0.00068 0.00257 -0.00368 57 4ZZ 0.00116 -0.00073 0.00066 0.00463 0.00304 58 4XY -0.00131 0.00095 0.00517 -0.00213 -0.00319 59 4XZ -0.00034 0.00675 0.00237 0.00117 0.00860 60 4YZ -0.00209 0.00154 -0.00164 0.00432 0.00037 61 5 C 1S 0.00925 -0.00637 0.01203 0.00840 0.01876 62 2S -0.01698 0.01204 -0.01799 -0.01716 -0.03647 63 2PX 0.02043 0.12504 -0.06326 0.04262 0.09457 64 2PY -0.05581 0.17818 0.05655 0.05030 0.03147 65 2PZ -0.07405 -0.02907 0.14808 -0.02349 -0.05552 66 3S -0.07244 0.05431 -0.06765 -0.03541 -0.08536 67 3PX 0.01590 0.06720 -0.04471 0.02336 0.02811 68 3PY -0.04150 0.06691 0.02474 0.03634 0.00334 69 3PZ -0.03497 -0.00535 0.07671 -0.01502 -0.05643 70 4XX -0.00910 0.00001 0.00768 -0.00142 0.00777 71 4YY 0.00484 0.00406 -0.00417 -0.00168 0.00111 72 4ZZ 0.00520 -0.00393 -0.00366 0.00458 -0.00440 73 4XY 0.00022 0.00176 0.00484 -0.00018 -0.00053 74 4XZ -0.00022 0.00752 0.00253 -0.00206 0.00797 75 4YZ 0.00187 -0.00341 -0.01036 -0.00223 0.00287 76 6 C 1S 0.00137 -0.00403 -0.01588 0.00201 -0.01953 77 2S -0.00928 0.00772 0.02658 -0.00670 0.03685 78 2PX 0.01512 0.18203 0.00720 0.10634 -0.09766 79 2PY -0.01191 -0.08859 -0.01968 -0.05458 0.03109 80 2PZ -0.00181 0.09338 -0.11120 -0.09150 0.03400 81 3S 0.02898 0.04285 0.08403 -0.00320 0.09508 82 3PX 0.02131 0.08809 0.00972 0.06756 -0.03012 83 3PY -0.02150 -0.02420 -0.00335 -0.02795 0.03909 84 3PZ 0.02618 0.03743 -0.05825 -0.05172 0.04743 85 4XX 0.00326 0.00079 -0.00586 -0.00656 -0.00416 86 4YY -0.00370 0.00492 -0.00524 0.00008 -0.00082 87 4ZZ 0.00038 -0.00525 0.00970 0.00839 0.00022 88 4XY 0.00273 0.00234 0.00174 -0.00158 -0.00907 89 4XZ -0.00551 0.00682 0.00101 -0.00103 -0.00498 90 4YZ 0.00188 -0.00307 -0.00304 0.00133 0.00238 91 7 C 1S -0.02435 0.00330 0.00974 -0.00709 0.00541 92 2S 0.05930 -0.00611 -0.02148 0.01016 -0.01612 93 2PX -0.03056 -0.17353 -0.08944 -0.06730 0.21890 94 2PY -0.15970 -0.03540 -0.03045 0.10782 0.11786 95 2PZ 0.15334 0.00708 -0.02773 0.15168 0.08845 96 3S 0.08118 -0.02548 -0.03254 0.06087 0.01133 97 3PX -0.02484 -0.06747 -0.04761 -0.03183 0.08621 98 3PY -0.06672 -0.00926 -0.02048 0.05833 0.03513 99 3PZ 0.06474 0.01770 0.00175 0.07553 0.05478 100 4XX 0.00107 -0.00159 0.00478 -0.00789 0.00393 101 4YY -0.00968 0.00124 -0.00097 0.00215 -0.00470 102 4ZZ 0.00532 0.00036 -0.00282 0.00484 0.00163 103 4XY 0.00378 0.00414 0.00234 0.00049 -0.00727 104 4XZ 0.00130 0.00647 -0.00331 -0.00114 -0.00274 105 4YZ -0.00036 0.00069 -0.00258 -0.00267 -0.00421 106 8 C 1S -0.00166 -0.00435 0.00209 0.00247 0.00578 107 2S 0.00038 0.00407 -0.00511 -0.00276 -0.01358 108 2PX 0.00979 0.10551 -0.09184 -0.01206 -0.24912 109 2PY 0.07276 0.14359 0.12006 -0.11502 -0.07352 110 2PZ 0.05806 -0.07840 0.17955 0.04669 -0.02212 111 3S 0.02431 0.03843 -0.00671 -0.01924 -0.04311 112 3PX -0.00089 0.05578 -0.04432 -0.00737 -0.13368 113 3PY 0.00915 0.07719 0.06224 -0.05581 -0.03624 114 3PZ 0.03665 -0.03591 0.09418 0.02253 -0.02067 115 4XX 0.00291 -0.00500 0.01060 -0.00538 0.00917 116 4YY -0.00005 -0.00158 0.00288 0.00716 -0.00691 117 4ZZ -0.00323 0.00480 -0.01432 -0.00206 0.00143 118 4XY 0.00284 0.00272 -0.00468 -0.00396 -0.01595 119 4XZ 0.00195 0.00441 -0.00299 0.00166 -0.00327 120 4YZ 0.00825 0.00516 0.00515 0.00338 -0.00082 121 9 C 1S 0.01290 -0.00353 -0.00290 -0.00282 -0.00480 122 2S -0.02533 0.00262 0.00513 0.00599 0.01122 123 2PX -0.05381 0.14588 0.10609 0.01210 0.25341 124 2PY -0.14113 -0.10705 -0.09153 0.05118 0.05480 125 2PZ -0.13343 0.03728 -0.10965 -0.19939 0.01789 126 3S -0.07067 0.03345 0.01612 0.00941 0.03706 127 3PX -0.02018 0.07871 0.05126 0.00625 0.13343 128 3PY -0.08166 -0.05266 -0.04887 0.02812 0.03879 129 3PZ -0.05186 0.02486 -0.05792 -0.10210 0.01422 130 4XX -0.00477 -0.00426 0.00005 -0.01000 -0.00004 131 4YY 0.00584 -0.00205 0.00468 0.00624 -0.00415 132 4ZZ 0.00254 0.00471 -0.00415 0.00371 0.00043 133 4XY -0.00427 0.00159 -0.00549 -0.00379 -0.01004 134 4XZ -0.00540 0.00431 0.00115 0.00350 0.01558 135 4YZ 0.00584 0.00483 0.01153 0.00641 0.00268 136 10 H 1S 0.11258 0.04714 0.10901 0.08495 -0.00581 137 2S 0.10977 0.04131 0.09082 0.08277 -0.00551 138 11 H 1S -0.00471 -0.03953 -0.07537 -0.09388 -0.14734 139 2S -0.00126 -0.04033 -0.07025 -0.09009 -0.14554 140 12 H 1S 0.01925 -0.04916 0.11847 -0.01346 0.14197 141 2S 0.00989 -0.05230 0.11130 -0.01680 0.14217 142 13 H 1S -0.03836 0.05304 -0.13163 -0.02849 0.01251 143 2S -0.03063 0.04561 -0.11769 -0.01771 0.01392 144 14 H 1S -0.10116 -0.00261 -0.00822 0.04249 0.01622 145 2S -0.09671 0.00781 0.00493 0.01946 0.01471 146 15 C 1S -0.00627 0.00609 0.00576 0.00393 0.01796 147 2S 0.01580 -0.01790 -0.01430 -0.00946 -0.04289 148 2PX 0.05143 -0.14090 -0.02767 -0.00505 0.07898 149 2PY -0.02606 0.01039 0.04152 0.01779 0.04890 150 2PZ -0.08580 -0.05277 0.10016 0.05472 -0.02171 151 3S 0.00668 -0.01065 -0.02958 -0.01200 -0.07655 152 3PX 0.02872 -0.01466 -0.00822 0.00414 0.06158 153 3PY -0.00389 0.01672 0.00581 0.01216 0.03044 154 3PZ -0.04829 0.00283 0.06577 0.04078 -0.00521 155 4XX -0.00275 0.00198 -0.00278 -0.00347 0.00460 156 4YY -0.00064 -0.00317 0.00325 0.00144 -0.00185 157 4ZZ 0.00152 0.00118 -0.00011 0.00268 -0.00005 158 4XY 0.00438 0.00624 -0.00369 0.00279 0.00989 159 4XZ -0.00181 0.00031 0.00261 0.00247 -0.00190 160 4YZ -0.00653 0.00629 0.01176 0.00833 -0.00462 161 16 O 1S 0.00877 -0.03502 -0.00195 0.00230 -0.00004 162 2S -0.01772 0.06840 0.00444 -0.00543 -0.00019 163 2PX -0.05450 0.29920 0.01281 0.01472 -0.00127 164 2PY -0.02533 0.12527 -0.02184 0.02566 -0.00507 165 2PZ 0.01223 0.14011 -0.02569 0.05918 0.03292 166 3S -0.04128 0.15196 0.00922 -0.01722 0.00077 167 3PX -0.03350 0.18496 0.00934 0.01119 -0.00149 168 3PY -0.01431 0.07717 -0.01942 0.01637 -0.00670 169 3PZ 0.00920 0.08631 -0.01600 0.04054 0.02521 170 4XX 0.00258 -0.01233 -0.00056 0.00048 -0.00100 171 4YY -0.00151 -0.00353 0.00312 0.00209 0.00136 172 4ZZ 0.00316 -0.00088 -0.00328 -0.00146 -0.00050 173 4XY 0.00237 -0.00504 -0.00079 -0.00204 0.00391 174 4XZ 0.00031 -0.00640 0.00025 -0.00195 -0.00275 175 4YZ -0.00352 -0.00154 0.00459 0.00078 -0.00097 176 17 C 1S 0.00334 0.00671 -0.00766 0.00079 -0.01801 177 2S -0.00734 -0.01872 0.01852 -0.00297 0.04367 178 2PX 0.00480 -0.13078 0.00737 0.03020 -0.09237 179 2PY 0.06187 -0.08044 -0.04547 -0.01672 0.01437 180 2PZ 0.09801 0.01331 -0.10830 -0.03662 -0.01887 181 3S -0.00771 -0.01653 0.03177 0.00849 0.07245 182 3PX -0.01628 -0.01476 0.00501 0.02209 -0.06081 183 3PY 0.03306 -0.00459 -0.04056 -0.01372 -0.00211 184 3PZ 0.04756 0.02585 -0.06045 -0.01204 -0.01002 185 4XX -0.00507 0.00353 0.00573 0.00299 -0.00892 186 4YY -0.00109 -0.00845 0.00587 -0.00026 0.00266 187 4ZZ 0.00735 0.00509 -0.01242 -0.00274 0.00374 188 4XY 0.00394 0.00191 -0.00367 -0.00382 0.00335 189 4XZ 0.00117 0.00402 -0.00562 0.00202 -0.00134 190 4YZ -0.00104 0.00452 -0.00145 0.00315 -0.00050 191 18 O 1S 0.00353 -0.00136 -0.00167 0.00070 -0.00238 192 2S -0.00826 0.00215 0.00249 0.00024 0.00288 193 2PX -0.04707 -0.11034 0.04725 0.06234 -0.11901 194 2PY 0.09556 -0.05600 -0.13512 -0.01726 -0.06428 195 2PZ 0.09740 0.04807 -0.13576 -0.05794 0.06134 196 3S -0.01237 0.00233 0.00960 -0.01303 0.02007 197 3PX -0.03003 -0.07109 0.03091 0.04159 -0.07731 198 3PY 0.05682 -0.03700 -0.08297 -0.01362 -0.03593 199 3PZ 0.06127 0.03067 -0.08754 -0.03470 0.03799 200 4XX 0.00170 0.00664 -0.00209 -0.00185 0.00417 201 4YY 0.00657 -0.00500 -0.00883 -0.00101 -0.00339 202 4ZZ -0.00781 -0.00288 0.00926 0.00464 -0.00367 203 4XY -0.00392 -0.00343 0.00517 0.00308 -0.00371 204 4XZ -0.00150 0.00495 0.00166 -0.00095 0.00334 205 4YZ 0.00087 0.00453 -0.00130 -0.00144 0.00394 206 19 O 1S -0.00086 -0.00071 0.00164 0.00021 0.00203 207 2S 0.00370 0.00088 -0.00464 0.00119 -0.00166 208 2PX 0.08264 -0.11874 -0.05907 0.00689 0.16758 209 2PY -0.01648 0.02513 -0.00208 0.00439 -0.03969 210 2PZ -0.11467 -0.02619 0.18924 0.10894 -0.04938 211 3S -0.00190 -0.00255 -0.00037 -0.00710 -0.02084 212 3PX 0.05217 -0.07730 -0.04089 0.00386 0.10772 213 3PY -0.00967 0.01803 -0.00145 0.00468 -0.02095 214 3PZ -0.07087 -0.01686 0.12110 0.06800 -0.03656 215 4XX -0.00078 0.00156 -0.00039 0.00045 0.00014 216 4YY 0.00274 -0.00212 -0.00142 -0.00047 0.00310 217 4ZZ -0.00041 -0.00040 0.00142 0.00167 -0.00003 218 4XY -0.00520 0.00932 0.00382 0.00021 -0.00900 219 4XZ 0.00065 -0.00022 -0.00118 -0.00015 0.00113 220 4YZ 0.00758 0.00266 -0.01123 -0.00625 0.00307 221 20 H 1S 0.00005 -0.05606 0.09509 0.07168 -0.00467 222 2S 0.01251 -0.05496 0.06911 0.06605 0.00083 223 21 H 1S 0.06010 -0.04816 -0.12629 -0.01081 0.00353 224 2S 0.05914 -0.05008 -0.10410 0.00431 0.00107 225 22 H 1S 0.10738 0.00175 -0.00868 0.00528 -0.01505 226 2S 0.10718 0.01254 -0.00618 -0.00432 -0.01209 227 23 H 1S 0.02865 -0.00529 0.03889 -0.02490 0.04118 228 2S 0.03474 -0.00313 0.03324 -0.01028 0.05346 229 24 H 1S 0.08515 0.04030 0.06084 -0.09340 -0.00748 230 2S 0.05693 0.03898 0.07015 -0.07743 -0.01663 231 25 H 1S 0.01957 -0.03795 0.02624 -0.09040 0.01629 232 2S 0.01722 -0.03303 0.03619 -0.08508 0.01857 233 26 H 1S 0.04171 0.00408 -0.05995 0.17616 0.02539 234 2S 0.04019 0.00295 -0.05174 0.16553 0.03281 46 47 48 49 50 O O O O O Eigenvalues -- -0.33294 -0.32789 -0.30869 -0.29802 -0.27758 1 1 C 1S -0.00614 0.00767 0.01981 -0.00349 -0.00399 2 2S 0.01071 -0.01795 -0.04067 0.00851 0.00732 3 2PX 0.02685 -0.01592 -0.03028 -0.00019 0.00862 4 2PY -0.03235 0.10135 0.11954 -0.01805 -0.01672 5 2PZ -0.01970 -0.01425 0.11587 -0.02003 -0.01755 6 3S 0.04939 -0.03817 -0.12615 0.01264 0.03226 7 3PX 0.01515 -0.00690 -0.02259 0.00186 0.00861 8 3PY -0.01102 0.06435 0.08106 -0.01640 -0.01098 9 3PZ -0.01139 -0.00609 0.06457 -0.00227 -0.01025 10 4XX -0.00160 0.00437 0.00095 0.00023 -0.00023 11 4YY -0.00045 0.00374 -0.00471 0.00020 0.00075 12 4ZZ 0.00034 -0.00638 0.00763 -0.00082 -0.00138 13 4XY 0.00087 0.00049 0.00139 -0.00046 0.00007 14 4XZ -0.00056 0.00093 0.00078 -0.00009 0.00009 15 4YZ 0.00168 -0.00425 -0.00368 0.00086 0.00034 16 2 C 1S 0.00132 0.00031 -0.01132 0.00285 0.00517 17 2S -0.00316 0.00016 0.02891 -0.00795 -0.01233 18 2PX -0.00967 0.03324 0.01119 -0.00248 -0.00285 19 2PY 0.06803 -0.15105 -0.06485 0.03665 0.00949 20 2PZ -0.02342 0.10414 -0.21779 -0.00218 0.04195 21 3S 0.00754 -0.01301 -0.00064 -0.00037 0.00159 22 3PX 0.00581 0.00837 -0.00846 0.00198 0.00619 23 3PY 0.00968 -0.03567 0.05156 0.01759 -0.01400 24 3PZ -0.02021 0.05909 -0.06103 -0.01693 0.00586 25 4XX -0.00046 0.00068 -0.00158 0.00093 0.00057 26 4YY -0.00067 0.00361 -0.01127 -0.00090 0.00242 27 4ZZ 0.00221 -0.00546 0.01155 0.00086 -0.00190 28 4XY -0.00026 -0.00041 0.00256 0.00019 -0.00111 29 4XZ -0.00077 0.00230 0.00233 -0.00045 0.00116 30 4YZ 0.00375 -0.00945 -0.00939 0.00302 0.00116 31 3 C 1S 0.00086 -0.00278 0.01669 0.00173 -0.00609 32 2S -0.00182 0.00737 -0.04478 -0.00642 0.01486 33 2PX 0.02112 -0.03714 -0.02028 0.01318 0.02211 34 2PY -0.06671 0.18353 0.08851 -0.02772 -0.01522 35 2PZ 0.01972 -0.01717 0.17750 0.01777 -0.03491 36 3S 0.00157 0.00734 0.00042 0.01312 -0.00157 37 3PX 0.00821 -0.01398 -0.01954 0.00852 0.01175 38 3PY -0.02070 0.07349 0.06823 -0.00484 -0.01099 39 3PZ 0.00583 -0.00750 0.02269 0.00466 0.00230 40 4XX -0.00043 0.00063 0.00041 0.00053 -0.00001 41 4YY -0.00197 0.00625 -0.00902 -0.00225 0.00037 42 4ZZ 0.00414 -0.00956 0.01362 0.00275 -0.00204 43 4XY 0.00007 -0.00166 0.00200 0.00087 -0.00074 44 4XZ -0.00162 0.00109 0.00206 -0.00030 -0.00110 45 4YZ 0.00187 -0.00447 -0.01173 0.00149 0.00218 46 4 C 1S -0.00151 0.00149 0.00027 -0.00356 0.00020 47 2S 0.01375 -0.00754 0.00390 0.01045 -0.00099 48 2PX -0.00003 0.05265 0.05886 -0.01822 0.04728 49 2PY 0.06887 -0.18679 -0.07398 0.04657 0.05155 50 2PZ -0.02209 0.05159 -0.21521 -0.04919 0.01658 51 3S -0.02868 -0.00519 -0.04135 0.01662 -0.00138 52 3PX -0.04334 0.00912 0.02061 -0.01352 0.05105 53 3PY 0.01737 -0.09012 -0.04812 0.00912 0.05992 54 3PZ -0.01246 0.01680 -0.08335 -0.02403 0.00768 55 4XX 0.00198 -0.00356 0.00996 0.00671 -0.00210 56 4YY -0.00307 0.01108 -0.00656 -0.00609 0.00034 57 4ZZ 0.00184 -0.00390 -0.00328 -0.00197 0.00223 58 4XY 0.00290 -0.00643 0.00414 0.00181 -0.00072 59 4XZ -0.00096 0.00401 -0.00148 0.00092 -0.00361 60 4YZ 0.00434 -0.01259 -0.00891 0.00613 0.00189 61 5 C 1S -0.00346 -0.00941 -0.00987 -0.00780 0.02108 62 2S 0.00154 0.01687 0.02723 0.01414 -0.03077 63 2PX 0.00084 0.05069 -0.10539 0.13345 -0.12609 64 2PY -0.02919 0.11938 0.00060 -0.11825 -0.05683 65 2PZ 0.05136 -0.00709 0.11572 0.13429 -0.08795 66 3S 0.04974 0.07003 0.03204 0.07304 -0.24044 67 3PX -0.01463 0.04374 -0.07375 0.09599 -0.08566 68 3PY -0.01178 0.05372 -0.02516 -0.05339 -0.10233 69 3PZ 0.06691 0.01680 0.06315 0.08798 -0.05592 70 4XX 0.00410 -0.00407 0.00389 0.00510 -0.00555 71 4YY -0.00226 0.00558 -0.00299 -0.00488 0.00701 72 4ZZ -0.00310 -0.00376 -0.00286 -0.00102 0.00296 73 4XY -0.00122 0.00414 0.00774 0.00473 -0.00122 74 4XZ -0.00161 0.00201 -0.00005 -0.00121 -0.00674 75 4YZ 0.00184 -0.00685 -0.00852 0.00794 0.00129 76 6 C 1S -0.00154 -0.00981 0.01032 -0.00906 -0.01940 77 2S -0.00160 0.01645 -0.02933 0.01559 0.02757 78 2PX -0.00567 0.09594 0.11420 0.07161 0.12008 79 2PY 0.05136 -0.06495 -0.03611 0.22044 0.05214 80 2PZ 0.00831 0.06887 -0.10245 -0.00174 0.07930 81 3S 0.04179 0.07680 -0.03340 0.09045 0.22835 82 3PX -0.02302 0.06034 0.09014 0.06568 0.10208 83 3PY 0.04373 -0.01165 -0.02767 0.13115 -0.00735 84 3PZ 0.03125 0.04378 -0.03713 0.01937 0.09466 85 4XX 0.00300 -0.00044 -0.00830 0.00626 0.00248 86 4YY -0.00336 0.00375 -0.00196 -0.00979 0.00062 87 4ZZ -0.00011 -0.00572 0.01190 0.00239 -0.00727 88 4XY 0.00351 -0.00463 0.00423 0.00359 0.00708 89 4XZ -0.00170 0.00544 -0.00290 0.00131 0.00234 90 4YZ -0.00163 -0.00349 -0.00134 0.00370 0.00264 91 7 C 1S -0.00183 0.00216 -0.00268 -0.00340 0.00050 92 2S 0.01539 -0.00798 0.00012 0.01117 -0.00049 93 2PX -0.00062 -0.03243 -0.05784 0.00092 -0.06329 94 2PY -0.06712 0.15082 0.07947 -0.06858 0.00638 95 2PZ 0.01733 -0.09187 0.23066 -0.00698 -0.04249 96 3S -0.03708 -0.00389 0.05956 0.00616 -0.00307 97 3PX -0.04468 -0.02744 -0.01237 -0.01180 -0.06837 98 3PY -0.03443 0.05734 0.00674 -0.02779 0.01633 99 3PZ -0.00255 -0.04022 0.11000 -0.02049 -0.04103 100 4XX 0.00268 -0.00541 -0.01124 0.00553 0.00107 101 4YY -0.00397 0.01513 -0.00290 -0.00704 0.00235 102 4ZZ 0.00203 -0.00573 0.01323 0.00024 -0.00367 103 4XY 0.00169 -0.00194 0.00017 0.00623 0.00212 104 4XZ 0.00047 0.00148 0.00272 0.00019 0.00307 105 4YZ 0.00389 -0.00938 -0.00165 0.00253 -0.00055 106 8 C 1S 0.00275 -0.01225 0.00582 -0.00627 -0.00312 107 2S -0.00379 0.02830 -0.01494 0.01326 0.01161 108 2PX -0.00311 0.06440 0.02854 0.03563 0.05276 109 2PY 0.08626 -0.19754 -0.06781 0.07004 0.02479 110 2PZ -0.02716 0.08532 -0.16092 -0.00474 0.00427 111 3S -0.02443 0.03757 -0.03302 0.02085 -0.00814 112 3PX -0.00340 0.02931 0.00437 0.01761 0.02444 113 3PY 0.03320 -0.10077 -0.03423 0.03955 0.00830 114 3PZ -0.01756 0.04059 -0.06834 -0.00186 -0.01038 115 4XX 0.00298 -0.00838 -0.01266 0.00026 -0.00275 116 4YY -0.00319 0.00991 -0.00442 -0.00230 0.00256 117 4ZZ 0.00186 -0.00567 0.01790 0.00147 -0.00030 118 4XY 0.00111 -0.00058 0.00100 0.00115 0.00315 119 4XZ 0.00039 0.00019 0.00452 0.00194 0.00044 120 4YZ 0.00204 -0.00659 -0.00106 0.00086 0.00001 121 9 C 1S 0.00318 -0.01043 -0.00461 -0.00621 0.00267 122 2S -0.00491 0.02548 0.01197 0.01252 -0.01041 123 2PX 0.00815 -0.03848 -0.02947 0.05219 -0.05748 124 2PY -0.08244 0.20265 0.04942 -0.03537 -0.00325 125 2PZ 0.02852 -0.08345 0.16303 0.03816 -0.00999 126 3S -0.02895 0.02642 0.02452 0.02320 0.01122 127 3PX -0.00108 -0.02334 -0.00654 0.02842 -0.02729 128 3PY -0.04010 0.09607 0.01978 -0.01942 0.00415 129 3PZ 0.00283 -0.04461 0.07248 0.02286 0.00573 130 4XX 0.00212 -0.00555 0.01108 0.00003 0.00067 131 4YY -0.00093 0.00556 -0.00806 -0.00033 0.00053 132 4ZZ 0.00091 -0.00361 -0.00387 -0.00028 -0.00067 133 4XY 0.00292 -0.00633 0.00420 0.00172 0.00277 134 4XZ -0.00196 0.00279 -0.00205 0.00087 -0.00343 135 4YZ 0.00373 -0.00930 -0.01324 0.00285 -0.00024 136 10 H 1S 0.02449 -0.05384 -0.12631 0.01052 0.00016 137 2S 0.02146 -0.06464 -0.15081 0.00868 0.00732 138 11 H 1S 0.02410 -0.04894 0.08665 -0.00100 0.03054 139 2S 0.02603 -0.05562 0.09632 -0.00653 0.03335 140 12 H 1S 0.01434 -0.05973 -0.08536 -0.00366 -0.02931 141 2S 0.01556 -0.06606 -0.09607 -0.00967 -0.03309 142 13 H 1S 0.01556 -0.04871 0.13173 0.00927 -0.00291 143 2S 0.01289 -0.05886 0.15947 0.00655 -0.01176 144 14 H 1S -0.05028 0.13897 0.00520 -0.05563 0.01990 145 2S -0.05561 0.14450 0.01210 -0.09290 -0.01475 146 15 C 1S -0.00314 -0.00042 0.00024 -0.01551 -0.01794 147 2S 0.00647 0.00122 -0.00229 0.03490 0.04694 148 2PX 0.02159 0.02130 -0.00174 -0.03821 -0.07527 149 2PY -0.03683 -0.00831 0.00459 -0.07161 -0.04942 150 2PZ -0.08537 -0.02725 0.00835 -0.00276 -0.03246 151 3S 0.01793 -0.00938 -0.00855 0.08171 0.04551 152 3PX 0.01615 0.05078 0.00886 0.07634 0.04959 153 3PY 0.01708 0.00634 0.00288 -0.00483 -0.00189 154 3PZ -0.04878 0.00674 0.01584 0.04446 0.02507 155 4XX -0.00417 -0.00038 -0.00439 0.01127 -0.00228 156 4YY -0.01065 -0.00200 0.00134 -0.00993 0.00231 157 4ZZ 0.01456 0.00253 0.00214 -0.00034 -0.00181 158 4XY 0.01423 0.01816 0.00084 0.02589 0.03120 159 4XZ 0.00565 -0.00062 0.00104 0.00012 -0.00638 160 4YZ -0.02308 -0.00039 0.00709 0.02134 0.01489 161 16 O 1S -0.00085 0.00762 0.00022 0.02334 -0.00125 162 2S 0.00126 -0.01985 -0.00013 -0.04462 0.00257 163 2PX -0.12889 0.06248 0.00304 0.17764 0.03711 164 2PY 0.11773 0.07381 -0.02382 0.03549 -0.20325 165 2PZ 0.33175 0.14402 0.01328 0.01743 0.08601 166 3S 0.01483 -0.06022 -0.00193 -0.20446 0.00981 167 3PX -0.10556 0.04151 0.00274 0.15220 0.02821 168 3PY 0.08648 0.05240 -0.01965 0.03209 -0.15822 169 3PZ 0.24733 0.10502 0.01096 0.01629 0.06657 170 4XX 0.01050 0.00063 0.00013 -0.00033 -0.00095 171 4YY -0.00282 0.00206 0.00080 0.00829 0.00124 172 4ZZ -0.00783 -0.00116 -0.00050 0.00815 -0.00100 173 4XY -0.00286 -0.00247 0.00020 -0.00197 0.00236 174 4XZ -0.01150 -0.00391 -0.00040 0.00028 -0.00132 175 4YZ -0.00612 -0.00329 0.00059 -0.00019 0.00065 176 17 C 1S -0.00144 0.00054 -0.00046 -0.01379 0.01931 177 2S 0.00162 -0.00068 0.00327 0.03040 -0.05079 178 2PX 0.03419 0.02407 0.00209 -0.05252 0.08465 179 2PY -0.03561 -0.00556 -0.00233 0.03177 0.01437 180 2PZ -0.09507 -0.02637 -0.01225 -0.04196 0.04978 181 3S 0.00988 -0.01446 0.00583 0.07899 -0.04794 182 3PX 0.03754 0.04849 -0.00258 0.05859 -0.04899 183 3PY -0.03795 0.01802 -0.01207 0.05819 -0.04242 184 3PZ -0.03096 0.00135 -0.01135 0.01587 -0.00887 185 4XX 0.00537 0.01003 0.00406 0.01956 -0.01774 186 4YY 0.01702 -0.00599 0.00437 -0.02622 0.02821 187 4ZZ -0.02263 -0.00368 -0.00744 0.00795 -0.00885 188 4XY -0.01225 -0.00850 -0.00031 0.00333 0.01401 189 4XZ 0.00509 0.00936 -0.00295 0.01253 -0.01900 190 4YZ 0.01827 0.00838 -0.00101 0.01347 -0.00980 191 18 O 1S -0.00045 0.00133 -0.00016 0.00098 -0.00020 192 2S 0.00365 -0.00395 0.00014 -0.00235 -0.00170 193 2PX 0.18934 0.15072 0.01184 0.25722 -0.32556 194 2PY -0.16504 0.03221 -0.05764 0.18995 -0.25596 195 2PZ -0.24337 -0.05904 -0.05733 0.15655 -0.07869 196 3S -0.01460 -0.00622 0.00067 -0.01586 0.01354 197 3PX 0.13330 0.09879 0.00936 0.17225 -0.22365 198 3PY -0.11402 0.01661 -0.03827 0.12632 -0.17519 199 3PZ -0.16496 -0.04171 -0.03921 0.10868 -0.05447 200 4XX -0.00646 -0.00501 -0.00044 -0.00494 0.00778 201 4YY -0.00796 0.00062 -0.00303 0.01057 -0.01162 202 4ZZ 0.01687 0.00358 0.00295 -0.00519 0.00164 203 4XY 0.01027 0.00492 0.00177 0.00304 -0.00331 204 4XZ 0.00020 -0.00281 0.00075 -0.00831 0.00871 205 4YZ -0.00295 -0.00251 -0.00037 -0.00075 0.00410 206 19 O 1S -0.00074 0.00157 0.00029 0.00106 0.00004 207 2S 0.00508 -0.00452 -0.00059 -0.00231 0.00263 208 2PX 0.13336 0.15923 0.00620 0.30915 0.34998 209 2PY 0.00274 -0.00935 0.00188 0.08160 0.00353 210 2PZ -0.30000 -0.03831 0.07980 0.21608 0.16764 211 3S -0.01667 -0.00777 -0.00107 -0.01715 -0.01404 212 3PX 0.09570 0.10301 0.00199 0.20688 0.24119 213 3PY 0.00546 -0.00472 0.00147 0.05790 0.00373 214 3PZ -0.20636 -0.02997 0.05408 0.14707 0.11505 215 4XX 0.00017 -0.00056 -0.00025 0.00052 -0.00094 216 4YY 0.00277 0.00022 -0.00020 -0.00296 0.00124 217 4ZZ 0.00004 -0.00052 0.00087 0.00317 0.00229 218 4XY -0.00681 -0.00713 0.00002 -0.01144 -0.01254 219 4XZ 0.00264 0.00118 -0.00039 0.00064 0.00029 220 4YZ 0.01626 0.00308 -0.00367 -0.00848 -0.00589 221 20 H 1S -0.00473 -0.04352 0.08599 0.01408 -0.04717 222 2S 0.01245 -0.05025 0.11215 0.01044 -0.06117 223 21 H 1S -0.00788 -0.04611 -0.08169 0.01973 0.04730 224 2S 0.01192 -0.05373 -0.10433 0.01678 0.06206 225 22 H 1S -0.05195 0.15058 -0.01316 -0.05869 -0.01660 226 2S -0.05555 0.14636 -0.01481 -0.09250 0.02067 227 23 H 1S 0.02443 -0.04334 0.11579 0.01611 -0.01933 228 2S 0.02170 -0.05168 0.15822 0.01752 -0.03013 229 24 H 1S 0.00107 0.04033 0.00714 -0.00392 0.00142 230 2S -0.03090 0.03342 0.01926 -0.00176 -0.00930 231 25 H 1S -0.01827 0.03565 0.01003 0.00181 -0.00284 232 2S -0.02451 0.04099 0.01322 0.00200 -0.00266 233 26 H 1S -0.00204 -0.03718 0.05883 -0.00842 -0.00899 234 2S -0.00321 -0.03547 0.08641 -0.01337 -0.01561 51 52 53 54 55 O V V V V Eigenvalues -- -0.25085 -0.03108 -0.00852 0.01015 0.06143 1 1 C 1S 0.00060 0.00114 -0.00482 -0.00021 -0.01857 2 2S -0.00067 -0.01032 0.01413 -0.00082 0.01348 3 2PX -0.10679 0.00232 -0.00042 0.00020 -0.02441 4 2PY -0.02473 0.01179 -0.01454 0.00513 0.06843 5 2PZ -0.00104 0.00408 -0.01188 -0.00021 0.02892 6 3S -0.00650 0.04258 0.02195 0.00658 0.38766 7 3PX -0.03484 0.02841 -0.01805 -0.03702 -0.04843 8 3PY -0.01061 0.01598 0.00121 0.00209 0.16433 9 3PZ 0.00000 -0.00274 -0.03386 -0.00099 0.09117 10 4XX 0.00723 0.00051 0.00028 -0.00962 -0.00247 11 4YY -0.00697 -0.00185 0.00055 0.00909 -0.00009 12 4ZZ 0.00002 -0.00061 0.00004 0.00030 -0.00201 13 4XY -0.01829 -0.00121 -0.00159 0.02397 -0.00134 14 4XZ -0.00179 -0.00083 -0.00032 0.01078 -0.00105 15 4YZ -0.00054 -0.00025 -0.00008 0.00258 0.00428 16 2 C 1S 0.00090 -0.00012 -0.00045 0.00032 -0.01579 17 2S -0.00522 -0.01175 0.03123 0.00332 0.04912 18 2PX 0.35538 0.02556 0.03149 -0.41783 -0.00722 19 2PY 0.07957 0.00436 -0.00447 -0.08885 0.00993 20 2PZ 0.00636 -0.00007 0.00255 -0.00838 -0.00737 21 3S -0.00250 0.10870 -0.11128 -0.02284 0.10105 22 3PX 0.24719 0.05597 0.00037 -0.52745 0.02191 23 3PY 0.05327 -0.04344 -0.00119 -0.10097 -0.03510 24 3PZ 0.00315 -0.04334 0.07565 0.00075 -0.04564 25 4XX 0.00759 0.00102 -0.00470 0.00661 -0.00276 26 4YY -0.00782 0.00052 0.00422 -0.00646 0.00037 27 4ZZ -0.00033 -0.00144 0.00366 0.00036 0.00428 28 4XY -0.01768 0.00209 -0.00362 -0.01735 0.00027 29 4XZ 0.00618 0.00056 0.00015 0.00938 0.00284 30 4YZ 0.00102 -0.00187 0.00133 0.00129 -0.00933 31 3 C 1S 0.00156 0.00037 -0.00033 -0.00015 -0.03077 32 2S -0.00737 0.00900 0.03228 -0.00511 0.07553 33 2PX 0.38077 -0.02796 0.04137 0.38121 -0.01036 34 2PY 0.08517 -0.00669 0.02035 0.08742 -0.01917 35 2PZ 0.01099 -0.00045 -0.00652 0.00631 0.03700 36 3S 0.00047 -0.10831 -0.15075 0.02650 0.20343 37 3PX 0.28922 -0.04934 0.01807 0.52783 0.00425 38 3PY 0.06653 -0.01642 0.01145 0.12003 -0.00767 39 3PZ 0.00177 0.05596 0.05511 -0.00818 0.15631 40 4XX -0.00510 -0.00163 -0.00511 0.00789 -0.00154 41 4YY 0.00525 -0.00048 0.00193 -0.00852 0.00658 42 4ZZ -0.00056 0.00201 0.00607 0.00002 -0.00752 43 4XY 0.01510 0.00111 -0.00138 -0.01966 -0.00160 44 4XZ -0.00515 -0.00163 -0.00035 0.00951 0.00107 45 4YZ -0.00100 0.00056 -0.00007 0.00196 0.00129 46 4 C 1S -0.00105 -0.01690 -0.03227 -0.00478 -0.02465 47 2S 0.00070 0.02385 0.03196 0.00192 0.04047 48 2PX -0.07510 0.06195 0.06324 0.00223 -0.01101 49 2PY -0.01958 0.02768 0.03360 -0.00102 -0.09463 50 2PZ -0.00987 -0.03544 -0.05118 -0.01073 0.03110 51 3S 0.01291 0.23186 0.44390 0.10144 0.33449 52 3PX -0.03295 0.08809 0.06942 0.14469 -0.00655 53 3PY -0.00244 0.08569 0.20082 0.02683 -0.14707 54 3PZ -0.01087 -0.05126 -0.14322 -0.04790 0.14387 55 4XX -0.00261 -0.00164 -0.00728 -0.00336 0.00193 56 4YY 0.00233 0.00009 -0.00051 0.00302 -0.00968 57 4ZZ 0.00007 0.00006 -0.00086 -0.00021 0.00341 58 4XY 0.00701 -0.00120 -0.00028 0.01048 0.00161 59 4XZ 0.01533 -0.00484 -0.00151 0.02238 -0.00239 60 4YZ 0.00264 -0.00170 -0.00209 0.00426 0.00968 61 5 C 1S 0.02057 0.00262 -0.00634 0.02745 -0.04182 62 2S -0.04832 0.00417 0.01932 -0.05056 0.06412 63 2PX 0.06457 -0.01078 0.02515 0.05015 0.03261 64 2PY 0.01462 -0.01265 -0.00593 0.03962 -0.08602 65 2PZ -0.07579 0.01629 -0.04580 -0.06678 -0.09141 66 3S -0.10350 -0.08583 0.07302 -0.23605 0.55147 67 3PX 0.03774 0.11771 0.23805 0.11309 0.07151 68 3PY 0.02919 -0.05553 -0.06865 0.14902 -0.25421 69 3PZ -0.04808 -0.08427 -0.18456 -0.15236 -0.17861 70 4XX -0.00141 0.01389 0.02207 0.00049 -0.00996 71 4YY -0.00125 -0.00309 -0.00560 0.00197 -0.00011 72 4ZZ 0.00335 -0.01146 -0.01654 0.00310 0.00434 73 4XY -0.00084 -0.00164 -0.00330 -0.00397 0.00605 74 4XZ -0.00172 -0.00724 -0.00955 -0.00254 0.00127 75 4YZ 0.00400 -0.01013 -0.01527 0.00395 -0.00602 76 6 C 1S 0.01851 -0.00240 -0.00785 -0.02675 -0.04135 77 2S -0.04566 -0.00511 0.02197 0.05361 0.06400 78 2PX 0.06232 0.01430 0.02670 -0.07354 0.02291 79 2PY -0.03790 -0.01323 -0.01850 0.05048 0.00125 80 2PZ -0.04888 -0.00209 -0.03881 0.02911 -0.13177 81 3S -0.09326 0.08224 0.08854 0.21696 0.56999 82 3PX 0.03625 -0.12054 0.20306 -0.17583 0.02509 83 3PY -0.03298 -0.01650 -0.00001 0.14953 0.02705 84 3PZ -0.00873 0.13033 -0.20712 0.00972 -0.32437 85 4XX -0.00205 -0.01462 0.01861 0.00044 -0.00481 86 4YY -0.00258 -0.00013 0.00106 0.00085 0.00432 87 4ZZ 0.00445 0.01533 -0.01991 -0.00548 -0.00362 88 4XY -0.00064 -0.00048 0.00221 -0.00134 -0.00839 89 4XZ -0.00165 0.01010 -0.01254 0.00408 0.00347 90 4YZ 0.00248 0.00885 -0.01041 0.00076 0.00491 91 7 C 1S -0.00030 0.01961 -0.03078 0.00500 -0.03106 92 2S -0.00011 -0.02650 0.02804 -0.00300 0.06074 93 2PX -0.05940 -0.07904 0.07156 -0.00731 -0.04966 94 2PY -0.01594 0.02350 -0.03281 0.00858 0.08721 95 2PZ -0.00432 0.01616 -0.02057 0.00885 -0.02460 96 3S 0.00281 -0.26814 0.44082 -0.09557 0.33916 97 3PX -0.02594 -0.13246 0.13728 -0.13817 -0.07909 98 3PY -0.01441 0.07705 -0.18772 0.00512 0.25572 99 3PZ 0.00176 -0.01418 0.04463 0.03006 -0.03320 100 4XX -0.00168 0.00129 -0.00602 0.00295 0.00152 101 4YY 0.00189 0.00048 -0.00065 -0.00303 -0.00903 102 4ZZ -0.00027 0.00049 -0.00192 0.00092 0.00302 103 4XY 0.00398 0.00374 -0.00394 -0.00718 0.00403 104 4XZ 0.01453 0.00379 -0.00101 -0.02412 -0.00192 105 4YZ 0.00328 0.00107 0.00000 -0.00550 0.00677 106 8 C 1S -0.01774 0.00001 0.00077 0.02547 -0.04738 107 2S 0.04333 0.00574 -0.00058 -0.04916 0.06586 108 2PX 0.04856 0.01869 -0.02675 -0.04697 -0.07442 109 2PY 0.05532 0.02492 -0.01217 -0.06822 0.01098 110 2PZ 0.05401 0.01536 -0.04280 -0.02948 -0.08763 111 3S 0.07976 -0.01049 -0.01338 -0.23182 0.70127 112 3PX 0.02246 0.03137 -0.08313 -0.03166 -0.21164 113 3PY 0.04609 0.03682 -0.03469 -0.09684 0.03299 114 3PZ -0.00174 0.02688 -0.11835 0.01208 -0.21624 115 4XX 0.00308 -0.00211 0.00301 -0.00269 -0.00599 116 4YY 0.00196 0.00293 -0.00148 -0.00155 0.00514 117 4ZZ -0.00525 0.00051 -0.00319 0.00870 -0.00751 118 4XY -0.00080 0.00026 0.00111 -0.00235 0.00543 119 4XZ 0.00082 -0.00047 0.00121 0.00181 0.00055 120 4YZ -0.00329 0.00057 -0.00118 0.00210 0.00193 121 9 C 1S -0.02074 0.00027 -0.00021 -0.02790 -0.04328 122 2S 0.04781 -0.00604 0.00044 0.04945 0.06036 123 2PX 0.06654 -0.02207 -0.02157 0.05689 -0.04190 124 2PY 0.02461 0.00130 -0.03165 -0.01063 -0.09064 125 2PZ 0.08376 -0.02385 -0.03411 0.06893 -0.04635 126 3S 0.10307 0.00942 -0.00398 0.26938 0.60982 127 3PX 0.03675 -0.03120 -0.07343 0.04623 -0.11508 128 3PY -0.01476 -0.00029 -0.09010 -0.05873 -0.24681 129 3PZ 0.03899 -0.03524 -0.09086 0.07957 -0.08385 130 4XX 0.00263 0.00105 0.00288 0.00352 -0.00201 131 4YY 0.00085 -0.00027 -0.00098 -0.00410 -0.00579 132 4ZZ -0.00481 -0.00173 -0.00393 -0.00584 -0.00111 133 4XY 0.00087 0.00162 0.00179 -0.00118 -0.00506 134 4XZ 0.00096 -0.00103 0.00086 0.00116 0.00662 135 4YZ -0.00527 0.00111 -0.00085 -0.00516 -0.00452 136 10 H 1S -0.03819 0.00361 -0.00509 -0.03892 -0.02251 137 2S -0.07636 -0.01945 -0.14659 -0.15083 -0.53875 138 11 H 1S 0.00883 0.00878 0.01181 0.00926 -0.02635 139 2S -0.02175 0.02228 0.00959 -0.10479 -0.41314 140 12 H 1S 0.00917 -0.01008 0.01113 -0.00974 -0.02601 141 2S -0.00984 -0.02037 0.01166 0.05180 -0.47521 142 13 H 1S -0.03025 -0.00329 -0.00418 0.04025 -0.02225 143 2S -0.06746 0.02894 -0.14151 0.16261 -0.56693 144 14 H 1S 0.00009 0.00177 0.00091 -0.00110 -0.04612 145 2S 0.00723 -0.00770 0.03943 -0.00151 -0.57402 146 15 C 1S 0.00107 -0.00273 -0.00399 0.00213 0.02206 147 2S -0.01582 0.01655 0.02781 0.01101 -0.01476 148 2PX 0.00456 -0.18949 0.16938 -0.03724 -0.07157 149 2PY 0.00658 0.03837 -0.04948 0.01107 0.03944 150 2PZ -0.00223 0.38219 -0.26856 0.05222 0.08064 151 3S 0.04845 0.01397 -0.08722 -0.11137 -0.35137 152 3PX -0.00487 -0.17482 0.16136 -0.00690 -0.09994 153 3PY -0.00690 0.06714 0.00922 -0.06991 -0.03142 154 3PZ 0.01441 0.28897 -0.23841 0.05106 0.11701 155 4XX -0.00344 0.00022 -0.00901 0.00329 0.00450 156 4YY -0.00051 -0.00454 -0.00055 -0.00114 0.00417 157 4ZZ 0.00146 0.00608 0.00820 -0.00185 -0.00257 158 4XY -0.00232 0.01104 -0.00539 0.00214 -0.00212 159 4XZ -0.00170 -0.00057 0.01191 0.00545 0.00439 160 4YZ -0.00016 -0.01868 0.01556 -0.00332 -0.00215 161 16 O 1S 0.00208 -0.00038 0.00501 0.00073 -0.02272 162 2S 0.00073 0.00108 -0.01808 -0.00124 0.04749 163 2PX 0.02099 0.00412 -0.13611 -0.00236 -0.01561 164 2PY 0.01045 0.00595 0.08728 0.02494 -0.03566 165 2PZ -0.00154 -0.01725 0.26568 -0.01746 -0.08143 166 3S -0.04356 0.00137 0.01410 -0.00796 0.21636 167 3PX 0.02382 0.00329 -0.14618 -0.00484 -0.03293 168 3PY 0.01148 0.01285 0.07612 0.03621 -0.03426 169 3PZ -0.00099 -0.01942 0.24200 -0.02435 -0.08920 170 4XX 0.00103 0.00548 -0.00977 0.00103 -0.00037 171 4YY 0.00101 0.01160 0.00653 0.00228 -0.00530 172 4ZZ 0.00332 -0.01710 0.00138 -0.00285 -0.00584 173 4XY -0.00071 -0.01527 -0.00193 -0.00228 0.00146 174 4XZ -0.00126 0.00098 0.00680 -0.00014 0.00146 175 4YZ 0.00139 0.01971 0.00044 0.00374 0.00028 176 17 C 1S 0.00006 0.00321 -0.00377 -0.00320 0.02038 177 2S -0.01392 -0.01885 0.02481 -0.01528 -0.01513 178 2PX 0.00807 0.20143 0.20101 0.03580 -0.06414 179 2PY -0.00904 -0.16922 -0.11554 -0.01167 0.00540 180 2PZ -0.00736 -0.29659 -0.27627 -0.04043 0.09037 181 3S 0.06464 -0.00741 -0.08141 0.15877 -0.31936 182 3PX -0.00088 0.16158 0.20807 0.03838 -0.10898 183 3PY 0.00574 -0.09086 -0.13138 -0.08021 0.07997 184 3PZ 0.01023 -0.25530 -0.20213 0.04321 0.07260 185 4XX -0.00292 -0.00653 -0.01568 -0.00158 0.00256 186 4YY -0.00049 -0.01097 -0.00314 -0.00298 0.00534 187 4ZZ 0.00159 0.01586 0.01722 0.00423 -0.00154 188 4XY -0.00261 0.01049 0.01143 -0.00446 0.00327 189 4XZ -0.00180 -0.00221 0.00653 -0.00423 0.00166 190 4YZ 0.00060 -0.00886 0.00533 -0.00105 -0.00398 191 18 O 1S 0.00137 -0.00132 0.00122 0.00597 -0.01084 192 2S 0.00069 0.00137 -0.00427 -0.00148 0.01910 193 2PX -0.00765 -0.15130 -0.13831 -0.00114 0.02956 194 2PY -0.01529 0.12502 0.07292 0.00125 -0.00528 195 2PZ -0.01304 0.22512 0.18747 0.01016 -0.06547 196 3S -0.02695 0.02294 -0.00936 -0.12647 0.14819 197 3PX -0.00315 -0.15171 -0.14619 0.00652 0.02483 198 3PY -0.02046 0.11906 0.08378 -0.02389 0.03207 199 3PZ -0.00295 0.21541 0.19298 0.04343 -0.10375 200 4XX 0.00154 -0.00090 -0.00249 0.00393 -0.00131 201 4YY -0.00049 -0.00248 -0.00088 0.00155 -0.00099 202 4ZZ 0.00247 0.00189 0.00300 0.00459 -0.00281 203 4XY 0.00016 0.00136 0.00178 0.00090 -0.00331 204 4XZ -0.00041 0.00008 0.00119 -0.00355 0.00305 205 4YZ 0.00075 -0.00125 -0.00105 0.00181 -0.00273 206 19 O 1S -0.00004 0.00088 0.00097 -0.00360 -0.01239 207 2S 0.00324 0.00102 -0.00488 -0.00320 0.02570 208 2PX -0.02877 0.14023 -0.11848 0.01361 0.02904 209 2PY -0.00017 -0.03058 0.03531 -0.00866 -0.03174 210 2PZ -0.01938 -0.28160 0.17771 -0.02631 -0.04925 211 3S -0.01175 -0.02343 -0.00167 0.09421 0.15466 212 3PX -0.02040 0.14337 -0.12248 0.01494 0.05012 213 3PY 0.00573 -0.02741 0.02722 -0.03510 -0.08994 214 3PZ -0.01832 -0.27334 0.19133 -0.02796 -0.05086 215 4XX 0.00116 0.00064 -0.00182 -0.00422 -0.00304 216 4YY 0.00066 0.00002 0.00121 -0.00156 0.00435 217 4ZZ 0.00122 0.00197 -0.00080 -0.00448 -0.00365 218 4XY 0.00118 0.00120 -0.00140 0.00085 0.00280 219 4XZ -0.00035 0.00021 0.00156 0.00150 0.00066 220 4YZ 0.00117 -0.00328 0.00264 -0.00076 -0.00271 221 20 H 1S 0.02607 0.07282 -0.07975 -0.02671 -0.00966 222 2S 0.05846 0.22891 -0.40951 -0.11375 -0.65023 223 21 H 1S 0.02719 -0.06588 -0.08420 0.02881 -0.01433 224 2S 0.05656 -0.19909 -0.41984 0.11708 -0.64169 225 22 H 1S 0.00064 -0.00182 0.00129 0.00049 -0.04872 226 2S 0.00502 0.00351 0.04521 -0.00742 -0.51001 227 23 H 1S 0.00259 0.00805 0.01879 0.00215 -0.02345 228 2S 0.00408 0.00432 0.02886 0.00767 -0.35039 229 24 H 1S -0.09123 -0.00409 -0.00379 0.08064 -0.00525 230 2S -0.12046 -0.06926 0.00527 0.19569 -0.20880 231 25 H 1S 0.09085 0.00559 0.00326 -0.08127 0.00132 232 2S 0.12818 0.02815 -0.03020 -0.21724 -0.23612 233 26 H 1S -0.00007 0.00059 -0.00228 0.00050 -0.00739 234 2S 0.00044 0.00470 0.00331 0.00287 -0.18092 56 57 58 59 60 V V V V V Eigenvalues -- 0.08955 0.10865 0.11171 0.11870 0.13265 1 1 C 1S 0.05878 -0.08674 -0.04559 -0.00614 -0.08725 2 2S -0.07785 0.10286 0.06605 0.00845 0.11598 3 2PX 0.05248 -0.02363 -0.02985 0.08916 0.04087 4 2PY -0.02396 0.11075 0.04822 0.02581 0.01481 5 2PZ 0.00750 0.12424 -0.11768 -0.01994 0.02397 6 3S -0.88757 1.46110 0.64474 0.09278 1.33007 7 3PX 0.16210 -0.06729 -0.10067 0.30717 0.10275 8 3PY -0.09458 0.25950 0.19238 0.09193 0.03358 9 3PZ -0.02753 0.34424 -0.36947 -0.05941 -0.01472 10 4XX 0.00331 -0.00779 -0.00546 0.00185 -0.00680 11 4YY 0.00011 -0.00473 -0.00865 -0.00337 -0.00689 12 4ZZ 0.00948 -0.00723 0.00467 0.00036 -0.00429 13 4XY 0.00063 -0.00124 0.00118 -0.00714 0.00035 14 4XZ 0.00084 -0.00151 -0.00020 0.00200 0.00251 15 4YZ 0.00117 0.00649 0.00032 -0.00030 -0.00222 16 2 C 1S -0.01888 -0.00398 -0.00239 0.00340 0.00368 17 2S 0.01037 0.00412 0.03150 -0.00043 0.02225 18 2PX 0.00761 0.00830 -0.00068 0.06483 0.01972 19 2PY 0.00524 0.02569 -0.03122 0.01121 -0.07666 20 2PZ -0.03973 0.01010 -0.07749 -0.00190 -0.05512 21 3S 0.14586 0.37400 -0.04410 -0.05470 -0.06733 22 3PX -0.04084 0.03621 0.05777 0.01354 0.04045 23 3PY 0.09915 -0.20813 -0.19436 -0.02143 -0.19865 24 3PZ 0.01321 -0.15324 0.08220 0.00741 -0.24329 25 4XX 0.00222 -0.00196 -0.00538 0.00022 -0.00453 26 4YY -0.00500 0.00146 0.02186 0.00323 0.00810 27 4ZZ -0.00939 0.00768 -0.01178 -0.00041 0.00231 28 4XY 0.00097 -0.00245 -0.00835 0.00156 -0.00484 29 4XZ 0.00379 0.00224 -0.00107 0.01352 -0.00329 30 4YZ -0.00539 -0.00498 0.00486 0.00439 0.01660 31 3 C 1S -0.00990 -0.04308 0.03017 0.00912 0.00744 32 2S 0.00002 0.07305 -0.03256 -0.01549 0.01393 33 2PX 0.02870 0.04036 -0.00965 0.05773 -0.00474 34 2PY -0.02952 -0.02463 0.05549 0.02733 -0.03094 35 2PZ -0.03437 0.10113 -0.19005 -0.01505 -0.04361 36 3S 0.12403 0.45990 -0.65297 -0.09481 -0.23261 37 3PX 0.03834 0.07322 0.03475 0.10676 0.01679 38 3PY -0.02425 -0.29386 -0.13312 0.04376 -0.07507 39 3PZ -0.08784 0.43868 -0.46754 -0.08334 -0.03163 40 4XX -0.00055 0.00226 -0.00082 -0.00131 -0.00388 41 4YY 0.00232 -0.00302 -0.01117 0.00175 -0.00067 42 4ZZ -0.00924 -0.00740 0.01425 0.00269 0.01034 43 4XY 0.00068 0.00209 0.00258 0.00726 0.00105 44 4XZ 0.00120 -0.00003 -0.00049 0.00920 0.00277 45 4YZ -0.00191 -0.00229 -0.00644 0.00194 -0.01266 46 4 C 1S 0.01475 0.01639 0.04133 0.01385 0.01627 47 2S -0.01028 -0.02866 -0.05505 -0.01715 -0.03425 48 2PX -0.00855 0.02407 -0.05575 -0.04049 -0.02577 49 2PY -0.01420 -0.02820 0.16736 0.00786 -0.05009 50 2PZ 0.02757 -0.05113 -0.11692 0.02214 -0.00974 51 3S -0.24339 -0.21179 -0.79586 -0.21286 -0.08669 52 3PX -0.06689 -0.01154 -0.22767 -0.15612 -0.03604 53 3PY -0.07868 -0.05251 0.47893 -0.02768 0.02173 54 3PZ 0.18122 -0.14320 -0.36998 0.01750 0.06608 55 4XX -0.00649 -0.00452 -0.00673 0.00821 -0.00216 56 4YY -0.00369 -0.00329 0.01356 -0.00153 0.00368 57 4ZZ 0.01491 0.01011 -0.00141 -0.00520 -0.00003 58 4XY -0.00255 0.00048 -0.00259 -0.00873 -0.00411 59 4XZ 0.00197 0.00032 0.00130 -0.00174 0.00110 60 4YZ 0.00036 0.00319 -0.00611 -0.00124 -0.00007 61 5 C 1S -0.01176 0.01461 0.00342 -0.04063 -0.02643 62 2S -0.00403 -0.02434 -0.01387 0.06528 0.01429 63 2PX 0.01982 -0.02987 -0.01612 0.03099 0.07809 64 2PY -0.10744 0.03817 0.04721 -0.07672 -0.12372 65 2PZ -0.10187 0.00184 -0.02290 -0.05191 -0.04273 66 3S 0.38323 -0.25436 0.03740 0.64229 0.59332 67 3PX -0.11309 -0.16885 -0.02015 0.01198 0.21355 68 3PY -0.29002 0.09590 0.05915 -0.30999 -0.31340 69 3PZ -0.25010 0.04802 0.10122 -0.08843 -0.22217 70 4XX 0.00652 0.00611 0.00649 -0.00323 -0.00521 71 4YY -0.01079 -0.00458 -0.00403 0.00298 0.00469 72 4ZZ 0.00189 -0.00225 -0.00210 -0.00181 -0.00507 73 4XY 0.00159 0.00869 -0.00044 -0.00142 -0.00671 74 4XZ 0.01283 0.00611 0.00198 0.00500 0.00261 75 4YZ -0.00357 -0.00163 0.00632 -0.00803 0.00181 76 6 C 1S -0.01579 0.01297 -0.01427 -0.05535 0.02110 77 2S -0.00046 -0.01861 0.00665 0.08247 -0.02672 78 2PX -0.02515 0.02922 0.03232 0.00041 0.01036 79 2PY -0.01423 0.01499 0.06582 0.01788 -0.04509 80 2PZ -0.13617 -0.00251 -0.12385 -0.10561 0.10609 81 3S 0.42956 -0.16194 0.31894 0.81766 -0.38140 82 3PX -0.23550 -0.02214 0.04746 -0.16454 -0.03129 83 3PY -0.02068 -0.11544 0.11657 0.12889 0.09090 84 3PZ -0.32157 -0.00683 -0.36035 -0.30669 0.38519 85 4XX 0.00454 0.00415 -0.00675 -0.00286 0.00663 86 4YY 0.00263 0.00380 0.00269 0.00609 -0.00565 87 4ZZ -0.01171 -0.00378 0.00017 -0.00925 0.00229 88 4XY 0.01132 0.00098 0.00384 -0.00011 0.00730 89 4XZ 0.00589 0.00232 0.00325 0.00414 0.00136 90 4YZ 0.00853 0.00343 -0.00422 -0.00264 -0.00037 91 7 C 1S 0.02890 -0.02754 0.01316 0.01443 0.02495 92 2S -0.03795 0.06009 -0.04735 -0.01902 -0.03694 93 2PX -0.00827 -0.01046 -0.03685 -0.05221 0.01266 94 2PY -0.02575 0.11257 0.03517 0.00127 -0.19306 95 2PZ 0.00246 -0.00111 -0.07586 0.01285 0.03193 96 3S -0.42657 0.29136 0.10704 -0.20261 -0.52461 97 3PX -0.13758 -0.05922 -0.04452 -0.25401 -0.07627 98 3PY -0.00501 0.42541 0.08685 -0.02116 -0.71167 99 3PZ 0.17100 -0.24143 -0.01559 0.02939 -0.08122 100 4XX -0.00772 -0.00383 -0.00763 0.00180 -0.00716 101 4YY 0.00546 0.00330 0.00152 -0.00024 0.00600 102 4ZZ 0.00779 -0.00252 0.00682 0.00019 0.00317 103 4XY -0.00289 0.00079 -0.00034 0.00269 -0.00878 104 4XZ -0.00373 -0.00074 0.00055 -0.00959 0.00441 105 4YZ 0.01151 0.00128 -0.00343 -0.00544 -0.01066 106 8 C 1S 0.03562 0.02059 -0.03284 0.04581 0.05824 107 2S -0.05493 -0.03592 0.02130 -0.05042 -0.04605 108 2PX 0.16792 0.06286 -0.04952 -0.02827 0.02231 109 2PY -0.05206 -0.02390 0.01067 0.01304 -0.03750 110 2PZ -0.10507 0.02020 -0.10437 0.19035 0.01746 111 3S -0.51039 -0.23656 0.69379 -0.75939 -1.07238 112 3PX 0.49042 0.18150 -0.15530 -0.09247 -0.05878 113 3PY -0.11107 -0.23507 -0.08573 -0.00812 0.11406 114 3PZ -0.25635 0.10880 -0.26838 0.45814 -0.07732 115 4XX 0.01346 0.00674 0.00005 -0.00644 0.00966 116 4YY -0.00123 -0.00085 -0.00218 -0.00201 0.00396 117 4ZZ -0.00550 -0.00058 -0.00626 0.01910 -0.00102 118 4XY -0.00807 -0.00372 -0.00277 0.00217 -0.00212 119 4XZ -0.00596 -0.00479 0.00202 0.00235 0.00354 120 4YZ 0.00494 0.00324 -0.00428 -0.00100 -0.00196 121 9 C 1S 0.01857 0.04967 0.02677 0.02711 -0.05343 122 2S -0.03932 -0.05890 -0.01779 -0.03307 0.04140 123 2PX 0.12683 0.12177 0.02497 -0.05248 -0.02077 124 2PY -0.00231 0.08810 0.02759 0.11653 -0.08716 125 2PZ -0.11864 -0.02038 -0.05284 0.15806 -0.09747 126 3S -0.18653 -0.89806 -0.49681 -0.45547 1.03461 127 3PX 0.32477 0.34376 0.11237 -0.19989 -0.10539 128 3PY 0.06939 0.23346 -0.13390 0.34682 -0.12282 129 3PZ -0.32841 -0.03199 -0.06601 0.35812 -0.34550 130 4XX 0.00631 0.00865 0.00514 -0.00544 -0.00452 131 4YY -0.00550 -0.00288 0.00329 0.00673 -0.00141 132 4ZZ 0.00272 0.00228 -0.00120 0.00459 -0.00628 133 4XY 0.00854 -0.00040 0.00653 -0.00332 0.00276 134 4XZ -0.00962 -0.00897 0.00016 0.00091 0.00195 135 4YZ -0.00731 -0.00337 -0.00012 0.01319 -0.00003 136 10 H 1S -0.03401 -0.01352 -0.01047 0.07399 -0.02355 137 2S -0.31166 0.35306 -0.00210 0.95626 -0.79316 138 11 H 1S 0.06299 0.05160 0.01885 -0.04214 -0.01367 139 2S 0.75640 0.82698 0.35740 -0.26013 -0.29092 140 12 H 1S 0.06349 0.03986 0.00534 -0.04130 0.02950 141 2S 0.99188 0.36905 -0.26446 -0.12368 0.40052 142 13 H 1S -0.02930 -0.00374 -0.03038 0.07923 -0.01687 143 2S -0.21505 0.16943 -0.61056 1.01360 0.29235 144 14 H 1S -0.00134 -0.00190 0.01448 0.00406 0.07038 145 2S 0.21112 -0.60871 -0.13491 0.05448 0.98480 146 15 C 1S -0.02228 -0.00211 0.01308 0.02325 -0.00587 147 2S 0.03933 0.01624 -0.00139 -0.00028 0.03982 148 2PX -0.08518 -0.02729 -0.07091 -0.06423 -0.05596 149 2PY -0.03037 -0.01440 0.02706 0.01754 -0.03432 150 2PZ -0.00547 -0.00985 0.04771 -0.04290 0.01737 151 3S 0.31738 -0.02544 -0.30509 -0.47691 -0.12882 152 3PX -0.10161 -0.08640 -0.09883 -0.13353 -0.02752 153 3PY -0.05537 -0.11540 -0.04899 -0.11327 -0.12010 154 3PZ 0.07878 -0.06410 0.07490 0.01666 -0.07053 155 4XX 0.00070 0.00090 0.00464 0.00398 -0.00797 156 4YY -0.00238 -0.00278 -0.00364 0.00415 0.00612 157 4ZZ 0.00092 0.00049 0.00056 -0.00290 -0.00085 158 4XY -0.00083 -0.00078 -0.00069 -0.00164 0.00312 159 4XZ 0.00085 0.00286 0.00745 0.01213 -0.00409 160 4YZ 0.00035 0.00286 -0.00038 0.00085 0.00206 161 16 O 1S 0.00299 0.00281 -0.00923 -0.03612 -0.01654 162 2S 0.00322 -0.01273 0.01095 0.06845 0.02083 163 2PX 0.03419 0.01372 -0.00086 -0.06629 0.00553 164 2PY -0.01539 0.04169 0.02994 -0.02246 -0.06544 165 2PZ -0.03137 0.01863 -0.05564 -0.03116 -0.00032 166 3S -0.08307 -0.02044 0.11935 0.39320 0.21756 167 3PX 0.06790 0.01837 -0.03251 -0.11361 -0.03268 168 3PY -0.02490 0.08398 0.06305 -0.02817 -0.08999 169 3PZ -0.02831 0.01427 -0.07728 -0.04830 0.00696 170 4XX 0.00355 -0.00140 -0.00029 -0.00533 -0.00064 171 4YY 0.00005 -0.00089 -0.00344 -0.00866 -0.01085 172 4ZZ 0.00422 -0.00294 -0.00719 -0.01106 -0.00734 173 4XY 0.00171 -0.00131 0.00122 0.00233 -0.00134 174 4XZ -0.00049 0.00026 -0.00011 0.00573 0.00337 175 4YZ 0.00176 0.00135 0.00165 0.00017 -0.00228 176 17 C 1S -0.01768 -0.01667 -0.00754 0.02388 0.02707 177 2S 0.03686 0.02605 0.02463 -0.00858 -0.02705 178 2PX -0.09281 -0.01969 -0.05255 -0.03924 -0.04011 179 2PY -0.01084 -0.01121 0.01229 -0.06549 -0.03288 180 2PZ 0.00382 -0.05541 0.01354 -0.00187 0.06510 181 3S 0.22268 0.25989 0.06100 -0.38741 -0.42661 182 3PX -0.15379 -0.03154 0.02065 -0.08594 -0.02526 183 3PY 0.04604 -0.01619 -0.03074 -0.05125 -0.04024 184 3PZ 0.02824 -0.09490 0.06033 0.04189 0.13648 185 4XX -0.00036 -0.00090 -0.00032 0.00220 0.00311 186 4YY 0.00014 -0.00274 -0.00077 0.00747 0.00693 187 4ZZ -0.00082 0.00314 0.00294 0.00057 -0.00301 188 4XY 0.00376 -0.00320 -0.00787 0.00652 0.00699 189 4XZ -0.00062 -0.00090 0.00216 0.00662 0.00460 190 4YZ 0.00253 -0.00029 -0.00260 -0.00326 0.00096 191 18 O 1S 0.00330 0.00230 0.00441 -0.00835 -0.00503 192 2S -0.01109 -0.00449 -0.00839 0.01190 0.00806 193 2PX 0.05414 -0.00162 0.03631 0.03227 0.02917 194 2PY -0.01515 0.00427 0.01979 0.04467 0.01530 195 2PZ -0.01238 0.02335 -0.02027 -0.01869 -0.03533 196 3S -0.00999 -0.02870 -0.07052 0.11587 0.06172 197 3PX 0.06682 0.00420 0.03196 0.02403 0.02270 198 3PY -0.01235 0.00408 -0.01651 0.07610 0.03305 199 3PZ -0.01861 0.03671 0.00542 -0.04450 -0.05621 200 4XX 0.00095 0.00029 0.00103 -0.00262 -0.00017 201 4YY -0.00212 -0.00098 -0.00093 -0.00347 -0.00027 202 4ZZ -0.00046 0.00114 -0.00184 -0.00242 -0.00315 203 4XY -0.00015 -0.00001 0.00170 0.00017 -0.00037 204 4XZ 0.00053 -0.00111 -0.00196 0.00344 0.00353 205 4YZ 0.00048 0.00098 0.00279 -0.00241 -0.00147 206 19 O 1S 0.00659 -0.00814 -0.00862 -0.01670 -0.00866 207 2S -0.01992 0.02096 0.01008 0.02392 0.01475 208 2PX 0.05488 -0.02896 0.02543 0.03070 0.00978 209 2PY 0.01727 0.01421 -0.00627 -0.02994 -0.01347 210 2PZ -0.03088 0.02569 -0.01068 0.02530 0.04370 211 3S -0.04680 0.10229 0.14926 0.26089 0.13376 212 3PX 0.05592 0.00783 0.04443 0.05321 0.01442 213 3PY 0.03796 -0.04286 -0.07225 -0.12654 -0.05993 214 3PZ -0.03219 0.02674 -0.02066 0.02577 0.03160 215 4XX 0.00057 -0.00149 -0.00387 -0.00720 -0.00373 216 4YY -0.00381 0.00684 0.00293 0.00380 0.00128 217 4ZZ -0.00056 -0.00079 -0.00571 -0.00958 -0.00280 218 4XY 0.00074 0.00212 0.00315 0.00247 0.00203 219 4XZ -0.00152 0.00230 0.00307 0.00340 0.00271 220 4YZ 0.00237 -0.00272 -0.00322 -0.00053 -0.00349 221 20 H 1S -0.04893 -0.01566 -0.00347 -0.04877 0.02347 222 2S -0.59666 0.01715 -0.52715 -0.74861 0.57914 223 21 H 1S -0.04045 -0.03264 0.01422 -0.03893 0.00263 224 2S -0.61466 0.16297 0.13630 -0.62426 -0.64058 225 22 H 1S -0.00018 -0.00558 0.06737 0.00692 0.01572 226 2S -0.04863 0.07876 1.11408 0.09458 0.02278 227 23 H 1S -0.03755 -0.03228 0.05810 0.01185 0.05061 228 2S -0.02115 -0.76687 0.92532 0.15373 0.20411 229 24 H 1S -0.00067 -0.01965 -0.02082 -0.03295 -0.02599 230 2S 0.25195 -0.61249 -0.44527 -0.42569 -0.65294 231 25 H 1S 0.00144 -0.02189 -0.02436 0.02763 -0.02341 232 2S 0.55738 -0.62812 -0.58110 0.27754 -0.41073 233 26 H 1S 0.03168 -0.03028 0.02622 0.00310 -0.00363 234 2S 0.35709 -0.89572 0.27088 0.05149 -0.50668 61 62 63 64 65 V V V V V Eigenvalues -- 0.14364 0.15036 0.15381 0.15976 0.16434 1 1 C 1S 0.00346 -0.01934 0.00824 -0.00586 -0.02003 2 2S -0.00394 0.01751 -0.00759 0.01288 0.02243 3 2PX -0.14720 -0.07171 0.21058 -0.05848 -0.10851 4 2PY -0.09289 -0.08529 -0.10438 0.04330 -0.16547 5 2PZ 0.08723 0.09191 0.22917 -0.00520 0.11777 6 3S -0.06527 0.34121 -0.10732 0.05518 0.29847 7 3PX -0.40766 -0.21068 0.64850 -0.12776 -0.30833 8 3PY -0.28085 -0.17522 -0.32959 0.07139 -0.58960 9 3PZ 0.30117 0.08270 0.72798 0.07784 0.36849 10 4XX 0.00402 -0.00418 0.01214 0.00126 0.00889 11 4YY 0.00175 -0.00508 0.00365 -0.00317 0.00388 12 4ZZ -0.00710 0.00496 -0.01393 0.00006 -0.01777 13 4XY 0.00337 0.00138 -0.00205 -0.00061 0.00596 14 4XZ -0.00437 -0.00159 0.00598 -0.00079 -0.00383 15 4YZ -0.00112 -0.00229 0.00287 0.00442 -0.00515 16 2 C 1S -0.00641 0.01599 -0.00065 -0.02309 0.01550 17 2S -0.02840 -0.03272 -0.01943 0.00017 -0.02684 18 2PX -0.01365 -0.00499 -0.01537 -0.01175 0.02306 19 2PY -0.01770 -0.01024 -0.01232 0.01187 -0.06926 20 2PZ 0.01274 0.00206 0.03884 -0.05355 0.00640 21 3S 0.38488 -0.15811 0.29513 0.44723 -0.32352 22 3PX 0.06013 0.09078 -0.03804 0.09006 0.08710 23 3PY -0.01816 -0.14276 -0.17545 0.07416 -0.17810 24 3PZ -0.14039 0.04942 0.02437 -0.12330 -0.00185 25 4XX 0.00187 0.00005 -0.00102 0.00027 -0.00108 26 4YY -0.00867 0.00021 -0.01320 0.00016 -0.01109 27 4ZZ 0.00246 -0.00064 0.01356 -0.01042 0.00813 28 4XY 0.00205 -0.00073 0.00518 0.00317 0.00122 29 4XZ -0.00471 -0.00323 0.00684 -0.00002 -0.01214 30 4YZ 0.00383 0.00242 0.00820 -0.00027 0.01545 31 3 C 1S 0.00351 -0.03845 0.01787 0.00580 0.04405 32 2S -0.01427 0.05148 -0.02644 -0.04390 -0.07768 33 2PX 0.04614 0.01164 -0.03110 -0.06681 0.01998 34 2PY -0.03169 -0.07000 -0.02916 -0.02231 -0.00068 35 2PZ -0.00114 0.07477 0.03432 -0.05910 -0.07825 36 3S -0.14739 0.58724 -0.35357 -0.04609 -0.60072 37 3PX 0.05508 0.08335 0.08331 0.03176 -0.05534 38 3PY -0.09664 -0.34854 -0.21885 -0.07465 0.05656 39 3PZ 0.10187 0.29529 0.23287 -0.20145 -0.23820 40 4XX 0.00111 0.00189 -0.00269 0.00159 -0.00293 41 4YY -0.00159 -0.00445 0.00085 -0.00515 0.00022 42 4ZZ -0.00397 -0.00317 0.00242 -0.00477 0.00942 43 4XY -0.00125 0.00108 0.00164 0.00285 -0.00450 44 4XZ 0.00109 0.00209 0.00081 0.00575 -0.00065 45 4YZ -0.00505 -0.00321 0.00122 -0.00296 0.00053 46 4 C 1S 0.02531 0.06494 0.02462 0.00657 -0.05041 47 2S -0.03122 -0.08502 -0.03412 -0.00609 0.06057 48 2PX -0.01522 -0.01813 -0.07272 -0.05240 0.04190 49 2PY 0.04060 -0.00216 0.13716 -0.01049 0.01836 50 2PZ -0.02883 0.01491 -0.04785 -0.04333 -0.04766 51 3S -0.37463 -1.06081 -0.42594 -0.15184 0.78431 52 3PX -0.15362 -0.04537 -0.26801 0.00883 0.18650 53 3PY 0.25093 0.04042 0.51006 -0.00748 0.03774 54 3PZ 0.11274 -0.14387 -0.20880 -0.09071 -0.20185 55 4XX -0.01020 0.00982 0.00025 0.00489 0.00390 56 4YY 0.00424 -0.00168 0.00077 -0.00433 -0.00109 57 4ZZ 0.01271 0.00223 0.00337 0.00165 -0.01242 58 4XY 0.00338 -0.00041 0.00233 -0.00725 -0.00682 59 4XZ -0.00398 -0.00282 -0.00067 -0.00413 0.00651 60 4YZ -0.00563 0.00801 -0.00698 -0.00053 0.00348 61 5 C 1S -0.07669 0.02246 0.00081 0.02305 0.02516 62 2S 0.09330 -0.04511 0.00495 -0.02820 -0.02862 63 2PX -0.07094 -0.04800 -0.07080 -0.08147 0.17530 64 2PY 0.01411 -0.12136 0.05053 -0.11159 -0.06484 65 2PZ -0.23502 0.09780 0.03325 -0.05160 0.01756 66 3S 1.17011 -0.24045 -0.04380 -0.28563 -0.46092 67 3PX -0.30542 -0.09390 -0.04760 -0.08599 0.51232 68 3PY -0.07098 -0.33180 0.05341 -0.31306 -0.12667 69 3PZ -0.72122 0.49444 0.15756 -0.13321 0.04669 70 4XX 0.00488 -0.00309 0.00472 0.00319 -0.00646 71 4YY -0.01657 0.00611 -0.00204 -0.00519 0.00343 72 4ZZ -0.00288 -0.00227 -0.00235 0.00284 0.00559 73 4XY 0.00585 -0.01448 -0.00634 -0.00223 0.00707 74 4XZ -0.00007 0.01466 0.00106 0.00893 -0.01256 75 4YZ 0.01120 -0.00807 0.00803 -0.00201 -0.01233 76 6 C 1S 0.05934 -0.05340 -0.01954 0.01738 0.00550 77 2S -0.07981 0.06551 0.00581 -0.03360 -0.00450 78 2PX -0.01824 -0.05383 -0.03697 -0.11332 0.16831 79 2PY 0.15384 -0.15196 0.07066 -0.15758 -0.12593 80 2PZ -0.00612 -0.08265 -0.02027 -0.08440 -0.09325 81 3S -0.79188 0.90546 0.48955 -0.15442 -0.09735 82 3PX 0.10311 -0.12408 -0.08544 -0.31912 0.61078 83 3PY 0.53170 -0.37464 0.20898 -0.49890 -0.46045 84 3PZ 0.11274 -0.37954 0.00417 -0.11528 -0.28400 85 4XX -0.01232 -0.00511 -0.00675 0.01131 0.01274 86 4YY 0.02494 -0.00973 0.00126 -0.00757 -0.01513 87 4ZZ -0.00275 0.00603 0.00306 -0.00352 0.00255 88 4XY -0.00114 0.01583 0.00459 0.00818 -0.01665 89 4XZ -0.00282 -0.00571 -0.00471 0.00715 -0.00533 90 4YZ -0.00443 0.00411 -0.00671 0.00960 0.00966 91 7 C 1S 0.02380 0.05421 -0.02155 -0.02423 -0.06730 92 2S -0.01911 -0.07165 0.05474 0.03703 0.08016 93 2PX 0.03452 0.02171 -0.10138 -0.06102 0.09396 94 2PY 0.02208 -0.11510 0.04254 0.03693 -0.05316 95 2PZ 0.05181 0.14140 0.05641 -0.14190 -0.03982 96 3S -0.50093 -0.84220 0.15395 0.34711 1.12440 97 3PX 0.33229 0.12443 -0.43423 -0.19364 0.37702 98 3PY 0.02331 -0.31683 0.07215 0.17881 -0.18822 99 3PZ -0.14280 0.56749 0.05547 -0.42286 -0.15118 100 4XX 0.00905 -0.00038 0.00581 -0.00792 -0.01227 101 4YY -0.00167 0.01542 -0.00547 -0.00341 0.00612 102 4ZZ -0.00373 -0.00464 -0.00333 0.00903 -0.00393 103 4XY 0.01851 -0.00689 -0.00685 -0.01032 0.00271 104 4XZ -0.00125 0.00035 -0.00234 -0.00153 0.00746 105 4YZ -0.00624 0.00236 -0.00875 0.00171 -0.01084 106 8 C 1S -0.03633 -0.06293 0.02466 0.05772 0.01531 107 2S 0.02686 0.05886 -0.02840 -0.08504 -0.01156 108 2PX -0.02780 -0.05404 -0.06222 -0.09092 0.02557 109 2PY 0.08994 -0.04046 -0.00893 0.00616 -0.05657 110 2PZ 0.11314 -0.02152 -0.08494 0.01770 -0.02518 111 3S 0.64890 1.13631 -0.31483 -0.81844 -0.24300 112 3PX -0.08396 -0.10418 -0.13303 -0.17393 -0.08748 113 3PY 0.19692 -0.00165 -0.00978 0.01504 -0.27904 114 3PZ 0.47187 -0.16683 -0.24418 0.05036 -0.06568 115 4XX -0.00692 -0.00003 -0.00743 0.00605 0.00832 116 4YY -0.00377 -0.01560 0.01181 0.00616 -0.00658 117 4ZZ 0.00200 0.00176 0.00238 -0.00405 0.00252 118 4XY -0.00410 -0.00724 0.00117 0.00950 0.00738 119 4XZ 0.00165 0.00438 0.00792 -0.00460 0.00682 120 4YZ 0.00014 0.00081 0.00341 -0.00373 -0.00088 121 9 C 1S 0.01946 0.01233 -0.03485 -0.03101 0.03775 122 2S -0.02434 -0.02719 0.04505 0.01609 -0.02568 123 2PX 0.00465 0.02573 -0.04804 -0.11619 0.04842 124 2PY -0.00532 -0.04381 -0.00514 0.01978 0.02617 125 2PZ -0.03702 0.11477 -0.05623 0.02704 0.04716 126 3S -0.25799 -0.14333 0.47211 0.56386 -0.68675 127 3PX 0.12988 0.15934 -0.16086 -0.30954 -0.04496 128 3PY -0.20058 -0.17055 -0.10023 0.17834 0.08118 129 3PZ -0.11976 0.45244 -0.14590 0.04670 0.07654 130 4XX 0.00175 -0.00916 -0.00131 0.00380 0.00510 131 4YY 0.00519 0.01003 -0.00698 -0.01280 0.00449 132 4ZZ -0.00255 -0.00101 -0.00101 -0.00152 0.00122 133 4XY 0.00226 -0.00193 0.00416 -0.00164 0.00107 134 4XZ -0.00440 -0.00461 0.00418 0.00428 0.00785 135 4YZ 0.00455 -0.00496 0.00010 0.00608 0.00398 136 10 H 1S 0.01754 0.01001 -0.02530 0.00136 0.02049 137 2S -0.06030 0.30333 -0.38609 0.02585 0.40087 138 11 H 1S 0.01007 -0.00512 -0.01413 -0.03318 -0.00477 139 2S 0.21720 -0.14700 -0.27036 -0.54976 0.23321 140 12 H 1S -0.01994 -0.00833 -0.03969 0.00645 0.01262 141 2S -0.55317 -0.48039 0.00070 0.05517 0.23337 142 13 H 1S 0.02281 0.01082 0.00931 -0.01613 0.00528 143 2S 0.32825 -0.48001 -0.15366 0.34975 -0.01998 144 14 H 1S -0.02459 0.09353 -0.01328 -0.01340 0.04607 145 2S 0.11469 1.08615 -0.25347 -0.53421 -0.08677 146 15 C 1S 0.00068 -0.02933 0.00908 -0.10560 0.00687 147 2S -0.03937 0.05206 -0.00901 0.13935 -0.02131 148 2PX 0.00783 0.03855 0.00001 0.07749 -0.00463 149 2PY 0.05978 -0.04367 0.02418 -0.14383 -0.00624 150 2PZ -0.01855 0.01187 -0.02140 0.05672 0.12073 151 3S 0.26675 0.41468 -0.22860 1.53097 -0.06235 152 3PX 0.15052 -0.02350 0.04867 0.07822 -0.05671 153 3PY 0.51154 -0.01016 0.02472 -0.27969 -0.00809 154 3PZ -0.01944 0.07824 0.02916 0.14124 0.20937 155 4XX 0.01340 -0.00320 0.00239 -0.01071 -0.01554 156 4YY -0.00910 -0.00219 -0.00662 -0.01873 0.01862 157 4ZZ 0.00654 0.00175 0.00060 0.00860 -0.00341 158 4XY -0.00607 0.00528 -0.00370 0.00147 0.00421 159 4XZ 0.00148 -0.00592 0.00643 -0.02080 -0.00749 160 4YZ -0.00348 0.00107 -0.00168 0.00756 0.00212 161 16 O 1S 0.01474 0.01399 -0.00217 0.08787 -0.00775 162 2S -0.02415 -0.02439 0.00698 -0.16137 0.01232 163 2PX 0.00310 0.01241 -0.02281 0.17650 0.03534 164 2PY 0.05384 -0.04987 0.03315 -0.01525 -0.08331 165 2PZ -0.03740 0.01201 -0.02606 0.04357 -0.00819 166 3S -0.17188 -0.15154 0.02904 -1.05185 0.09069 167 3PX 0.03070 0.02359 -0.04308 0.34083 0.03695 168 3PY 0.03353 -0.04918 0.04185 0.00938 -0.13224 169 3PZ -0.03839 0.01043 -0.03218 0.06909 -0.01890 170 4XX -0.00221 0.00319 0.00067 0.01284 0.00130 171 4YY 0.00980 0.00373 0.00233 0.02050 -0.00907 172 4ZZ 0.00509 0.00437 -0.00098 0.02924 0.00089 173 4XY 0.00779 -0.00740 0.00193 -0.01293 -0.00171 174 4XZ -0.00608 0.00047 -0.00124 -0.00708 0.00385 175 4YZ 0.00065 -0.00126 -0.00008 -0.00317 0.00339 176 17 C 1S -0.03335 -0.01485 -0.00915 -0.06815 0.03951 177 2S 0.06427 0.01142 0.02092 0.06517 -0.07745 178 2PX -0.00160 0.01294 0.00133 0.03375 -0.02779 179 2PY 0.07345 -0.04922 0.01002 0.08334 -0.00740 180 2PZ -0.03927 -0.02760 -0.01335 -0.00302 0.11650 181 3S 0.33249 0.24150 0.11573 1.17918 -0.54009 182 3PX -0.25478 0.16281 0.08179 0.19708 0.01096 183 3PY 0.28797 -0.11908 -0.07219 0.05850 0.02248 184 3PZ -0.13171 0.07644 0.03658 0.19838 0.16499 185 4XX -0.00509 0.00360 0.00063 0.00448 -0.00058 186 4YY -0.01004 0.00225 -0.00135 -0.00911 0.00449 187 4ZZ 0.00193 -0.00566 0.00106 -0.00075 0.00066 188 4XY -0.00730 0.01205 -0.00640 0.00259 0.00637 189 4XZ 0.00204 -0.00898 -0.00100 -0.01300 0.00634 190 4YZ 0.00062 0.00912 -0.00014 0.01495 -0.00498 191 18 O 1S -0.00893 0.02144 0.00763 0.04048 -0.00830 192 2S -0.00074 -0.04808 -0.01257 -0.07198 0.01883 193 2PX -0.01365 0.04402 0.01231 0.01846 0.01544 194 2PY -0.03973 -0.00488 0.01345 -0.12670 0.00920 195 2PZ -0.03554 0.06923 0.01235 0.05705 -0.06150 196 3S 0.21848 -0.25744 -0.12205 -0.55145 0.08965 197 3PX -0.02490 0.05459 0.01344 0.07171 0.00464 198 3PY 0.00042 -0.06750 -0.03012 -0.26820 0.02168 199 3PZ -0.07692 0.11007 0.04471 0.15611 -0.08647 200 4XX -0.00875 0.00473 0.00160 0.01132 0.00106 201 4YY -0.00541 -0.00084 0.00051 0.00540 0.00101 202 4ZZ -0.00385 0.00192 0.00064 0.00772 -0.00425 203 4XY -0.00240 0.00479 0.00242 0.00629 -0.00084 204 4XZ -0.00083 -0.00070 -0.00263 -0.00819 0.00262 205 4YZ -0.00542 0.00422 0.00291 0.00984 -0.00023 206 19 O 1S 0.03432 0.01029 -0.00257 0.02511 -0.00810 207 2S -0.05844 -0.03087 0.00999 -0.04791 0.02153 208 2PX 0.05737 0.01499 -0.01739 -0.08821 0.01429 209 2PY 0.05149 0.01427 0.00562 0.12078 -0.06940 210 2PZ -0.00142 -0.02929 0.00896 -0.06762 -0.09916 211 3S -0.52759 -0.10068 0.03392 -0.28470 0.06357 212 3PX 0.01601 -0.00589 -0.00539 -0.07438 0.00300 213 3PY 0.22861 0.06610 -0.01981 0.21093 -0.05667 214 3PZ -0.01528 -0.03801 0.00373 -0.08542 -0.09083 215 4XX 0.01558 0.00086 -0.00087 0.00431 -0.00213 216 4YY -0.00955 -0.00640 0.00596 0.00015 -0.00318 217 4ZZ 0.01222 -0.00164 0.00144 0.01182 0.00134 218 4XY -0.00113 -0.00409 0.00156 -0.00294 -0.00176 219 4XZ -0.00056 -0.00157 0.00177 -0.00637 -0.00494 220 4YZ 0.00479 0.00158 0.00084 0.00133 -0.00157 221 20 H 1S -0.00655 0.00895 0.01833 -0.03402 0.01006 222 2S 0.39369 -0.66366 -0.13092 -0.18091 -0.33783 223 21 H 1S -0.02868 -0.02086 0.03220 -0.03893 -0.01333 224 2S -1.04942 0.17916 0.29323 -0.27372 -0.07513 225 22 H 1S 0.04482 -0.03556 0.04052 0.00503 -0.03315 226 2S 0.43693 0.34901 0.85246 0.11453 -0.25578 227 23 H 1S -0.00883 -0.03048 0.01183 0.00390 0.05807 228 2S -0.05465 -0.69313 -0.09702 0.28615 0.66059 229 24 H 1S 0.03775 -0.00825 0.01470 -0.01043 0.07745 230 2S 0.75612 0.27974 -0.00458 0.02342 0.83770 231 25 H 1S -0.00115 -0.02611 0.08016 0.00258 0.01905 232 2S -0.25903 -0.25561 1.24711 -0.21709 -0.08283 233 26 H 1S -0.03128 0.01692 -0.08674 -0.00287 -0.08252 234 2S -0.41189 -0.33426 -1.06095 -0.04027 -0.80235 66 67 68 69 70 V V V V V Eigenvalues -- 0.16659 0.18404 0.19584 0.20280 0.21106 1 1 C 1S 0.01975 -0.02249 -0.00049 -0.01546 -0.01222 2 2S -0.02480 0.03009 0.01144 0.01967 0.00017 3 2PX -0.08711 0.07595 0.24430 0.04218 0.00343 4 2PY 0.03613 0.02981 0.00796 0.07296 -0.01663 5 2PZ 0.02554 0.04446 -0.05717 0.12697 -0.03858 6 3S -0.28417 0.36196 -0.08230 0.27724 0.25080 7 3PX -0.31087 0.25290 0.80829 0.15443 -0.00241 8 3PY 0.10786 0.03461 0.05815 0.18354 -0.08989 9 3PZ 0.13245 0.11864 -0.14254 0.36263 -0.30012 10 4XX -0.00093 0.00016 0.00225 0.00058 0.00189 11 4YY 0.00192 -0.00523 -0.00397 0.00550 0.00503 12 4ZZ 0.00193 0.00159 0.00230 -0.00877 -0.00960 13 4XY 0.00207 -0.00442 0.00040 -0.00066 -0.00433 14 4XZ -0.00676 -0.00258 0.00774 0.00189 0.00181 15 4YZ 0.00414 0.00106 -0.00140 0.00462 -0.01136 16 2 C 1S -0.02097 -0.02075 0.02088 -0.04469 0.05269 17 2S 0.01105 0.01285 -0.05013 0.07827 -0.04435 18 2PX 0.03298 0.02068 -0.13066 -0.02577 0.03975 19 2PY 0.04762 -0.01243 -0.03570 -0.07280 -0.06479 20 2PZ 0.01847 -0.07492 0.00077 0.02288 0.14650 21 3S 0.56071 0.22391 -0.16013 0.46406 -1.08345 22 3PX 0.00145 -0.03534 -0.34181 -0.09968 0.14046 23 3PY 0.04403 0.00111 -0.10796 -0.06648 -0.21010 24 3PZ 0.03883 -0.23878 -0.01746 0.18400 0.51157 25 4XX 0.00150 -0.00427 -0.00303 0.00310 -0.00130 26 4YY 0.00014 0.00130 0.00960 -0.00977 -0.00092 27 4ZZ -0.00240 -0.00786 -0.00430 -0.00264 0.01268 28 4XY 0.00387 0.01422 0.00846 0.00241 0.00173 29 4XZ -0.00903 -0.00379 0.00261 0.00245 0.00210 30 4YZ -0.01226 0.00492 0.00554 0.00088 -0.00343 31 3 C 1S 0.00198 0.00978 -0.03080 0.08100 0.02113 32 2S -0.00610 -0.04366 0.01778 -0.13548 -0.02807 33 2PX -0.02068 -0.09800 0.02162 0.02670 -0.04952 34 2PY 0.02387 -0.03828 -0.05858 0.08842 0.06598 35 2PZ 0.01499 -0.01136 -0.05919 -0.12600 -0.03762 36 3S -0.12148 0.09471 0.43119 -1.23780 -0.59746 37 3PX -0.10720 -0.15498 0.14535 0.05860 -0.16367 38 3PY -0.16367 -0.08371 -0.15003 0.12170 0.27543 39 3PZ 0.03862 -0.11282 -0.16775 -0.65741 -0.09588 40 4XX 0.00620 0.00469 0.00447 0.00417 -0.00092 41 4YY -0.00178 -0.00617 -0.01261 0.01746 0.00595 42 4ZZ -0.00748 0.00187 -0.00525 -0.01075 -0.00936 43 4XY -0.00505 -0.00838 -0.00825 -0.00377 -0.00425 44 4XZ -0.00128 -0.00004 0.00776 0.00325 -0.00321 45 4YZ 0.00056 -0.00649 -0.00156 -0.00284 0.00893 46 4 C 1S 0.07643 -0.02117 0.02754 0.00651 -0.02353 47 2S -0.09201 0.04567 -0.04887 0.03583 0.02475 48 2PX 0.13465 0.25882 0.10965 0.00148 0.03735 49 2PY 0.15270 -0.04720 0.02056 -0.10048 0.02703 50 2PZ 0.08150 -0.02789 -0.07083 0.25056 0.07804 51 3S -1.25613 0.26479 -0.43036 -0.40614 0.41467 52 3PX 0.56069 0.89704 0.37136 0.04568 0.12774 53 3PY 0.50057 -0.31883 0.17953 -0.59732 0.15133 54 3PZ 0.19788 0.02337 -0.31588 1.05457 0.52302 55 4XX 0.02199 -0.00414 0.00578 0.01090 -0.00476 56 4YY -0.00906 0.00080 -0.00142 -0.00700 -0.00628 57 4ZZ 0.00065 0.00157 -0.00151 -0.00072 0.00679 58 4XY -0.00409 -0.00639 -0.00121 0.00986 -0.00741 59 4XZ 0.01076 0.00738 0.00307 -0.00083 0.00940 60 4YZ -0.00122 -0.00239 0.01638 -0.00982 -0.00287 61 5 C 1S -0.01368 0.04587 -0.01219 -0.03032 0.05172 62 2S 0.03342 -0.06449 0.01887 0.03250 -0.08270 63 2PX 0.07764 -0.01859 0.11229 -0.09197 0.02989 64 2PY -0.03573 0.16399 -0.09100 -0.02100 -0.08392 65 2PZ 0.06820 -0.09404 -0.07663 0.06696 -0.00247 66 3S 0.03630 -0.63676 0.16646 0.68764 -0.58496 67 3PX 0.32564 -0.01853 0.49075 -0.61262 0.12522 68 3PY -0.25577 0.70882 -0.36050 0.04843 -0.25852 69 3PZ 0.14563 -0.34277 -0.30066 0.02101 -0.00686 70 4XX -0.01353 0.00250 -0.01106 -0.00299 0.00562 71 4YY 0.00333 -0.00361 0.00393 -0.00223 -0.00188 72 4ZZ 0.00782 0.01155 0.00260 0.00760 0.00524 73 4XY -0.00944 0.01944 0.00629 -0.01036 -0.00796 74 4XZ -0.00272 -0.01404 -0.00968 0.00848 0.00637 75 4YZ -0.01023 -0.00458 -0.00598 -0.00155 -0.00545 76 6 C 1S -0.01026 -0.01759 0.03163 0.00947 -0.04649 77 2S 0.00770 0.03045 -0.03747 -0.00017 0.08538 78 2PX 0.04316 0.09175 0.04584 -0.09578 -0.06900 79 2PY -0.07546 0.10345 -0.07771 -0.01996 -0.04100 80 2PZ 0.03374 -0.15725 0.09276 0.04706 0.03752 81 3S 0.17680 0.10784 -0.53863 -0.26833 0.52378 82 3PX -0.00373 0.34543 0.24785 -0.42010 -0.23987 83 3PY -0.38108 0.44019 -0.27074 0.07288 -0.40687 84 3PZ 0.13564 -0.62255 0.33408 0.07612 0.01215 85 4XX 0.00051 -0.00911 0.01364 -0.00620 -0.00616 86 4YY 0.00143 0.00644 -0.00353 0.00763 -0.00429 87 4ZZ -0.00022 -0.00588 -0.00242 0.00088 0.00298 88 4XY -0.00978 -0.01397 -0.01798 0.01240 0.00466 89 4XZ -0.00064 -0.00358 -0.00290 0.00511 -0.01110 90 4YZ 0.00487 0.00222 0.00719 0.00228 0.01221 91 7 C 1S 0.01935 0.04776 -0.01763 0.04386 -0.02461 92 2S -0.00579 -0.07066 0.04070 -0.05545 0.01583 93 2PX 0.13575 0.13739 0.18541 0.00346 -0.03788 94 2PY 0.18361 -0.04671 0.04057 0.11666 0.04727 95 2PZ -0.01069 0.01949 -0.05085 0.03459 0.15498 96 3S -0.37701 -0.78261 0.21925 -0.65216 0.58121 97 3PX 0.36265 0.58019 0.49748 -0.03334 -0.09400 98 3PY 0.67872 -0.28426 0.30227 0.39265 0.16102 99 3PZ -0.08689 0.03636 -0.17626 0.13783 0.60831 100 4XX 0.00321 0.00480 -0.00453 0.00062 0.01692 101 4YY -0.00179 -0.00616 0.00833 0.00108 0.00277 102 4ZZ 0.00275 0.00796 -0.00493 0.00582 -0.02138 103 4XY 0.00300 0.01582 0.00454 -0.00142 -0.00735 104 4XZ 0.00783 -0.00124 -0.00672 -0.00201 0.00035 105 4YZ 0.00668 -0.00331 -0.00477 -0.00104 -0.00318 106 8 C 1S 0.01321 -0.00044 -0.06938 -0.05331 0.00867 107 2S -0.02610 0.01637 0.05354 0.04688 -0.00238 108 2PX 0.11017 0.08463 -0.03820 0.01006 -0.17449 109 2PY 0.13609 0.11163 -0.07747 -0.03145 0.13277 110 2PZ 0.00855 0.02858 0.01916 -0.06079 0.16954 111 3S -0.06038 -0.14547 1.38934 0.90684 -0.15051 112 3PX 0.46304 0.13414 0.05424 0.29287 -0.63086 113 3PY 0.57844 0.64489 -0.33488 0.00330 0.45298 114 3PZ 0.09593 0.05669 0.33146 -0.13134 0.51044 115 4XX -0.00223 -0.00583 0.00013 -0.00506 -0.00041 116 4YY 0.00179 -0.00612 -0.01868 -0.00953 0.00399 117 4ZZ 0.00632 0.01137 0.00646 0.00176 -0.00249 118 4XY -0.01764 -0.00682 -0.00154 -0.01018 -0.01192 119 4XZ -0.00704 -0.00064 -0.00150 -0.01163 0.00701 120 4YZ -0.01333 -0.00789 -0.00066 0.00307 0.00880 121 9 C 1S -0.10366 -0.04812 0.03285 0.00582 -0.01570 122 2S 0.11973 0.01656 -0.02447 -0.01773 0.00605 123 2PX 0.09660 -0.00303 0.12845 0.04823 0.18378 124 2PY 0.03440 0.00031 -0.08239 -0.01441 -0.00506 125 2PZ 0.06049 0.00535 0.06202 0.11004 -0.19193 126 3S 1.64472 1.13330 -0.68310 0.06773 0.37255 127 3PX 0.36410 0.10096 0.37262 0.44422 0.73939 128 3PY 0.07618 0.28929 -0.50596 0.07848 0.09550 129 3PZ 0.32884 0.12912 0.40874 0.34588 -0.82501 130 4XX -0.01845 0.00046 -0.00435 -0.00975 0.00194 131 4YY 0.00083 0.00311 0.01434 0.00234 -0.00337 132 4ZZ -0.00164 -0.01258 -0.00573 0.01324 -0.00041 133 4XY 0.00613 0.00178 -0.00717 -0.00281 0.00368 134 4XZ -0.01779 -0.01287 -0.00371 -0.00663 -0.00285 135 4YZ 0.00938 0.00627 0.00038 -0.00765 0.00701 136 10 H 1S 0.04455 0.01766 0.01536 0.03476 -0.01140 137 2S -0.26620 -0.12465 0.12854 0.34871 -0.83804 138 11 H 1S 0.00371 0.04008 -0.00319 0.00795 0.06019 139 2S -0.40187 -0.17629 0.25354 0.07489 1.11794 140 12 H 1S 0.05049 -0.00818 0.00580 0.02996 -0.03467 141 2S 0.38825 0.03436 -0.39109 -0.01910 -1.01439 142 13 H 1S 0.02739 0.04224 0.03550 -0.01137 0.03877 143 2S 0.21033 0.19756 -0.16324 -0.53851 0.80271 144 14 H 1S -0.04287 -0.01311 0.02230 0.02898 0.01830 145 2S -0.56252 0.62686 -0.23295 -0.06122 -0.12210 146 15 C 1S 0.00953 0.02637 -0.02197 -0.02508 -0.00582 147 2S -0.01517 -0.06834 0.02205 0.05027 0.01067 148 2PX 0.05184 0.05747 0.09824 -0.00002 0.02966 149 2PY -0.01446 0.08525 -0.04604 -0.03658 -0.01575 150 2PZ -0.03093 0.07882 0.13387 -0.07546 -0.01235 151 3S -0.11401 -0.32447 0.23809 0.41515 0.11547 152 3PX -0.06430 0.15445 0.15484 -0.05020 -0.09780 153 3PY -0.13576 0.17907 -0.16051 -0.07598 -0.18545 154 3PZ -0.07283 0.24403 0.08715 -0.14541 -0.04663 155 4XX -0.00320 0.01379 -0.00953 0.00455 0.00616 156 4YY 0.00593 -0.00801 -0.00058 -0.00825 -0.00380 157 4ZZ -0.00454 -0.00063 -0.00257 0.00406 -0.00546 158 4XY -0.00120 -0.00035 0.00176 -0.00228 0.00224 159 4XZ -0.00370 0.01185 -0.01207 -0.00169 -0.00063 160 4YZ -0.00043 0.00484 0.00714 -0.00233 0.00100 161 16 O 1S -0.02573 0.03365 0.03095 -0.00231 0.00400 162 2S 0.04962 -0.06784 -0.06129 0.01101 -0.00520 163 2PX -0.06724 0.02815 0.06493 -0.03123 -0.00532 164 2PY -0.08533 0.14622 -0.04913 -0.03048 -0.00192 165 2PZ 0.03507 -0.06092 0.02567 0.04226 -0.00436 166 3S 0.32440 -0.38273 -0.36382 0.02584 -0.03265 167 3PX -0.11141 0.06975 0.11783 -0.02182 0.00391 168 3PY -0.13071 0.21987 -0.05818 -0.04596 0.03826 169 3PZ 0.02688 -0.10498 0.01994 0.06377 -0.02108 170 4XX -0.00396 -0.00240 0.00377 0.00028 0.00010 171 4YY -0.00873 0.01665 0.00663 0.00258 -0.00112 172 4ZZ -0.00395 0.00620 0.01022 -0.00040 0.00487 173 4XY -0.00404 0.00444 -0.00877 -0.00505 -0.00305 174 4XZ 0.00705 -0.00671 0.00192 0.00062 -0.00048 175 4YZ -0.00228 0.00182 -0.00291 -0.00154 -0.00263 176 17 C 1S 0.05438 -0.04757 0.01231 -0.00226 -0.01869 177 2S -0.09984 0.05130 -0.04492 0.00193 0.02436 178 2PX 0.06741 0.05034 0.08039 0.04028 -0.05015 179 2PY -0.07862 0.18636 0.05578 -0.08083 -0.01637 180 2PZ 0.04721 0.01819 0.07878 -0.08275 0.03040 181 3S -0.60725 0.76639 -0.08261 0.22105 0.43061 182 3PX 0.17390 0.04962 0.19273 -0.01429 0.08265 183 3PY -0.22862 0.15158 0.11120 -0.19393 -0.18904 184 3PZ 0.20968 -0.02930 0.27502 -0.08237 0.19112 185 4XX 0.00999 -0.00640 0.00450 0.00881 -0.00168 186 4YY 0.00923 -0.01554 -0.00183 0.00377 0.00579 187 4ZZ -0.00478 0.01091 0.00245 -0.00865 0.00053 188 4XY 0.01237 -0.01913 0.00487 0.00964 0.00620 189 4XZ 0.00566 -0.00942 0.00198 -0.00454 -0.00744 190 4YZ -0.00356 -0.00272 0.00197 0.00217 0.00604 191 18 O 1S 0.00414 0.00906 0.00883 0.00570 0.02273 192 2S -0.01456 -0.01024 -0.02000 -0.00211 -0.03118 193 2PX 0.04212 -0.02759 -0.00143 -0.00819 0.05392 194 2PY 0.06339 -0.07809 -0.04987 -0.00469 -0.02201 195 2PZ -0.01128 -0.02396 -0.03599 0.04673 0.02787 196 3S -0.08003 -0.15539 -0.12772 -0.11675 -0.37624 197 3PX 0.01869 -0.02559 -0.01172 0.01744 0.10021 198 3PY 0.02429 -0.12812 -0.10760 0.01216 -0.10204 199 3PZ 0.01173 0.02047 -0.01811 0.08384 0.09949 200 4XX 0.00166 0.00344 0.00172 0.00384 0.01119 201 4YY -0.00324 0.00480 0.00126 0.00018 0.00475 202 4ZZ -0.00588 0.00130 -0.00274 0.00747 0.00538 203 4XY 0.00818 -0.00238 0.00425 0.00089 0.00234 204 4XZ -0.00031 -0.00977 -0.00293 -0.00085 -0.00251 205 4YZ 0.00045 0.00275 0.00204 -0.00164 0.00732 206 19 O 1S -0.01142 0.00663 -0.00227 0.00863 -0.00706 207 2S 0.01449 -0.02468 0.00762 -0.01928 0.01102 208 2PX -0.00159 0.00250 -0.06042 0.00109 -0.02384 209 2PY -0.03537 0.01142 0.01524 0.04955 -0.00089 210 2PZ -0.00022 -0.03899 -0.02737 0.05398 -0.00792 211 3S 0.17308 -0.04878 0.04107 -0.08816 0.12515 212 3PX -0.00534 -0.02514 -0.07461 0.01715 -0.00545 213 3PY -0.08315 0.01664 -0.00986 0.06732 -0.04367 214 3PZ 0.03015 -0.08142 -0.05311 0.05090 0.01304 215 4XX -0.00567 0.00394 0.00111 0.00212 -0.00322 216 4YY 0.00016 -0.00462 0.00258 0.00079 0.00396 217 4ZZ -0.00650 -0.00472 0.00175 0.00162 -0.00444 218 4XY -0.00219 -0.00073 -0.00146 -0.00013 -0.00241 219 4XZ -0.00341 0.00560 -0.00091 0.00091 -0.00167 220 4YZ 0.00039 -0.00246 -0.00657 0.00243 -0.00125 221 20 H 1S -0.00075 -0.06170 0.01691 -0.00637 0.01479 222 2S 0.05369 -0.85509 0.58581 0.20837 -0.13838 223 21 H 1S -0.01191 0.01344 -0.04541 0.00231 0.00204 224 2S -0.13299 0.51297 -0.73751 -0.02829 0.05497 225 22 H 1S 0.01611 0.00734 -0.04409 -0.05444 -0.00417 226 2S 0.75362 -0.50833 0.28135 -0.99686 -0.26830 227 23 H 1S -0.02369 0.02340 -0.02153 0.02351 -0.03953 228 2S -0.05623 0.14605 -0.03495 1.28031 0.32472 229 24 H 1S 0.02084 -0.03864 -0.04212 -0.00426 0.01017 230 2S 0.32049 -0.41138 -0.77878 -0.28227 -0.06153 231 25 H 1S -0.02700 0.01358 0.04901 0.01218 0.02940 232 2S -0.25989 0.17614 0.87535 0.10440 -0.07354 233 26 H 1S -0.00009 0.00335 0.01545 -0.05268 -0.02058 234 2S 0.01785 -0.26151 0.20652 -0.58294 0.10942 71 72 73 74 75 V V V V V Eigenvalues -- 0.21601 0.22724 0.24535 0.24966 0.27837 1 1 C 1S 0.03830 0.01466 0.05178 -0.02825 -0.04566 2 2S -0.00174 -0.01102 -0.02698 0.01763 -0.01430 3 2PX -0.00732 0.02634 -0.02482 -0.04025 0.03837 4 2PY -0.07288 0.04164 0.16159 -0.01469 -0.00466 5 2PZ 0.01804 0.00972 0.03921 -0.01695 -0.02517 6 3S -0.91371 -0.25453 -1.10546 0.58464 1.32571 7 3PX -0.12392 0.07282 -0.20245 -0.08359 0.37830 8 3PY 0.05042 0.26769 1.11082 -0.40026 -1.00586 9 3PZ 0.48666 0.11546 0.51639 -0.23672 -0.42950 10 4XX 0.00769 -0.00435 -0.00684 0.00001 0.00423 11 4YY -0.00586 0.00901 0.02169 -0.00502 -0.01958 12 4ZZ 0.00647 0.00018 -0.00387 0.00063 0.00237 13 4XY 0.00374 0.00257 -0.01003 0.00357 0.00390 14 4XZ -0.00288 0.00385 -0.00271 0.00322 0.00577 15 4YZ 0.01385 0.00420 0.01708 -0.00669 -0.01230 16 2 C 1S -0.08331 -0.02232 -0.08537 0.03664 0.03510 17 2S 0.07179 0.04207 0.12354 -0.08698 -0.07714 18 2PX 0.01729 -0.08077 -0.05258 0.04819 -0.03755 19 2PY 0.05434 0.03672 0.16170 -0.04528 -0.13087 20 2PZ -0.16113 0.00167 0.10519 -0.00285 -0.21080 21 3S 1.81926 0.33229 1.69295 -0.74207 -0.88077 22 3PX -0.00613 -0.16405 -0.12663 0.16096 0.16697 23 3PY 0.39983 0.15308 0.77513 -0.25892 -0.73476 24 3PZ -0.50046 0.05014 0.55558 -0.20659 -1.37841 25 4XX 0.00778 -0.00244 -0.00275 0.00530 0.00058 26 4YY 0.00293 -0.00546 -0.01175 -0.00830 -0.00766 27 4ZZ -0.02099 0.00670 0.01089 -0.00649 -0.00338 28 4XY -0.00570 -0.00321 0.00194 -0.00811 0.00128 29 4XZ -0.00166 -0.00443 0.00500 0.00227 0.00705 30 4YZ 0.01683 -0.00338 -0.00157 -0.00505 -0.00619 31 3 C 1S -0.02665 0.01753 0.05650 -0.01383 -0.00786 32 2S -0.00803 -0.03062 -0.08555 -0.02057 0.03674 33 2PX 0.07636 0.02467 -0.00997 0.02318 0.04694 34 2PY -0.18459 0.05106 0.06994 0.01433 0.06999 35 2PZ -0.12111 0.10106 0.17907 -0.04443 0.06856 36 3S 0.78949 -0.15718 -0.80318 0.26441 0.05885 37 3PX 0.13486 0.07817 -0.03591 0.03375 -0.16292 38 3PY -0.73538 0.14962 0.08310 0.10545 0.59627 39 3PZ -0.60518 0.33430 0.38496 -0.18164 0.72641 40 4XX 0.00288 0.00123 -0.00157 -0.00227 0.00158 41 4YY -0.00486 -0.00036 0.01025 -0.00104 -0.00754 42 4ZZ -0.00393 0.00093 -0.00596 -0.00797 0.01392 43 4XY 0.00571 -0.00110 -0.00379 0.01043 -0.00214 44 4XZ 0.00252 0.00872 -0.00537 -0.00423 0.00052 45 4YZ -0.02382 0.00605 0.00888 0.00087 -0.00465 46 4 C 1S 0.04874 -0.03311 -0.02883 0.02391 0.00576 47 2S -0.02211 0.03565 0.04926 -0.02066 -0.02774 48 2PX 0.01682 -0.03493 -0.04544 -0.08392 0.03702 49 2PY -0.17798 0.02874 0.15311 -0.07577 -0.01266 50 2PZ -0.11986 -0.01160 0.08731 0.04770 0.05437 51 3S -1.16838 0.65262 0.36019 -0.44536 0.29501 52 3PX 0.02979 0.18630 -0.38148 -0.49132 -0.05231 53 3PY -0.85779 0.14994 0.60887 -0.30532 0.06289 54 3PZ -0.38667 0.07386 0.34579 0.07334 0.43889 55 4XX -0.00473 0.00344 0.01276 0.01058 -0.00127 56 4YY 0.00089 -0.01021 -0.01353 0.00150 0.01158 57 4ZZ 0.01119 0.00261 -0.00312 -0.00874 -0.00898 58 4XY -0.00274 -0.02088 0.01653 0.00309 0.00341 59 4XZ -0.00133 0.00832 0.00538 -0.00772 0.00920 60 4YZ 0.01805 -0.01294 -0.01510 0.00594 -0.00654 61 5 C 1S 0.00672 0.01107 -0.05430 -0.06437 -0.04933 62 2S -0.02909 -0.01521 0.04969 0.07479 0.07354 63 2PX 0.04083 0.09288 0.05683 0.05395 0.14033 64 2PY 0.02493 -0.08589 0.04821 -0.04431 0.16507 65 2PZ 0.05668 -0.09271 0.10765 0.08425 0.10865 66 3S 0.05366 -0.09385 1.16125 1.28541 0.61845 67 3PX -0.01909 0.26197 0.38421 0.27180 0.14082 68 3PY -0.01337 -0.28596 0.35041 -0.34246 0.45481 69 3PZ 0.43742 -0.44574 0.36508 0.61195 0.39026 70 4XX -0.00347 0.00213 -0.00799 -0.02372 -0.00098 71 4YY 0.02200 0.00217 -0.00461 0.03083 -0.01208 72 4ZZ -0.01439 -0.00298 0.00566 -0.01476 0.00814 73 4XY 0.00974 -0.00195 -0.00758 -0.00411 -0.00610 74 4XZ 0.00446 0.00014 -0.01902 -0.01741 -0.00202 75 4YZ -0.00338 -0.00322 0.00259 0.01501 0.00366 76 6 C 1S -0.03278 -0.00996 0.01623 -0.08799 0.04815 77 2S 0.04682 0.01471 -0.00842 0.09606 -0.07482 78 2PX 0.00821 -0.03130 0.01409 0.04427 -0.17761 79 2PY -0.05792 -0.00688 0.01892 0.11868 -0.02877 80 2PZ 0.06060 0.11367 -0.11826 0.07904 -0.16378 81 3S 0.38300 0.06132 -0.45877 1.83051 -0.51425 82 3PX -0.04314 0.11191 0.22358 0.13128 -0.42557 83 3PY 0.02750 0.11962 0.35579 0.66239 -0.06820 84 3PZ 0.26190 0.44066 -0.46917 0.38369 -0.55508 85 4XX 0.00177 0.00089 0.00142 -0.01963 0.00361 86 4YY -0.01088 -0.00674 -0.00804 -0.01481 0.00368 87 4ZZ 0.00428 0.00278 0.00285 0.02583 0.00034 88 4XY -0.00949 -0.00593 -0.00598 -0.01875 -0.00300 89 4XZ 0.01516 -0.00661 0.00285 -0.00383 0.01112 90 4YZ -0.01031 0.00515 -0.01004 -0.02151 -0.01004 91 7 C 1S 0.05500 0.00889 -0.00860 0.02031 0.01300 92 2S -0.04675 -0.01472 -0.00623 -0.00957 0.00662 93 2PX -0.04446 0.06312 -0.00638 -0.10895 -0.00804 94 2PY -0.00026 -0.05696 -0.13307 0.07528 0.01380 95 2PZ -0.20937 0.04084 -0.03288 0.05915 -0.03013 96 3S -1.03575 -0.18203 0.32629 -0.48211 -0.66072 97 3PX -0.17993 -0.04866 0.15349 -0.64034 0.02415 98 3PY -0.17749 -0.52275 -0.86739 0.25754 0.21409 99 3PZ -1.05851 0.10390 -0.21515 0.21691 -0.45065 100 4XX 0.00392 0.01169 -0.00569 0.01913 -0.00441 101 4YY -0.01825 -0.01716 -0.00402 -0.00717 -0.00547 102 4ZZ 0.02235 0.00573 0.00802 -0.00878 0.01079 103 4XY -0.00553 -0.01102 0.00569 0.00020 -0.00167 104 4XZ 0.00187 0.01066 -0.00933 0.00198 -0.01123 105 4YZ -0.00993 0.00214 -0.00081 -0.00031 0.00061 106 8 C 1S 0.00319 0.02384 0.00421 0.00757 0.01517 107 2S 0.00222 -0.01225 0.00377 0.03239 -0.03777 108 2PX -0.14236 -0.10552 -0.03267 0.15960 -0.11280 109 2PY -0.00654 0.20720 -0.08600 -0.02931 0.04271 110 2PZ 0.04722 -0.24316 0.07347 -0.02745 -0.03570 111 3S -0.19305 -0.58111 -0.17852 -0.35451 -0.06517 112 3PX -0.54567 -0.47394 -0.46564 0.33219 -0.22806 113 3PY 0.21485 0.89873 -0.32882 -0.04897 0.30003 114 3PZ 0.33824 -0.98768 0.26788 -0.16079 -0.02805 115 4XX -0.00847 -0.00891 0.00568 -0.01947 0.00078 116 4YY 0.01053 0.01066 -0.00452 0.01773 0.00243 117 4ZZ -0.00254 -0.00330 -0.00216 0.01145 -0.00065 118 4XY 0.00443 -0.00824 0.00184 -0.00345 -0.00435 119 4XZ -0.01086 0.00764 0.00617 0.00383 -0.00010 120 4YZ -0.00825 -0.01505 0.00362 0.00435 -0.00663 121 9 C 1S -0.00466 -0.01623 0.01673 0.00383 -0.02347 122 2S 0.00488 0.00973 0.00991 0.03032 0.03980 123 2PX 0.08074 0.00329 0.14684 0.04884 0.07473 124 2PY 0.06675 0.33811 -0.05052 0.07059 0.08200 125 2PZ -0.12706 0.00364 -0.02804 -0.06419 -0.03101 126 3S 0.05832 0.39792 -0.44761 -0.26326 0.30082 127 3PX 0.38107 -0.16502 0.27838 -0.00776 0.29553 128 3PY 0.31494 1.34545 -0.34899 0.11553 0.31014 129 3PZ -0.32772 -0.06540 -0.25786 -0.12980 -0.16374 130 4XX 0.00794 0.01100 -0.00994 -0.01472 -0.00346 131 4YY -0.00251 -0.01691 0.00869 0.00761 -0.00337 132 4ZZ -0.00242 0.00714 0.00699 0.01502 0.00459 133 4XY -0.02066 0.00932 0.00402 -0.00644 -0.00211 134 4XZ -0.00097 0.00267 0.01324 0.00531 -0.00420 135 4YZ -0.00078 0.01187 -0.00024 -0.00069 0.00538 136 10 H 1S -0.02523 0.06734 0.01912 0.02602 0.02230 137 2S -0.26157 0.97470 -0.25771 0.02554 -0.01645 138 11 H 1S 0.00704 0.04127 -0.04314 -0.03702 0.01245 139 2S 0.62754 0.34510 0.41103 0.21064 0.32298 140 12 H 1S -0.04924 -0.04953 0.00491 -0.04272 -0.00400 141 2S -0.70536 -0.34028 -0.26093 0.50848 -0.29372 142 13 H 1S -0.02143 -0.06042 -0.00297 0.03465 -0.00909 143 2S 0.27937 -0.94765 0.31875 -0.06044 -0.04928 144 14 H 1S -0.01396 -0.03409 0.01313 -0.03722 -0.04523 145 2S 0.06374 0.46314 0.65212 -0.19583 -0.21813 146 15 C 1S 0.01864 0.00463 -0.02874 0.03448 -0.07558 147 2S -0.02677 -0.00697 0.06516 -0.03817 0.09741 148 2PX 0.06367 0.04176 0.09923 0.37116 0.02567 149 2PY -0.01971 0.00559 -0.03944 0.07504 -0.05103 150 2PZ -0.07182 0.05480 0.14631 0.12867 0.02896 151 3S -0.38615 -0.23164 0.23729 -0.80319 1.64764 152 3PX 0.08678 0.17558 0.16229 0.74356 0.03694 153 3PY -0.18806 -0.03477 -0.10819 0.37722 0.35103 154 3PZ -0.00034 0.02466 0.23291 0.28852 -0.00491 155 4XX -0.00859 -0.00264 -0.00945 0.01216 -0.01312 156 4YY 0.01255 -0.00074 -0.00338 -0.00891 0.00034 157 4ZZ -0.00431 -0.00312 0.00840 -0.00350 0.01876 158 4XY 0.00670 0.00117 0.00286 0.01284 -0.00647 159 4XZ -0.00301 -0.00437 -0.00642 0.00191 -0.01778 160 4YZ -0.00335 0.00125 0.00781 0.00214 -0.00057 161 16 O 1S -0.01369 0.00595 0.02038 0.04498 0.00140 162 2S 0.03026 -0.01457 -0.04754 -0.08853 0.00007 163 2PX -0.01377 0.01413 0.04146 -0.00949 0.04928 164 2PY -0.02539 -0.01024 -0.10449 0.01446 -0.23030 165 2PZ 0.03502 -0.00667 0.01519 -0.05188 0.10382 166 3S 0.11478 -0.05745 -0.19779 -0.47993 -0.02923 167 3PX -0.04471 0.02025 0.04887 -0.03482 0.10590 168 3PY -0.04797 -0.02595 -0.16687 0.02509 -0.45688 169 3PZ 0.04764 -0.00572 0.03195 -0.07642 0.20601 170 4XX 0.00236 -0.00028 0.00222 -0.00152 0.00227 171 4YY -0.00423 0.00052 0.00700 0.03766 -0.00076 172 4ZZ -0.00314 0.00205 0.00236 0.00453 0.00155 173 4XY 0.00135 -0.00068 -0.01259 -0.00799 -0.00413 174 4XZ 0.00522 -0.00001 0.00367 -0.00014 0.00198 175 4YZ -0.00078 -0.00154 -0.00582 -0.02043 -0.00143 176 17 C 1S 0.02669 -0.00219 0.04444 0.00976 0.07064 177 2S -0.04155 0.00056 -0.07468 0.00871 -0.08450 178 2PX 0.02373 -0.01288 0.13020 0.32594 0.00771 179 2PY -0.06287 0.01808 0.05346 0.20982 -0.06778 180 2PZ -0.04313 0.03476 0.11193 0.06767 -0.00546 181 3S -0.46065 0.11777 -0.83809 -0.45809 -1.54361 182 3PX 0.06685 -0.04295 0.46367 0.64266 -0.18297 183 3PY -0.01683 -0.01768 -0.00646 0.34506 0.22463 184 3PZ -0.06040 0.16235 0.29083 0.25307 -0.29481 185 4XX -0.00171 -0.00078 0.00847 0.00988 0.01181 186 4YY 0.00505 0.00099 -0.00526 -0.01018 -0.00240 187 4ZZ -0.00226 0.00387 -0.00429 -0.00280 -0.01456 188 4XY -0.00220 0.00294 0.00734 -0.00088 0.01640 189 4XZ 0.00516 0.00205 0.00427 0.00267 0.01524 190 4YZ -0.00358 0.00213 -0.00093 0.00929 -0.00546 191 18 O 1S -0.00993 0.00630 -0.00147 0.00722 -0.04600 192 2S 0.01478 -0.01281 0.01470 -0.02080 0.06185 193 2PX -0.01950 0.03003 -0.05684 -0.10871 -0.05185 194 2PY 0.04533 -0.01854 -0.02677 -0.09675 0.06430 195 2PZ 0.00885 -0.02095 -0.03535 0.00933 -0.04361 196 3S 0.14653 -0.10407 -0.05040 -0.06212 0.82175 197 3PX -0.04507 0.04177 -0.09123 -0.15804 -0.15602 198 3PY 0.07656 -0.04737 -0.05529 -0.16123 0.27764 199 3PZ -0.01973 -0.00520 -0.03763 -0.01517 -0.23537 200 4XX -0.00393 0.00221 0.00284 -0.00758 -0.01544 201 4YY -0.00508 0.00063 0.00828 0.00941 -0.00888 202 4ZZ -0.00051 -0.00169 -0.00129 -0.00077 -0.01353 203 4XY 0.00088 0.00172 0.00204 0.00565 -0.00350 204 4XZ 0.00350 -0.00131 -0.00073 -0.00434 0.01274 205 4YZ -0.00097 0.00202 -0.00258 -0.00322 -0.01719 206 19 O 1S -0.01700 -0.00477 0.00597 0.00611 0.04618 207 2S 0.02228 0.01130 -0.02553 -0.01128 -0.06180 208 2PX -0.02981 -0.03353 -0.02518 -0.14063 0.00786 209 2PY -0.05245 -0.01102 0.03019 0.00936 0.10212 210 2PZ 0.01909 0.00076 -0.03478 -0.04803 -0.01252 211 3S 0.27707 0.07557 -0.00455 -0.10064 -0.81330 212 3PX -0.04587 -0.04934 -0.04967 -0.21364 0.01247 213 3PY -0.12351 -0.03633 0.02997 0.02613 0.39419 214 3PZ 0.03281 -0.00969 -0.08137 -0.09209 -0.04571 215 4XX -0.01039 -0.00161 -0.00369 0.00244 0.01842 216 4YY -0.00199 0.00269 -0.00324 0.00173 -0.00572 217 4ZZ -0.00730 0.00011 0.00037 0.00110 0.02757 218 4XY -0.00240 -0.00065 -0.00301 -0.01169 -0.00161 219 4XZ -0.00040 0.00046 0.00188 0.00403 -0.00531 220 4YZ 0.00405 -0.00297 -0.00535 -0.00331 0.00374 221 20 H 1S -0.01376 0.03544 -0.01187 0.08814 -0.04217 222 2S 0.03861 0.48168 -0.37694 -0.09888 -0.41535 223 21 H 1S -0.01338 -0.02601 0.06951 0.06531 0.04225 224 2S 0.25489 -0.56749 0.19091 -0.21190 0.40273 225 22 H 1S -0.05600 0.04336 -0.01856 -0.02893 0.06376 226 2S -0.29283 -0.02784 0.30260 -0.11309 -0.09383 227 23 H 1S 0.01405 -0.00422 -0.00081 -0.01266 0.03672 228 2S 0.26039 -0.26918 -0.14179 0.13189 -0.53486 229 24 H 1S 0.00940 -0.00249 -0.05230 0.02517 0.00847 230 2S 0.45871 -0.13984 -0.23357 0.11694 -0.11482 231 25 H 1S -0.00539 -0.01510 -0.02829 -0.01018 0.05580 232 2S 0.25722 0.08119 -0.13979 -0.22739 0.19811 233 26 H 1S 0.00355 -0.00770 -0.04525 0.01670 0.04938 234 2S -0.04225 0.02507 0.07225 -0.03019 -0.09313 76 77 78 79 80 V V V V V Eigenvalues -- 0.29696 0.32685 0.33648 0.35803 0.39058 1 1 C 1S -0.01100 0.01067 0.00178 -0.00421 -0.00572 2 2S 0.00150 0.05669 0.02999 0.02676 -0.06107 3 2PX 0.00503 0.00081 0.05439 -0.00391 -0.02439 4 2PY -0.08670 -0.01290 0.00768 0.02291 0.17906 5 2PZ -0.16945 -0.02145 -0.03952 -0.01381 -0.00228 6 3S 0.38088 -0.77325 -0.26066 -0.08881 0.59382 7 3PX 0.05683 -0.20309 0.24171 0.16684 0.23354 8 3PY -0.50836 0.73504 0.37964 0.12719 -0.56289 9 3PZ -0.61734 0.03376 -0.12602 0.02796 0.25265 10 4XX 0.01142 -0.00185 -0.00349 0.00365 0.00559 11 4YY -0.00123 0.00903 0.00916 -0.00737 -0.00603 12 4ZZ -0.01165 0.00024 -0.00255 0.00461 -0.00769 13 4XY 0.00329 -0.00883 0.00558 -0.00704 0.00134 14 4XZ 0.00235 0.00039 0.00572 -0.00038 0.00250 15 4YZ -0.01322 0.00474 0.00126 0.00400 0.00464 16 2 C 1S 0.00218 0.00179 -0.00354 -0.00870 -0.02592 17 2S 0.01328 0.00961 -0.00194 -0.01032 -0.01471 18 2PX 0.05729 0.01564 -0.17511 -0.03047 -0.07656 19 2PY -0.15758 0.01434 -0.07840 -0.02087 0.05140 20 2PZ -0.07005 0.21232 0.11732 0.00631 -0.20695 21 3S 0.15555 0.01706 0.26077 0.34036 0.25161 22 3PX 0.27180 0.13145 -0.37667 -0.11862 -0.07426 23 3PY -1.03325 0.47110 -0.20180 0.14962 0.21053 24 3PZ -0.17348 1.47195 0.72670 -0.04677 -1.82639 25 4XX -0.00906 -0.00450 -0.00255 -0.00407 0.01022 26 4YY 0.00140 0.00617 0.00080 0.00846 -0.02559 27 4ZZ 0.01280 -0.00486 -0.00199 -0.01192 -0.00117 28 4XY -0.00242 -0.00513 -0.00298 0.01150 0.00945 29 4XZ -0.00211 0.00517 -0.00620 0.00380 0.00137 30 4YZ 0.00820 0.00827 0.00412 -0.00042 -0.00491 31 3 C 1S 0.02163 -0.00797 0.00547 -0.01029 0.02278 32 2S -0.04659 0.04698 0.04056 -0.00168 -0.08115 33 2PX -0.02015 0.01573 0.15023 -0.03959 0.02289 34 2PY 0.00989 -0.06921 -0.01570 -0.00156 0.05134 35 2PZ 0.09067 -0.08705 -0.02334 -0.02165 0.09725 36 3S -0.76326 0.15532 -0.34581 0.33621 -0.12380 37 3PX 0.04953 -0.07581 0.48772 0.11562 -0.26966 38 3PY -0.42829 -0.77866 -0.45502 -0.25320 1.42363 39 3PZ 0.61686 -0.92986 -0.24830 -0.08966 0.84923 40 4XX 0.00777 0.00487 0.00047 0.00391 -0.00616 41 4YY 0.00168 0.01173 0.01271 -0.00531 -0.00104 42 4ZZ -0.01800 -0.00371 -0.00202 -0.00521 0.00675 43 4XY 0.00223 -0.00708 -0.00069 -0.00419 -0.00355 44 4XZ 0.00164 -0.00508 0.01453 0.01311 0.00162 45 4YZ -0.01354 -0.00252 -0.00145 -0.00418 0.01311 46 4 C 1S 0.07440 0.05042 0.02803 -0.00977 -0.02275 47 2S -0.09389 0.00133 0.00160 -0.03485 -0.00591 48 2PX 0.05196 0.19897 -0.22266 -0.12255 -0.02767 49 2PY -0.06762 0.01557 -0.07254 -0.10191 0.15352 50 2PZ 0.12832 0.00237 0.00454 -0.06472 0.18597 51 3S -1.49144 -1.70170 -0.96840 0.51039 0.89731 52 3PX 0.21389 0.89588 -1.16913 0.10986 -0.35903 53 3PY -0.16309 -0.38369 -0.52784 -0.16638 0.95814 54 3PZ 1.09665 -0.06449 0.15707 -0.54143 0.75230 55 4XX 0.01315 -0.00028 -0.01218 0.01786 0.01388 56 4YY -0.02205 -0.00302 -0.00037 -0.00814 -0.00146 57 4ZZ 0.01273 0.00746 0.01379 -0.00809 -0.00960 58 4XY 0.01217 -0.00399 0.00394 -0.00222 -0.00391 59 4XZ -0.00193 0.01077 -0.01964 0.01236 0.00031 60 4YZ -0.00742 0.01459 -0.00204 0.00257 -0.00079 61 5 C 1S -0.04413 0.02998 -0.00308 -0.00263 0.05648 62 2S 0.02147 -0.00376 0.01588 0.04291 -0.03675 63 2PX -0.21075 0.12142 -0.19234 -0.03075 -0.09108 64 2PY -0.00810 -0.00330 -0.08598 0.16156 -0.23441 65 2PZ 0.02706 -0.02730 0.16299 -0.06595 0.05076 66 3S 1.17962 -1.15028 -0.08776 -0.12625 -1.86806 67 3PX -0.98667 -0.42223 -1.24296 0.55511 -0.39969 68 3PY 0.30577 -0.43768 -0.53302 0.41270 -1.56835 69 3PZ -0.00373 -0.23178 0.75641 0.03237 0.12761 70 4XX -0.00989 0.00323 0.00839 -0.01274 -0.01642 71 4YY -0.00160 0.00009 0.00313 0.01000 0.01496 72 4ZZ 0.00751 0.00135 -0.00739 0.00588 -0.00128 73 4XY 0.00440 0.00709 0.00975 -0.03395 -0.01268 74 4XZ 0.00284 -0.00062 0.01907 0.01172 -0.00463 75 4YZ 0.00104 -0.00274 -0.00135 -0.02993 -0.00543 76 6 C 1S 0.04219 -0.02995 0.00602 -0.00451 -0.05362 77 2S -0.01095 0.00631 -0.01175 0.03822 0.01713 78 2PX 0.20132 -0.12152 0.21816 0.03104 0.18336 79 2PY 0.06356 0.00211 -0.06764 -0.16808 -0.21736 80 2PZ -0.03441 0.03575 -0.07057 0.05560 0.10148 81 3S -1.14676 1.09715 0.02284 -0.07083 1.91824 82 3PX 0.80276 0.54539 1.40514 0.75302 0.93918 83 3PY 0.49412 0.02677 -0.44982 -0.06729 -0.85263 84 3PZ -0.35493 0.37945 -0.40173 0.20829 0.96780 85 4XX 0.00643 -0.00343 -0.00014 -0.03111 0.00952 86 4YY -0.00037 -0.00287 -0.00776 0.04482 -0.00514 87 4ZZ -0.00062 -0.00049 0.00660 -0.01340 -0.00081 88 4XY 0.00305 0.00161 -0.01239 0.00312 0.01323 89 4XZ -0.00701 -0.00352 -0.01871 -0.01415 0.00181 90 4YZ -0.00794 0.00214 0.00492 -0.01269 0.00619 91 7 C 1S -0.08351 -0.06222 -0.03548 -0.01025 0.03422 92 2S 0.09516 0.00451 0.00518 -0.04483 0.01867 93 2PX -0.02481 -0.17646 0.27433 -0.11682 0.00658 94 2PY -0.13471 -0.07799 0.02355 -0.01739 -0.00742 95 2PZ -0.06489 0.00965 0.00984 -0.07909 -0.14252 96 3S 1.74381 1.97135 1.11309 0.62285 -1.25237 97 3PX -0.04517 -0.66756 1.29621 0.26501 0.12727 98 3PY -0.74096 -0.63387 -0.04938 -0.23582 0.16483 99 3PZ -0.51515 0.66070 0.28963 -0.37477 -1.55230 100 4XX -0.01398 0.00875 0.00351 0.01136 -0.01450 101 4YY 0.00275 0.00360 0.00500 -0.00026 0.00108 102 4ZZ 0.00742 -0.01942 -0.01191 -0.00984 0.01448 103 4XY 0.00063 -0.01267 0.01938 0.02090 -0.00886 104 4XZ 0.00562 -0.00605 0.00599 0.00346 0.00520 105 4YZ -0.02092 -0.00022 -0.00377 -0.00046 -0.00383 106 8 C 1S 0.04681 0.03811 0.00069 0.00832 -0.00719 107 2S -0.00540 -0.02547 0.01827 0.01713 -0.04419 108 2PX -0.10414 -0.03856 0.11525 0.08966 -0.07978 109 2PY -0.09431 -0.09164 0.19603 0.05408 -0.07918 110 2PZ -0.04529 -0.05278 0.05132 -0.02862 -0.00030 111 3S -1.12339 -0.95717 -0.15077 -0.36958 0.44051 112 3PX -0.84171 -0.57580 0.14874 -0.14149 0.01346 113 3PY -0.41292 -0.52138 0.82227 -0.16144 -0.24163 114 3PZ -0.49661 -0.55457 0.15794 0.02545 0.48413 115 4XX 0.01099 -0.00257 -0.00278 -0.01017 0.00671 116 4YY -0.00188 0.00174 0.00222 0.00444 -0.00437 117 4ZZ -0.00047 0.00005 -0.00038 0.00314 -0.00519 118 4XY 0.00749 0.00280 -0.00333 0.01667 0.00068 119 4XZ 0.01392 0.01697 0.00007 0.00831 -0.00643 120 4YZ -0.00206 0.00718 -0.00567 0.00483 -0.00893 121 9 C 1S -0.04505 -0.03668 -0.00253 0.00952 0.00531 122 2S 0.01087 0.03093 -0.01920 0.00873 0.03365 123 2PX 0.12808 0.07157 -0.17180 0.07924 0.08664 124 2PY 0.00533 0.00018 0.03637 -0.02085 -0.02419 125 2PZ 0.09519 0.12388 -0.14366 -0.01553 -0.01615 126 3S 1.08994 0.89985 0.18906 -0.36094 -0.38230 127 3PX 0.87085 0.58803 -0.38211 -0.27688 0.17605 128 3PY 0.41191 0.24520 0.33521 0.13955 -0.49656 129 3PZ 0.46438 0.63719 -0.67006 -0.14392 -0.08389 130 4XX -0.00870 0.00815 0.00387 0.00058 -0.01633 131 4YY -0.00617 -0.00282 -0.00778 -0.00491 0.00679 132 4ZZ 0.00865 -0.00371 0.00289 0.00091 0.00983 133 4XY -0.00903 -0.00662 0.00504 -0.00594 0.00074 134 4XZ -0.00841 -0.01415 -0.00075 0.01891 0.00342 135 4YZ -0.00361 -0.00488 0.00241 0.00652 0.00734 136 10 H 1S 0.03333 -0.02418 -0.00975 0.00937 0.03843 137 2S 0.13780 0.15032 -0.28265 0.03928 -0.22820 138 11 H 1S -0.00779 0.04866 0.01081 -0.04869 -0.04474 139 2S 0.06898 -0.14796 -0.02910 0.11994 0.16442 140 12 H 1S 0.00373 -0.04082 0.00077 -0.05307 0.03371 141 2S -0.02532 0.13400 0.00439 0.13087 -0.15667 142 13 H 1S -0.02809 0.01885 0.01181 0.01593 -0.01968 143 2S -0.12678 -0.11091 0.28022 0.04842 0.17817 144 14 H 1S 0.03051 0.02931 0.00152 -0.04138 0.02949 145 2S -0.09032 0.05176 0.04943 -0.09892 -0.17757 146 15 C 1S 0.02178 0.00193 0.00774 -0.00001 0.05819 147 2S 0.00729 -0.05481 -0.04716 -0.09396 -0.17518 148 2PX -0.04536 -0.05546 0.13562 -0.04477 -0.21618 149 2PY -0.00479 0.15068 0.03283 0.23309 0.14473 150 2PZ 0.05778 0.05898 0.16683 -0.00134 -0.15737 151 3S -0.77646 0.41102 0.01258 0.48525 -0.41458 152 3PX -0.11244 0.59918 0.36614 -0.09651 0.39997 153 3PY -0.22334 1.40118 0.60327 1.73259 1.54025 154 3PZ 0.17548 -0.01291 0.26083 -0.23206 -0.05329 155 4XX -0.00905 0.00449 -0.01130 0.00602 0.00672 156 4YY 0.00157 0.00218 0.01064 -0.01603 0.03012 157 4ZZ 0.00370 0.01446 0.00738 0.00365 -0.00863 158 4XY 0.00312 -0.00629 0.00804 -0.01735 -0.00453 159 4XZ 0.01551 -0.00444 -0.00723 0.00489 0.01055 160 4YZ 0.00209 -0.00390 0.01086 -0.00189 -0.00683 161 16 O 1S -0.00170 0.00307 0.00484 -0.05287 -0.00203 162 2S 0.00364 -0.01050 -0.01041 0.05336 0.01260 163 2PX -0.02541 0.01721 0.04418 -0.17634 -0.05434 164 2PY 0.07698 -0.03054 -0.12577 -0.10451 0.19346 165 2PZ -0.03693 0.01873 0.06671 -0.09524 -0.09698 166 3S 0.03482 -0.02635 -0.07794 1.18317 -0.01445 167 3PX -0.05349 0.05962 0.08390 -0.47455 -0.04941 168 3PY 0.17398 -0.20590 -0.21547 -0.23887 0.20186 169 3PZ -0.08810 0.10318 0.11794 -0.20625 -0.10065 170 4XX 0.00338 -0.01074 0.00063 -0.02974 -0.01516 171 4YY 0.00250 0.01974 0.00864 -0.02418 0.02146 172 4ZZ -0.00645 -0.00986 -0.00656 -0.02030 -0.00332 173 4XY -0.01134 0.02482 -0.00078 -0.00355 0.04297 174 4XZ 0.00310 -0.01466 -0.00188 -0.00566 -0.02261 175 4YZ 0.00803 0.00520 0.00610 0.00187 0.00651 176 17 C 1S -0.01975 -0.00393 -0.01065 0.00588 -0.05876 177 2S -0.01956 0.07787 0.07032 -0.09318 0.14179 178 2PX 0.06924 -0.00570 -0.12766 0.01909 0.13072 179 2PY -0.03900 0.11858 -0.09202 -0.18218 0.20496 180 2PZ -0.04319 -0.12061 -0.10726 0.14403 -0.06264 181 3S 0.83586 -0.47792 -0.06528 0.35813 0.51324 182 3PX 0.22877 -1.04410 -0.56880 0.43528 -0.88844 183 3PY -0.30883 0.72624 0.22116 -1.25590 0.85065 184 3PZ 0.08972 -0.96029 -0.70465 0.99593 -0.88654 185 4XX 0.01123 0.00018 0.00496 -0.00543 -0.01350 186 4YY -0.00389 -0.01529 0.00364 0.00813 -0.01400 187 4ZZ -0.00260 -0.00462 -0.01540 -0.00738 -0.00528 188 4XY -0.00386 0.00300 0.01237 0.01670 -0.00249 189 4XZ -0.01333 0.00889 -0.00460 -0.01113 -0.01483 190 4YZ -0.00612 -0.00175 -0.00070 0.00239 0.01950 191 18 O 1S 0.02607 -0.06024 -0.02707 0.06354 -0.02629 192 2S -0.03287 0.03222 0.01714 -0.08759 -0.02415 193 2PX 0.01053 0.02217 0.01817 0.10070 0.04481 194 2PY -0.02285 0.05879 0.04222 0.00911 -0.00291 195 2PZ 0.03074 -0.04769 0.03648 0.05288 0.04910 196 3S -0.51508 1.37444 0.65740 -1.33376 0.93043 197 3PX 0.05465 -0.15310 -0.03524 0.30626 -0.07578 198 3PY -0.13962 0.39934 0.24984 -0.30140 0.19658 199 3PZ 0.18221 -0.33345 -0.09424 0.34097 -0.19066 200 4XX 0.01326 -0.03692 -0.01340 0.02520 -0.03335 201 4YY 0.00034 -0.02173 -0.01418 0.00896 -0.00592 202 4ZZ 0.00853 -0.02926 -0.00651 0.01355 -0.01392 203 4XY 0.00504 -0.00796 -0.00835 0.00946 -0.00797 204 4XZ -0.01103 0.00914 0.01262 -0.00692 0.00665 205 4YZ 0.00496 -0.02534 -0.01149 0.01959 -0.02069 206 19 O 1S -0.02190 0.05634 0.01776 0.07017 0.03165 207 2S 0.03044 -0.03154 -0.00244 -0.09632 0.02407 208 2PX 0.00634 -0.05712 -0.04395 0.07694 -0.02910 209 2PY -0.03962 0.06446 -0.00528 0.08158 -0.04545 210 2PZ -0.01227 -0.01436 -0.05651 0.02831 -0.00202 211 3S 0.41417 -1.28275 -0.47072 -1.46007 -1.04247 212 3PX 0.03063 -0.06038 -0.08674 0.11285 -0.01075 213 3PY -0.19378 0.49825 0.15392 0.58774 0.32994 214 3PZ -0.01936 -0.07206 -0.11363 -0.04064 -0.03439 215 4XX -0.01404 0.03604 0.01639 0.03155 0.03880 216 4YY 0.00352 0.00181 -0.00336 -0.00750 -0.00620 217 4ZZ -0.00710 0.04394 0.01731 0.03127 0.03332 218 4XY 0.00229 0.00445 -0.00633 0.00318 0.01049 219 4XZ 0.00538 -0.00129 -0.00034 0.00083 -0.00023 220 4YZ -0.00325 0.00165 -0.00705 0.00372 0.01227 221 20 H 1S 0.00310 0.00462 0.02151 -0.05635 -0.03497 222 2S -0.00684 0.09557 -0.37550 0.12824 0.19916 223 21 H 1S 0.00324 -0.00395 -0.02212 -0.05834 0.03571 224 2S 0.01551 -0.09061 0.38048 0.17014 -0.22279 225 22 H 1S -0.04121 -0.04120 -0.00501 -0.04624 0.00767 226 2S -0.17132 0.02503 -0.02611 -0.13756 0.24960 227 23 H 1S -0.07770 -0.02695 -0.01650 -0.00583 0.04522 228 2S -0.48878 0.52607 0.15397 -0.01569 -0.34145 229 24 H 1S 0.06135 -0.05070 -0.02059 -0.06087 0.01092 230 2S 0.13546 -0.14653 -0.37612 -0.19557 -0.03755 231 25 H 1S 0.05327 -0.01671 -0.00210 0.03342 0.05212 232 2S 0.02219 -0.18332 0.15364 0.06779 0.14777 233 26 H 1S 0.00525 -0.01527 -0.00507 0.01916 -0.02279 234 2S 0.51277 0.22146 0.22429 0.04173 -0.29516 81 82 83 84 85 V V V V V Eigenvalues -- 0.41373 0.42392 0.44556 0.48679 0.49434 1 1 C 1S -0.00220 0.00549 0.00617 -0.00152 0.00038 2 2S -0.03221 0.02782 0.07449 0.01619 -0.02041 3 2PX -0.03400 -0.03388 0.17372 0.05405 -0.00820 4 2PY 0.10459 0.04162 -0.19789 0.11139 0.17581 5 2PZ -0.02295 0.01108 -0.07102 -0.17083 -0.28517 6 3S 0.34628 -0.92291 -0.47099 0.07582 0.22155 7 3PX -0.03594 -0.01452 -0.31061 -0.22310 0.03776 8 3PY -0.36807 0.37620 0.10435 -0.16809 -0.22639 9 3PZ 0.08986 1.02646 0.47229 0.02701 0.15733 10 4XX 0.00588 -0.00098 -0.00200 0.01731 0.03444 11 4YY -0.00059 0.00523 0.00122 0.02723 0.03929 12 4ZZ -0.00712 -0.00345 0.00860 -0.04182 -0.08127 13 4XY -0.00219 -0.00293 0.01230 0.01009 0.00048 14 4XZ -0.00138 0.00109 -0.01423 -0.00513 -0.00054 15 4YZ 0.00107 0.00910 0.00328 -0.00783 -0.00791 16 2 C 1S -0.01538 0.06779 0.02718 -0.01158 -0.01303 17 2S -0.03669 -0.11416 0.23706 -0.10535 -0.11121 18 2PX 0.07577 -0.13910 0.23538 0.11359 0.04094 19 2PY 0.05492 0.32529 0.06353 0.00875 0.02507 20 2PZ -0.08168 -0.08786 -0.07406 0.04614 0.04778 21 3S 0.30730 -3.25659 -0.94336 0.81612 1.09958 22 3PX 0.17916 -0.69592 -0.31887 0.17314 0.09702 23 3PY -0.07698 3.19553 1.07183 -0.57556 -0.82006 24 3PZ -0.91422 -0.06761 -0.36277 0.06607 -0.06306 25 4XX 0.00508 -0.00037 -0.01261 0.00163 -0.00404 26 4YY -0.01647 -0.01644 0.04569 -0.03832 -0.05162 27 4ZZ -0.00254 -0.00143 0.03907 0.01805 0.05636 28 4XY 0.00563 0.00834 -0.03442 -0.00652 0.01655 29 4XZ 0.00262 -0.00174 0.00182 0.00033 -0.01314 30 4YZ -0.00328 0.00218 0.01709 0.01846 0.03266 31 3 C 1S 0.01457 -0.08523 -0.01661 0.01410 0.02025 32 2S -0.04215 -0.13879 0.26444 -0.10802 -0.12336 33 2PX -0.08003 -0.02530 0.27957 0.15938 0.09383 34 2PY -0.02034 -0.03196 0.15966 -0.15146 -0.32708 35 2PZ 0.03329 -0.14465 -0.04381 0.02631 0.01170 36 3S -0.24496 4.18956 0.81013 -0.50986 -0.51097 37 3PX -0.26793 -0.41372 -0.44645 -0.03303 0.00008 38 3PY 0.56368 2.35177 0.69417 -0.33799 -0.25300 39 3PZ 0.56452 -2.18756 -0.39132 0.33003 0.38422 40 4XX -0.00128 0.00557 -0.02043 -0.00863 -0.00208 41 4YY -0.00171 -0.02494 0.02414 0.00757 0.01408 42 4ZZ 0.00252 -0.00114 0.05938 -0.01794 -0.00997 43 4XY -0.00269 0.00499 0.00434 0.01151 -0.00965 44 4XZ -0.00670 -0.00610 -0.01228 -0.00880 -0.00616 45 4YZ 0.00780 0.04020 -0.00148 0.00554 0.02579 46 4 C 1S -0.03122 0.06245 0.00576 -0.01069 -0.00993 47 2S 0.02087 0.00072 0.00178 -0.01332 0.04112 48 2PX 0.04165 0.00058 -0.01306 0.07786 -0.08256 49 2PY 0.10391 0.02476 0.03249 -0.01820 0.05790 50 2PZ 0.01965 0.21196 0.16105 0.02227 0.03045 51 3S 0.91639 -1.92568 -0.22584 0.19166 0.18081 52 3PX 0.44630 0.22235 0.11777 -0.11333 0.10439 53 3PY 0.52187 -1.37760 -0.17206 0.16658 -0.09233 54 3PZ 0.25518 0.56237 0.19805 -0.31979 -0.42265 55 4XX -0.01428 -0.01238 -0.01964 -0.01952 -0.02256 56 4YY 0.00390 0.03252 0.01820 0.00494 0.01180 57 4ZZ 0.00916 -0.02467 -0.00840 0.00296 0.01306 58 4XY -0.00691 -0.00527 -0.00568 0.00774 -0.01805 59 4XZ 0.01014 -0.00996 0.00056 -0.02966 0.01838 60 4YZ -0.00163 0.01348 0.00162 0.00370 0.02681 61 5 C 1S 0.05951 -0.02867 -0.00999 -0.00120 0.00717 62 2S -0.13326 -0.02242 0.01179 -0.03519 -0.00384 63 2PX -0.15560 -0.06149 0.00732 -0.20515 0.24924 64 2PY 0.00056 0.08008 0.01677 -0.03922 0.17327 65 2PZ -0.25222 -0.07228 -0.04347 -0.10565 -0.09086 66 3S -0.96765 1.33671 0.14874 0.24521 -0.20604 67 3PX -0.51438 -0.72474 -0.28367 0.48186 -0.03765 68 3PY 0.14849 0.23085 0.15701 0.02690 -0.06211 69 3PZ -0.97685 0.22790 0.19602 0.26146 0.09276 70 4XX 0.00629 -0.00750 0.00287 0.00692 0.00196 71 4YY -0.00773 0.00640 -0.00639 -0.00719 0.01935 72 4ZZ 0.00206 0.00758 -0.00185 -0.00659 -0.01813 73 4XY -0.00719 -0.00999 0.00388 -0.01364 0.00103 74 4XZ 0.01538 0.00595 0.03235 -0.00538 0.01759 75 4YZ -0.00139 0.01240 -0.01673 -0.00715 0.00088 76 6 C 1S -0.05763 0.03431 -0.00947 0.00056 0.00895 77 2S 0.11596 -0.03639 0.03858 -0.07048 -0.05910 78 2PX 0.11398 0.02361 0.10667 -0.28548 0.14468 79 2PY 0.19894 -0.02906 -0.01219 -0.16318 -0.15979 80 2PZ 0.13036 -0.06785 0.01559 -0.11928 -0.06529 81 3S 0.99392 -1.20838 -0.03591 0.42377 0.01025 82 3PX 0.25057 0.62204 0.16575 0.13607 -0.36475 83 3PY 0.99257 0.46410 0.13553 0.32121 0.04780 84 3PZ 0.50112 -0.42047 0.27560 0.19117 0.17145 85 4XX -0.00253 -0.00764 0.00810 -0.01398 -0.02235 86 4YY -0.00991 0.00204 0.01864 0.00660 0.01059 87 4ZZ 0.01057 -0.00324 -0.02918 0.00276 0.01471 88 4XY -0.01277 -0.00050 0.01201 0.00826 0.01313 89 4XZ -0.00369 -0.00594 0.01986 -0.01980 0.01188 90 4YZ -0.00782 -0.01451 0.00505 -0.00029 -0.00908 91 7 C 1S 0.03648 -0.04888 -0.00597 0.00233 0.00613 92 2S -0.00947 0.03222 0.02490 0.03731 0.13176 93 2PX -0.07953 0.01747 -0.00478 0.08289 -0.03758 94 2PY 0.04230 -0.06136 0.05185 0.13472 0.07841 95 2PZ -0.01950 0.04000 0.05135 0.18604 0.38855 96 3S -1.10477 1.42191 -0.02536 -0.45707 -0.77685 97 3PX -0.55186 0.38169 0.09073 -0.12868 0.04870 98 3PY -0.00823 -1.52251 -0.32840 0.00880 0.22049 99 3PZ -0.63638 0.10832 -0.26870 -0.18882 -0.61485 100 4XX 0.01505 -0.00095 -0.02006 0.00475 -0.01549 101 4YY -0.01258 0.00623 0.00007 -0.00652 0.02365 102 4ZZ 0.00146 0.00540 0.01286 -0.00551 0.00374 103 4XY -0.00255 0.00778 -0.00580 -0.03179 0.01222 104 4XZ -0.00172 -0.00205 0.00176 -0.00503 0.01950 105 4YZ -0.00865 0.00876 -0.00459 -0.02665 -0.03840 106 8 C 1S -0.01719 0.02201 -0.00042 -0.00365 -0.00446 107 2S 0.03151 0.01998 0.00941 0.00328 -0.01606 108 2PX 0.02707 0.02251 -0.05612 0.05131 -0.00297 109 2PY -0.11499 -0.02604 -0.02965 -0.24786 0.02455 110 2PZ -0.00593 -0.02630 0.04161 -0.04117 -0.09485 111 3S 0.22098 -1.01977 -0.08585 0.16356 0.11859 112 3PX 0.15184 -0.87213 -0.08766 0.15264 0.16203 113 3PY -0.45151 0.14330 0.01682 0.39919 0.05742 114 3PZ 0.17116 -0.30795 0.01530 0.09444 0.20995 115 4XX -0.01130 -0.00145 0.00606 -0.04947 -0.00088 116 4YY -0.00081 -0.00102 0.00156 0.01505 -0.01746 117 4ZZ 0.01118 -0.00381 -0.00701 0.03796 0.01624 118 4XY 0.00131 0.00236 -0.00867 -0.01567 -0.00461 119 4XZ -0.00309 0.01094 -0.00601 0.00988 -0.00334 120 4YZ 0.00672 -0.00741 -0.00779 -0.02298 0.00657 121 9 C 1S 0.01721 -0.02495 -0.00322 0.00551 0.00557 122 2S -0.03853 -0.04756 0.00975 -0.00072 -0.03249 123 2PX 0.00550 -0.03474 -0.03926 -0.07477 -0.05386 124 2PY -0.07326 0.00085 0.03051 0.14864 -0.08096 125 2PZ 0.05554 -0.11001 0.01916 -0.18659 -0.01959 126 3S -0.19026 1.08051 0.16097 -0.07455 -0.11711 127 3PX 0.05169 0.73233 0.25447 -0.02534 -0.23003 128 3PY -0.46084 0.60447 -0.02662 -0.25929 0.08608 129 3PZ 0.26530 0.19473 0.02692 0.19861 -0.01781 130 4XX 0.00510 -0.01787 -0.00432 -0.03288 0.02031 131 4YY 0.00728 0.00744 0.00603 0.04219 -0.00964 132 4ZZ -0.01136 0.00917 0.00324 -0.00514 -0.01476 133 4XY 0.00424 -0.01187 -0.00031 -0.02063 0.00426 134 4XZ -0.00040 -0.01353 -0.01168 0.00679 -0.00477 135 4YZ -0.00520 0.00782 -0.00504 0.00480 0.00393 136 10 H 1S -0.02751 0.05582 0.00133 0.08996 -0.03847 137 2S 0.00087 -0.08910 -0.04137 -0.02331 0.04687 138 11 H 1S 0.01135 0.00923 0.04142 -0.10556 0.04435 139 2S -0.14513 0.22496 0.04458 0.03479 -0.13255 140 12 H 1S -0.02025 -0.04237 0.04403 -0.10991 0.03029 141 2S 0.14810 -0.21119 -0.09421 0.15900 0.03296 142 13 H 1S 0.03504 -0.01705 -0.02606 0.13386 0.03138 143 2S -0.02349 0.03392 0.06278 -0.07532 -0.06196 144 14 H 1S -0.00860 -0.02859 -0.00709 0.05641 0.13153 145 2S 0.01589 0.60483 0.05891 -0.04213 -0.12974 146 15 C 1S 0.01731 -0.00112 -0.01922 -0.00400 -0.03275 147 2S -0.04499 -0.03860 0.36045 -0.19173 0.31757 148 2PX 0.40905 0.02227 -0.06643 -0.37159 0.14611 149 2PY -0.03148 -0.02143 -0.04578 0.12374 -0.04881 150 2PZ 0.17292 -0.04742 0.44112 0.08089 -0.08728 151 3S -0.46112 -0.18553 -0.78453 0.31759 -0.32346 152 3PX 1.10588 -0.15225 0.11495 0.65626 -0.44107 153 3PY -0.08762 -0.23218 0.28280 -0.10506 0.02420 154 3PZ 0.53842 0.21997 -0.52929 -0.04503 -0.09827 155 4XX -0.00894 -0.02425 0.02558 -0.03878 0.02362 156 4YY 0.01246 -0.00089 -0.01491 0.00619 -0.03519 157 4ZZ -0.00319 0.00623 0.01478 0.01286 0.01416 158 4XY 0.03047 -0.00809 0.02422 -0.05117 0.01479 159 4XZ -0.00551 0.00183 0.00919 -0.00843 -0.00267 160 4YZ 0.00956 -0.00274 0.02524 -0.02485 0.01532 161 16 O 1S -0.00068 -0.00161 -0.00112 0.00983 -0.00798 162 2S 0.01019 0.03667 -0.11976 0.02923 -0.03263 163 2PX 0.06231 -0.02475 0.09096 -0.15426 0.13678 164 2PY -0.31987 -0.02840 0.03233 -0.02838 0.02194 165 2PZ 0.13144 -0.02006 0.04709 0.00126 -0.03089 166 3S -0.03714 -0.17774 0.72876 -0.68786 0.57265 167 3PX 0.13507 0.01840 -0.22431 0.09669 -0.13422 168 3PY -0.59106 0.06568 -0.02552 0.06730 -0.02988 169 3PZ 0.25176 -0.04474 0.05821 0.07774 -0.05909 170 4XX 0.00387 0.01471 -0.01668 0.03273 -0.01811 171 4YY 0.00002 -0.01237 0.01862 -0.06782 0.04564 172 4ZZ 0.00064 0.01290 -0.06539 0.03240 -0.03232 173 4XY -0.00433 -0.01705 -0.01383 0.01645 -0.01209 174 4XZ 0.00078 0.00486 0.00711 -0.03224 0.02128 175 4YZ 0.00683 0.01808 -0.04920 0.05318 -0.04688 176 17 C 1S -0.01621 0.00671 -0.03484 0.01134 -0.00671 177 2S 0.01560 -0.10231 0.36992 -0.23756 0.24249 178 2PX -0.33018 0.01582 -0.15878 -0.28025 0.17544 179 2PY -0.33642 -0.19655 0.25261 -0.10295 0.09507 180 2PZ -0.08489 -0.10430 0.27759 0.17636 -0.15485 181 3S 0.52882 0.40701 -0.42823 0.19685 -0.48408 182 3PX -0.93033 0.27271 0.14930 0.65529 -0.26090 183 3PY -0.76152 0.01741 -0.56048 0.28018 -0.18566 184 3PZ -0.10515 0.16386 -0.28325 -0.04838 0.20803 185 4XX -0.01660 0.00001 0.02799 -0.05359 0.03197 186 4YY 0.02336 0.01181 -0.01954 0.03748 -0.02230 187 4ZZ -0.00920 -0.00573 0.00913 0.00233 0.00790 188 4XY 0.01737 -0.00212 0.02150 -0.01279 0.00291 189 4XZ -0.02232 -0.00867 0.00168 -0.01479 0.02259 190 4YZ -0.00500 -0.01156 0.02871 -0.02074 0.01730 191 18 O 1S 0.00747 0.01244 0.00908 0.00623 -0.00271 192 2S -0.01231 0.00579 -0.06559 0.01446 -0.01727 193 2PX 0.14336 -0.03039 0.01665 -0.03844 0.01522 194 2PY 0.08080 0.00619 -0.05817 0.03831 -0.01494 195 2PZ 0.03534 0.02830 0.08266 -0.01173 0.02129 196 3S -0.13927 -0.31639 0.01582 -0.18869 0.10049 197 3PX 0.26957 0.02948 0.01487 -0.03386 0.01524 198 3PY 0.14390 -0.11100 0.06697 -0.11887 0.05471 199 3PZ 0.08082 0.08760 0.04261 0.06657 -0.07013 200 4XX 0.01670 0.01421 -0.00684 0.02455 -0.01833 201 4YY -0.01752 -0.00536 0.01591 -0.00449 0.00166 202 4ZZ 0.00810 0.01975 -0.03317 -0.00048 -0.00094 203 4XY -0.00668 0.00807 -0.01728 -0.00527 0.00826 204 4XZ 0.01466 0.00131 0.00903 0.00279 0.00214 205 4YZ 0.00347 0.00639 -0.01134 0.02682 -0.01373 206 19 O 1S -0.00658 -0.00833 0.00339 0.00979 0.00423 207 2S 0.01597 0.00839 -0.05614 0.00468 -0.03169 208 2PX -0.15179 0.03815 -0.02173 -0.02077 0.00602 209 2PY -0.03043 -0.01841 0.06170 -0.00162 0.10324 210 2PZ -0.05006 0.01386 -0.00708 0.04793 0.04046 211 3S 0.11668 0.21826 0.07561 -0.16653 0.10341 212 3PX -0.28058 0.03230 -0.00699 -0.05248 0.09795 213 3PY -0.04742 -0.08662 -0.04857 0.11608 -0.05907 214 3PZ -0.12709 -0.03045 0.06202 -0.01253 0.00962 215 4XX -0.00255 -0.00626 -0.01752 0.01307 -0.01139 216 4YY -0.00522 0.00024 -0.00139 -0.00301 0.02975 217 4ZZ 0.00528 -0.00035 -0.01603 0.01956 -0.01506 218 4XY -0.02249 0.00037 0.00360 0.02895 -0.00534 219 4XZ 0.00292 0.00255 0.00364 -0.00316 0.00828 220 4YZ -0.00640 0.00525 -0.03345 0.00060 0.00141 221 20 H 1S -0.01096 0.01210 -0.06807 0.01159 0.05987 222 2S 0.10542 -0.01953 0.18754 -0.04457 0.00981 223 21 H 1S 0.02199 0.01146 -0.04624 -0.01996 0.00976 224 2S -0.13183 -0.04098 0.14052 0.03828 0.10644 225 22 H 1S 0.03047 0.08283 0.05229 -0.03827 -0.02020 226 2S 0.01254 -0.43471 -0.14001 0.09503 0.02720 227 23 H 1S 0.00705 -0.05714 0.14556 -0.04565 -0.08520 228 2S -0.23469 1.02834 0.15821 -0.15939 -0.18113 229 24 H 1S 0.02638 -0.03208 0.08775 0.13788 0.13686 230 2S 0.12595 0.03666 0.24631 0.03599 -0.10335 231 25 H 1S 0.01853 0.00075 -0.07860 -0.00273 0.12244 232 2S -0.05717 0.09920 0.09344 -0.13872 -0.08058 233 26 H 1S -0.02272 -0.09822 -0.01309 -0.13298 -0.25950 234 2S -0.10881 -0.59028 -0.20091 0.18845 0.25066 86 87 88 89 90 V V V V V Eigenvalues -- 0.51728 0.52670 0.54650 0.55563 0.57603 1 1 C 1S -0.00587 -0.00683 0.00430 0.00175 -0.00516 2 2S 0.16295 0.17757 -0.06576 -0.01836 0.06279 3 2PX -0.15157 0.13634 -0.18914 0.19716 -0.26482 4 2PY -0.38550 -0.39669 0.11443 0.06959 -0.14409 5 2PZ -0.28281 -0.26195 0.02302 0.02534 -0.08507 6 3S -0.35217 -0.36649 0.21534 0.00012 -0.05584 7 3PX 0.33983 -0.22841 0.42459 -0.50738 0.52321 8 3PY 0.47724 0.56641 -0.13974 -0.19900 0.31225 9 3PZ 0.44701 0.50358 -0.08807 0.09362 0.17514 10 4XX 0.02075 0.00569 0.01326 -0.00995 0.01021 11 4YY 0.00170 0.00372 -0.00239 0.00859 -0.01218 12 4ZZ -0.00982 0.00921 -0.01642 -0.00054 0.00636 13 4XY -0.01901 0.00443 -0.02584 0.02585 -0.03600 14 4XZ 0.02415 -0.00924 0.01207 -0.02022 0.01957 15 4YZ 0.00812 0.01107 0.00217 -0.00963 0.00807 16 2 C 1S 0.02796 0.02874 -0.02123 0.01947 0.02233 17 2S 0.18761 -0.19899 0.00757 0.01923 -0.15556 18 2PX -0.25406 0.07101 -0.02151 0.22602 0.06703 19 2PY -0.13627 0.10216 0.00160 0.13246 0.07809 20 2PZ -0.04398 -0.01630 0.01059 -0.10892 0.04504 21 3S 0.08744 0.51982 0.09645 -0.45389 0.29730 22 3PX 0.03822 -0.10534 -0.01814 -0.08621 -0.18908 23 3PY 0.32153 0.23894 -0.37364 0.21644 -0.00640 24 3PZ -0.05008 -0.20064 -0.03768 -0.04429 -0.11555 25 4XX -0.04140 -0.02210 0.01021 -0.01153 -0.01424 26 4YY 0.06947 0.05384 -0.02580 0.00899 0.01474 27 4ZZ 0.05517 -0.01624 -0.00139 0.02702 0.01179 28 4XY -0.01127 -0.01748 0.01716 -0.00889 -0.00537 29 4XZ -0.01386 -0.01144 0.03153 -0.00840 0.03522 30 4YZ 0.03393 0.05684 0.01594 -0.02013 0.02269 31 3 C 1S 0.00256 -0.01734 0.01216 -0.02733 -0.00953 32 2S 0.25998 -0.12377 0.01464 -0.06467 -0.11387 33 2PX -0.39959 -0.00263 0.15061 -0.11459 0.04247 34 2PY -0.01727 0.12252 -0.15670 0.04461 0.12959 35 2PZ -0.00744 0.12218 -0.00495 -0.09692 0.03376 36 3S -0.37873 0.27526 -0.20449 0.49996 0.27023 37 3PX 0.40550 -0.09254 0.00756 -0.04760 0.14918 38 3PY 0.21235 0.14200 0.05252 0.30792 0.01476 39 3PZ 0.18301 -0.15389 -0.01032 -0.07351 -0.10952 40 4XX -0.01146 0.00891 -0.01613 0.01742 0.00653 41 4YY 0.00675 -0.07571 0.02368 -0.01575 -0.03320 42 4ZZ 0.05017 0.01921 0.01990 -0.03954 -0.00262 43 4XY -0.01950 0.02439 0.00131 0.02343 0.03386 44 4XZ 0.01475 0.00856 0.02312 -0.00465 0.02627 45 4YZ -0.00791 -0.02943 0.01118 0.01272 0.01126 46 4 C 1S -0.01589 0.00813 0.02240 0.00030 -0.01799 47 2S -0.04500 -0.14497 0.02397 -0.01227 0.16558 48 2PX 0.06508 -0.06550 -0.07371 -0.26864 0.15455 49 2PY -0.03810 -0.21406 0.10081 -0.04300 0.05438 50 2PZ 0.15088 -0.07928 0.05478 -0.18593 -0.31953 51 3S 0.52784 0.54158 -0.68113 0.21491 -0.40888 52 3PX -0.32935 0.14839 0.02685 0.41106 -0.22187 53 3PY 0.42927 0.26315 -0.44857 -0.05730 -0.36172 54 3PZ -0.15245 0.05717 0.30469 0.33213 0.41328 55 4XX -0.01250 0.01315 -0.02162 0.02184 -0.00685 56 4YY 0.00846 0.02084 0.00634 -0.01530 0.02666 57 4ZZ -0.00913 -0.03303 0.01940 0.00020 -0.01793 58 4XY -0.01233 -0.00780 -0.02997 0.00942 0.00243 59 4XZ -0.00276 0.02363 -0.00597 -0.00972 -0.04907 60 4YZ -0.00271 -0.05025 0.00419 0.01408 -0.02246 61 5 C 1S -0.00063 0.00831 -0.02129 -0.01476 0.00438 62 2S 0.02120 -0.03769 -0.02030 0.10632 -0.03541 63 2PX 0.07986 -0.09798 0.14088 0.15388 0.11402 64 2PY 0.05270 -0.10071 0.00939 0.08940 -0.11926 65 2PZ 0.06451 -0.00061 0.07792 0.20539 0.14226 66 3S 0.08990 -0.37020 0.75079 -0.36544 0.36081 67 3PX 0.18173 0.07852 -0.25814 -0.17169 0.06382 68 3PY -0.25119 0.06410 -0.21458 -0.09892 0.48781 69 3PZ -0.09847 -0.24846 0.43611 -0.69062 -0.15652 70 4XX -0.00660 -0.01486 0.01105 -0.01011 0.04490 71 4YY 0.01213 -0.00248 0.01103 -0.00560 -0.03903 72 4ZZ -0.00198 0.00452 -0.02874 0.00330 0.01239 73 4XY -0.01000 -0.04160 0.00826 0.01903 0.01734 74 4XZ 0.00278 -0.00574 0.01796 -0.00486 -0.03174 75 4YZ -0.00122 0.03526 -0.01204 -0.00985 -0.02806 76 6 C 1S -0.01502 -0.00450 -0.01786 -0.01445 -0.00736 77 2S 0.02275 -0.04927 0.06291 -0.09051 0.08148 78 2PX 0.10296 -0.06521 0.07547 0.15029 0.07733 79 2PY 0.01732 -0.01399 0.10159 0.14642 0.12959 80 2PZ 0.05526 -0.08818 0.14724 -0.08773 0.06344 81 3S 0.50095 0.24368 0.02258 0.93765 0.09879 82 3PX -0.06891 -0.06195 -0.18552 -0.32442 0.15481 83 3PY 0.26677 0.15319 -0.08131 0.32088 -0.12930 84 3PZ 0.03772 0.24020 -0.29186 0.48804 0.11185 85 4XX -0.01270 -0.02867 -0.00325 0.02765 0.05897 86 4YY 0.00776 -0.01681 0.00558 -0.00124 -0.00980 87 4ZZ 0.00714 0.03834 -0.01242 -0.03512 -0.02943 88 4XY 0.00920 0.03342 0.00081 -0.00675 0.00373 89 4XZ 0.01011 -0.01100 0.01454 0.01046 -0.01099 90 4YZ -0.00756 -0.00327 -0.01698 0.00472 0.03064 91 7 C 1S -0.00025 0.02414 0.01606 0.00604 -0.01516 92 2S 0.01835 -0.06413 -0.04009 0.13219 0.18399 93 2PX -0.00361 -0.06127 -0.22349 0.15543 0.07709 94 2PY 0.22254 0.13076 -0.10596 -0.08027 -0.14622 95 2PZ 0.24533 0.00068 0.01443 0.11545 0.01954 96 3S -0.29524 -0.42140 -0.10353 -0.85016 -0.58971 97 3PX -0.11360 0.06987 0.20864 -0.39179 -0.08437 98 3PY -0.32723 0.08873 0.44541 0.38704 0.43293 99 3PZ -0.14933 -0.19380 -0.05422 0.01753 -0.13524 100 4XX -0.02187 -0.01413 -0.00434 -0.01984 0.00232 101 4YY 0.00484 0.04491 0.01298 -0.00575 -0.00083 102 4ZZ 0.00522 -0.03268 -0.00111 0.03143 -0.00051 103 4XY -0.00628 -0.00285 0.00697 -0.00769 -0.04648 104 4XZ 0.00191 0.01334 -0.02098 -0.00124 -0.02955 105 4YZ -0.02733 -0.03933 -0.00746 0.01764 -0.02688 106 8 C 1S -0.00097 -0.01084 0.00255 -0.01638 0.01310 107 2S 0.02457 -0.01340 -0.10655 0.02499 -0.16494 108 2PX -0.01148 0.04529 -0.17666 -0.17215 -0.29974 109 2PY -0.11322 0.24543 0.28622 0.02125 -0.29315 110 2PZ 0.17168 -0.15784 -0.20276 0.05944 -0.21332 111 3S -0.04786 0.05264 0.02288 0.08403 0.27244 112 3PX 0.16369 0.17741 0.26680 0.49361 0.56845 113 3PY 0.16980 -0.28933 -0.41096 0.00866 0.35435 114 3PZ -0.20934 0.32719 0.30519 0.03863 0.28244 115 4XX 0.02375 -0.00894 0.02175 0.02937 -0.03242 116 4YY 0.01012 -0.05467 -0.04784 -0.00664 -0.00345 117 4ZZ -0.03400 0.05305 0.00293 -0.02612 0.02283 118 4XY -0.05051 0.00346 0.01837 0.00112 0.01031 119 4XZ -0.00927 0.00034 -0.02464 -0.03489 -0.01527 120 4YZ -0.01423 0.02053 0.04925 0.02368 0.00865 121 9 C 1S 0.00505 0.00264 -0.01458 0.01367 0.01067 122 2S 0.01807 -0.02083 -0.05182 -0.11324 -0.14114 123 2PX -0.05227 0.19557 -0.08295 -0.10344 -0.35501 124 2PY 0.16200 -0.26187 -0.33541 -0.14133 -0.06694 125 2PZ 0.04777 0.04565 0.10785 0.04111 -0.34071 126 3S -0.22952 -0.20728 0.06167 0.23491 0.16856 127 3PX -0.02409 -0.35417 0.34905 -0.01083 0.43797 128 3PY -0.27571 0.22684 0.69591 0.14162 0.22566 129 3PZ -0.10077 -0.08681 -0.08608 -0.09748 0.39284 130 4XX -0.00177 -0.01412 0.02921 0.03061 -0.02074 131 4YY 0.01749 -0.01193 -0.07229 -0.04016 -0.01054 132 4ZZ -0.02126 0.01457 0.01866 0.00640 0.01624 133 4XY 0.02514 0.01272 0.01169 0.00233 -0.02472 134 4XZ -0.02566 0.00337 -0.03792 0.01660 0.00395 135 4YZ -0.04842 0.06068 0.02890 -0.02137 0.02018 136 10 H 1S -0.12699 0.20362 0.04619 -0.10865 0.17540 137 2S 0.09946 -0.08999 0.06878 0.05571 0.06128 138 11 H 1S 0.17052 -0.06742 0.17850 0.06006 -0.05600 139 2S -0.05754 0.00767 0.03512 -0.03546 0.11139 140 12 H 1S 0.21301 0.00212 0.13347 0.10603 0.01078 141 2S 0.00533 0.07190 0.01609 -0.00988 0.17199 142 13 H 1S -0.12841 0.19270 0.05602 -0.09676 0.14554 143 2S 0.03868 -0.06673 0.02116 0.07832 -0.02085 144 14 H 1S 0.05890 0.24264 0.08397 -0.03910 0.00155 145 2S 0.06619 -0.17788 -0.16321 0.00798 -0.21356 146 15 C 1S 0.01498 0.00021 0.02989 0.01968 0.01342 147 2S -0.09963 0.00031 -0.31739 -0.15861 0.16092 148 2PX -0.10958 -0.10421 0.00635 -0.32859 0.02070 149 2PY 0.06050 0.00693 0.02051 0.10567 -0.05640 150 2PZ -0.03812 -0.01534 0.05483 0.23377 -0.00838 151 3S 0.07874 -0.01993 0.43212 0.15876 -0.30778 152 3PX 0.51760 0.39303 0.14914 1.07914 0.00709 153 3PY 0.08427 -0.10796 -0.20914 -0.07611 0.74521 154 3PZ 0.20262 0.03202 0.04922 -0.08595 0.01112 155 4XX 0.00278 0.00176 -0.00612 -0.00582 0.01547 156 4YY 0.01563 -0.00146 0.02998 0.02370 0.02513 157 4ZZ -0.00108 0.00907 -0.02806 -0.00214 -0.00319 158 4XY -0.00619 -0.01108 0.00145 -0.01527 0.01887 159 4XZ 0.01342 -0.00790 0.01772 0.03177 0.01592 160 4YZ -0.00892 -0.01163 -0.01339 -0.00677 0.01602 161 16 O 1S 0.00007 0.00565 0.01151 0.00213 -0.01585 162 2S 0.02041 0.01251 -0.00914 0.01454 0.02829 163 2PX -0.09686 -0.00938 -0.17560 -0.13905 0.04016 164 2PY -0.05651 -0.01502 -0.02260 -0.05285 -0.02088 165 2PZ -0.05655 0.00552 0.00937 -0.02680 -0.03857 166 3S -0.30170 -0.20020 -0.64915 -0.34717 0.59140 167 3PX 0.01441 0.09874 0.10003 0.10447 -0.21340 168 3PY -0.06163 -0.06370 0.16629 -0.18669 -0.14168 169 3PZ 0.02723 0.08065 0.02341 0.07803 -0.07555 170 4XX -0.00419 0.00504 0.00853 -0.00937 -0.00786 171 4YY -0.02084 0.00468 -0.05976 -0.00924 0.03050 172 4ZZ 0.00969 0.00791 0.01625 -0.00458 -0.01044 173 4XY 0.00766 0.00937 -0.00130 0.01484 -0.00151 174 4XZ -0.01574 -0.01175 -0.01631 -0.02216 0.01768 175 4YZ 0.01914 0.01362 0.02177 0.03747 -0.02138 176 17 C 1S 0.01472 -0.00493 0.02876 0.03132 -0.00227 177 2S -0.12163 -0.03403 -0.27149 -0.27120 0.17743 178 2PX -0.01096 0.10495 -0.27851 0.27015 0.09213 179 2PY -0.07959 -0.06082 0.05730 -0.08429 -0.03626 180 2PZ 0.02876 -0.10830 0.28429 -0.19690 0.02366 181 3S 0.09218 0.11864 0.23571 0.59558 -0.30663 182 3PX 0.14126 -0.37371 0.84933 -0.43564 -0.03551 183 3PY 0.13408 0.04047 0.45714 -0.08736 -0.48330 184 3PZ 0.09152 -0.02815 -0.42841 0.40771 0.40155 185 4XX -0.00469 -0.00381 -0.01600 0.01896 0.01045 186 4YY 0.01391 0.00093 0.02816 0.00340 -0.01253 187 4ZZ -0.00285 -0.01076 -0.00557 -0.00980 0.01166 188 4XY 0.00312 -0.00493 0.00705 -0.00343 0.02062 189 4XZ 0.00319 -0.02238 0.02423 0.02717 0.00559 190 4YZ -0.00477 0.00371 -0.02285 -0.02980 0.01861 191 18 O 1S 0.00261 -0.00354 -0.00622 0.00227 0.01395 192 2S -0.00102 0.03896 -0.00120 -0.02702 -0.01712 193 2PX -0.01929 0.01983 -0.09726 0.03384 0.01226 194 2PY -0.00814 -0.00083 0.02877 0.03139 -0.06142 195 2PZ -0.01340 0.00044 0.00002 -0.10689 -0.00790 196 3S -0.07154 0.05192 0.08761 -0.16604 -0.30656 197 3PX -0.00180 0.03111 -0.15250 0.05690 0.10331 198 3PY -0.05385 0.05327 -0.07786 -0.08108 -0.04083 199 3PZ 0.02069 -0.02392 0.00961 0.05036 0.07590 200 4XX 0.00015 0.00592 0.01154 -0.01907 -0.00464 201 4YY -0.00225 0.00776 -0.00738 -0.02101 0.01389 202 4ZZ 0.00229 0.02279 -0.03313 -0.00494 0.00882 203 4XY 0.00112 -0.00092 0.00084 0.02776 -0.00795 204 4XZ -0.00031 0.00054 -0.00384 -0.02148 0.00132 205 4YZ 0.00770 -0.00892 0.02365 0.00957 -0.01073 206 19 O 1S 0.00522 -0.00038 -0.00784 0.00323 0.01049 207 2S -0.00967 0.02720 -0.00204 -0.01016 -0.01953 208 2PX -0.05276 -0.05049 0.01033 -0.10882 -0.01937 209 2PY -0.01159 0.01021 -0.07623 -0.02409 -0.02891 210 2PZ -0.01092 0.01849 -0.00631 0.03467 -0.03681 211 3S -0.12094 -0.00172 0.07494 -0.07909 -0.36580 212 3PX -0.07374 -0.04338 -0.07440 -0.13762 0.01749 213 3PY 0.07848 -0.00540 -0.00216 0.08163 0.12579 214 3PZ -0.04401 -0.00623 -0.01253 -0.04092 -0.01545 215 4XX 0.00196 0.01031 0.00366 0.00808 0.00017 216 4YY -0.01220 0.01115 -0.03907 -0.02440 -0.01646 217 4ZZ 0.00521 0.00787 -0.00257 0.00378 0.00343 218 4XY 0.00644 0.00778 -0.00446 0.01833 -0.00599 219 4XZ 0.00148 -0.00183 0.00120 0.00024 0.00170 220 4YZ 0.00467 0.00236 -0.00112 -0.01222 -0.00011 221 20 H 1S -0.02802 0.12789 -0.09020 -0.16541 -0.11759 222 2S -0.07851 -0.05471 -0.08700 0.14249 0.15487 223 21 H 1S -0.00529 0.18465 -0.14909 -0.07217 -0.06028 224 2S -0.14790 -0.11521 0.02761 -0.11748 0.17429 225 22 H 1S 0.03662 0.23672 0.08733 -0.09060 0.01025 226 2S 0.11242 -0.15374 -0.14253 -0.07079 -0.23558 227 23 H 1S 0.15299 0.13058 0.02893 -0.20114 -0.05322 228 2S -0.11484 -0.09393 0.00491 0.12617 0.00872 229 24 H 1S -0.10788 -0.02842 -0.08356 0.16425 -0.17321 230 2S -0.03708 0.05478 -0.07623 0.19403 -0.10100 231 25 H 1S 0.13456 -0.07948 0.14267 -0.13227 0.08855 232 2S 0.10598 -0.00420 0.05285 -0.10562 0.05616 233 26 H 1S -0.08305 -0.04378 -0.04051 -0.02635 -0.00978 234 2S -0.00091 -0.07754 0.04425 -0.11829 -0.04554 91 92 93 94 95 V V V V V Eigenvalues -- 0.57954 0.59131 0.60011 0.60956 0.61972 1 1 C 1S -0.00133 -0.00503 -0.00742 -0.00930 0.00265 2 2S 0.00880 0.05372 0.08048 0.08829 -0.00841 3 2PX 0.37465 0.20745 0.06157 0.08304 -0.01674 4 2PY 0.05522 0.02095 -0.17190 -0.02333 -0.05431 5 2PZ -0.01305 -0.12059 0.13185 -0.17638 -0.06042 6 3S 0.14689 -0.11554 -0.21055 -0.29473 0.10594 7 3PX -0.77673 -0.31705 -0.09414 -0.10540 0.10966 8 3PY -0.02513 -0.09785 0.37560 0.02252 -0.21851 9 3PZ -0.11809 0.33560 -0.44890 0.58775 0.10111 10 4XX -0.02341 0.01050 -0.02582 0.01166 0.00734 11 4YY 0.01912 0.00146 -0.00587 -0.00994 -0.01861 12 4ZZ 0.00801 -0.00958 0.03137 -0.00102 0.01324 13 4XY 0.03363 0.01032 -0.00577 0.01287 0.01110 14 4XZ -0.02921 -0.01528 0.00304 0.00015 -0.00180 15 4YZ 0.00434 -0.00216 -0.02048 0.00442 0.00636 16 2 C 1S -0.01799 0.02464 0.02593 0.03648 -0.01242 17 2S -0.02624 -0.08397 -0.01042 -0.13454 0.06665 18 2PX -0.05191 -0.11243 0.10675 -0.15810 0.03678 19 2PY -0.00473 0.01284 -0.13248 -0.01243 -0.01369 20 2PZ 0.03945 -0.00517 0.15533 -0.01553 -0.07342 21 3S 0.23698 0.20068 0.44197 -0.02190 0.22607 22 3PX 0.41306 0.13081 -0.02408 0.05450 -0.14186 23 3PY -0.37378 0.35338 -0.07704 0.85921 -0.07794 24 3PZ 0.13590 -0.29400 0.34451 -0.35699 -0.53660 25 4XX 0.02428 -0.02855 -0.02584 -0.02550 -0.00397 26 4YY -0.00792 0.01931 0.00418 0.02225 0.02390 27 4ZZ -0.03365 0.02686 0.05465 0.02026 -0.01472 28 4XY -0.01417 -0.01511 -0.00882 -0.02518 -0.00248 29 4XZ -0.03274 0.01008 0.00288 -0.00278 0.00529 30 4YZ 0.02926 -0.02388 -0.00937 -0.02224 -0.02267 31 3 C 1S 0.02064 -0.02431 0.02500 -0.03138 0.03036 32 2S -0.01836 0.03660 -0.00941 0.05132 -0.04613 33 2PX 0.21303 0.18468 0.03417 0.24042 -0.10695 34 2PY -0.05599 0.18168 0.26082 0.26530 0.24492 35 2PZ 0.09754 -0.11299 0.11687 -0.08958 0.07015 36 3S -0.52200 0.20917 -0.01253 0.73731 0.06882 37 3PX -0.32779 -0.33911 0.05679 -0.42627 0.21927 38 3PY -0.15187 0.00331 -0.76539 0.17018 -0.08457 39 3PZ 0.09376 0.13611 -0.23799 -0.19352 0.37292 40 4XX -0.01085 0.03245 -0.02222 0.02178 -0.02071 41 4YY -0.01304 -0.02696 0.03004 -0.01728 -0.00003 42 4ZZ 0.04283 -0.03511 0.01453 -0.02923 0.03546 43 4XY -0.01015 -0.00202 -0.01503 0.00937 0.00094 44 4XZ -0.03679 -0.03153 -0.01065 -0.00158 0.00720 45 4YZ -0.02228 -0.00348 0.02811 0.00889 0.02417 46 4 C 1S -0.00682 0.00057 -0.02881 -0.00005 -0.03114 47 2S 0.07623 0.03857 0.22690 0.05476 0.30096 48 2PX 0.15301 0.26638 -0.02899 -0.08168 0.00300 49 2PY 0.03683 0.00662 0.19848 -0.05390 0.27041 50 2PZ 0.00894 -0.28280 0.19375 -0.23112 -0.01257 51 3S -0.33742 -0.19833 -0.68482 -0.30931 -1.00201 52 3PX -0.21812 -0.37382 -0.05755 0.34348 -0.11380 53 3PY -0.00336 -0.04075 -0.31877 -0.16914 -0.33249 54 3PZ 0.17157 0.45289 -0.54022 0.45594 0.51180 55 4XX -0.04544 0.00816 -0.00162 0.01917 -0.01928 56 4YY 0.05020 -0.00693 -0.00959 -0.01837 0.00906 57 4ZZ -0.00682 -0.00045 0.00510 -0.00124 -0.00420 58 4XY 0.00200 0.01544 -0.01457 0.02056 -0.01630 59 4XZ 0.01341 0.01772 0.02705 -0.02100 -0.01644 60 4YZ -0.01817 0.01821 -0.00835 0.01001 -0.00679 61 5 C 1S -0.00802 0.01715 0.00807 -0.00867 0.03506 62 2S -0.07025 -0.30407 -0.11676 0.03396 -0.22152 63 2PX 0.31692 0.13993 -0.02915 -0.13903 0.17597 64 2PY -0.07477 -0.31603 0.27537 -0.01163 -0.07792 65 2PZ -0.03017 0.06696 -0.34046 -0.09319 -0.01618 66 3S 0.65997 1.09454 0.66036 0.13812 1.12896 67 3PX -0.13811 -0.34983 0.23096 0.19053 -0.07012 68 3PY 0.16570 0.69787 -0.32428 0.28634 -0.30597 69 3PZ 0.44997 0.06449 0.66350 0.09437 0.50931 70 4XX 0.02000 -0.01189 -0.00189 0.01182 0.04819 71 4YY -0.03550 0.00418 0.02947 -0.00160 0.01115 72 4ZZ 0.00395 -0.00492 -0.02461 -0.00804 -0.02933 73 4XY -0.00423 -0.01077 0.01855 0.03015 0.02844 74 4XZ -0.00305 -0.02023 0.01655 -0.01012 0.01302 75 4YZ 0.02210 -0.03843 -0.00016 -0.01068 -0.00685 76 6 C 1S -0.00081 -0.02188 0.02038 0.00245 -0.03057 77 2S -0.05447 0.27730 -0.20608 -0.03104 0.17463 78 2PX 0.26220 0.01459 0.24563 0.06415 -0.15368 79 2PY 0.17264 -0.27987 -0.30793 0.16450 -0.20606 80 2PZ -0.02099 0.18137 -0.07334 0.06989 0.09905 81 3S 0.28458 -1.07515 1.21163 -0.15801 -0.76636 82 3PX -0.08184 -0.01686 -0.38328 -0.16814 0.41813 83 3PY -0.36677 0.46353 0.75430 -0.10626 -0.27825 84 3PZ -0.01240 -0.62297 0.25426 -0.25743 -0.06770 85 4XX -0.00907 -0.00108 0.03484 -0.02076 -0.03661 86 4YY -0.02089 -0.02404 -0.00041 0.01488 0.00146 87 4ZZ 0.01894 0.01919 -0.01944 -0.00703 0.01364 88 4XY 0.00864 0.00889 -0.00373 -0.00045 -0.00744 89 4XZ -0.03741 0.03644 0.04152 0.00656 -0.00614 90 4YZ 0.02151 0.02709 -0.02972 0.02157 0.00757 91 7 C 1S -0.00678 0.00175 -0.03789 0.00053 0.01704 92 2S -0.00599 -0.00290 0.28492 0.03011 -0.18036 93 2PX 0.07549 -0.33449 0.06199 0.02460 -0.11365 94 2PY -0.06040 0.05862 -0.13094 0.06081 0.15235 95 2PZ -0.25052 0.28681 0.15355 0.26951 -0.08515 96 3S 0.12465 -0.00059 -0.73778 -0.07000 0.58550 97 3PX -0.24571 0.56274 -0.26329 -0.03232 0.29620 98 3PY 0.19844 -0.22184 0.42063 -0.46545 -0.57211 99 3PZ 0.31070 -0.39693 0.01182 -0.37820 -0.40131 100 4XX -0.01146 0.01784 -0.04018 0.01359 0.02015 101 4YY 0.01871 -0.00699 0.00133 0.00217 0.00607 102 4ZZ -0.01130 -0.00619 0.02112 -0.00846 -0.01792 103 4XY -0.02101 0.01450 0.01235 0.02791 0.01338 104 4XZ 0.03351 -0.00281 -0.00108 0.00890 0.00262 105 4YZ -0.03239 0.02481 0.00564 0.01873 0.01026 106 8 C 1S 0.01102 0.00330 0.00705 -0.01838 -0.01034 107 2S -0.06511 -0.04929 -0.07224 0.19904 0.17725 108 2PX -0.11473 0.06079 -0.17965 0.15362 0.21939 109 2PY -0.07352 0.17652 0.00407 -0.12217 -0.05440 110 2PZ 0.03832 0.02998 -0.15379 0.17011 0.13286 111 3S 0.16782 0.27228 0.23918 -0.71458 -0.71369 112 3PX 0.03624 -0.08837 0.50526 -0.54569 -0.76751 113 3PY 0.01296 -0.24970 -0.11429 0.28863 0.05842 114 3PZ -0.08518 0.01405 0.35116 -0.50292 -0.33277 115 4XX 0.02315 0.00294 -0.00266 0.02248 -0.00742 116 4YY 0.00682 0.02567 -0.00011 -0.01097 -0.00870 117 4ZZ -0.02351 -0.02643 0.00847 -0.01127 0.01245 118 4XY -0.01469 0.00670 0.02379 0.01287 0.01234 119 4XZ 0.00812 0.00542 -0.01007 -0.01062 -0.00423 120 4YZ -0.00863 -0.00321 0.00342 0.01078 0.01184 121 9 C 1S 0.00241 -0.01095 -0.00212 0.01131 0.01263 122 2S -0.00797 0.11698 0.08060 -0.17019 -0.18359 123 2PX -0.16340 -0.00797 -0.00820 -0.02733 -0.22640 124 2PY 0.09427 0.12840 0.01256 -0.25386 -0.26463 125 2PZ 0.01839 0.04554 -0.07850 0.06727 -0.09004 126 3S 0.03337 -0.19621 -0.41383 0.81649 0.62427 127 3PX 0.32940 -0.00561 -0.13605 0.25409 0.74292 128 3PY -0.24412 -0.29627 -0.03631 0.71040 0.72242 129 3PZ -0.04673 -0.06169 0.08545 -0.00745 0.17254 130 4XX 0.00937 0.01633 0.00714 -0.01613 -0.00376 131 4YY 0.00584 -0.01214 -0.01737 0.00468 0.00423 132 4ZZ -0.00602 0.00754 0.01507 0.01614 0.00074 133 4XY 0.01965 0.00281 -0.01210 -0.02022 -0.00361 134 4XZ -0.02227 0.00456 0.00765 0.03039 0.00004 135 4YZ -0.01731 -0.00479 0.02480 -0.01294 0.00132 136 10 H 1S -0.06467 -0.06372 0.05341 0.08994 0.09482 137 2S -0.05979 -0.03320 -0.02012 0.11981 0.10782 138 11 H 1S 0.10687 -0.09277 -0.02768 -0.07554 0.07405 139 2S -0.04223 -0.11066 0.01821 0.17823 0.22666 140 12 H 1S 0.06244 0.03850 0.03301 -0.03078 -0.07097 141 2S -0.06959 0.03354 0.14875 -0.17058 -0.13574 142 13 H 1S -0.05427 -0.12187 0.07930 -0.18820 0.00045 143 2S 0.04974 0.01968 0.09036 -0.13737 -0.08197 144 14 H 1S 0.13193 -0.10932 -0.15974 -0.05615 0.01688 145 2S -0.23168 0.15803 -0.11755 0.26433 0.11168 146 15 C 1S 0.00774 0.04135 0.01460 -0.01899 -0.02384 147 2S 0.02827 -0.18351 -0.05678 0.03333 0.04505 148 2PX 0.09329 0.06386 -0.13771 0.05710 0.11426 149 2PY 0.22564 -0.26857 -0.32304 0.12598 0.26637 150 2PZ -0.32301 0.05126 -0.19374 -0.40403 0.22733 151 3S 0.31471 0.07069 -0.49688 0.37647 -0.05073 152 3PX -0.17216 -0.10953 0.75388 0.07288 -0.72738 153 3PY 0.45487 0.42116 0.15175 -0.37440 -0.21837 154 3PZ 0.30009 -0.11511 0.48386 0.75541 -0.61823 155 4XX 0.03798 -0.01529 -0.03676 0.03681 0.00547 156 4YY -0.00945 0.08745 0.06753 -0.02737 -0.05418 157 4ZZ 0.01371 -0.03433 -0.01160 0.00472 0.00737 158 4XY -0.00785 0.02541 0.00161 0.00512 0.00414 159 4XZ 0.01719 -0.01445 -0.00504 0.00710 -0.01760 160 4YZ -0.00572 -0.01526 -0.02007 0.00306 0.00466 161 16 O 1S -0.00776 0.00371 0.00759 0.00194 0.00032 162 2S 0.07623 -0.01541 -0.12152 -0.02850 -0.04269 163 2PX -0.16933 -0.03417 -0.00441 -0.00143 0.01752 164 2PY -0.09581 -0.02005 -0.04264 -0.03447 0.03866 165 2PZ -0.15743 -0.00170 -0.07041 0.01671 -0.02015 166 3S -0.14431 -0.15332 -0.13553 -0.00100 0.11408 167 3PX -0.06797 0.04606 -0.01075 0.05103 -0.12066 168 3PY 0.11293 0.11173 -0.09384 -0.11553 0.33144 169 3PZ -0.10669 -0.04773 0.01296 0.02492 -0.17095 170 4XX -0.00389 0.00707 -0.00116 -0.01994 0.00851 171 4YY -0.01407 -0.03653 -0.06094 0.00381 -0.01900 172 4ZZ 0.02479 0.01130 -0.04147 -0.00779 -0.01994 173 4XY -0.01053 -0.01908 0.03081 0.04578 -0.01458 174 4XZ -0.00947 0.01245 0.00993 -0.01292 0.01970 175 4YZ 0.00706 0.00550 0.01987 0.00910 0.00902 176 17 C 1S 0.01740 -0.03019 0.00058 0.03184 0.03278 177 2S 0.04747 -0.00051 -0.01646 -0.16940 -0.05871 178 2PX -0.12096 0.03708 -0.12702 -0.17312 -0.26662 179 2PY -0.22494 -0.27003 -0.00488 0.37632 0.07138 180 2PZ 0.00918 0.05470 -0.23088 0.04979 -0.50824 181 3S 0.07355 0.26028 -0.57681 -0.25634 -0.37919 182 3PX 0.82193 -0.01571 0.35676 0.21671 0.91379 183 3PY 0.11208 0.60553 0.30062 -0.75525 0.53101 184 3PZ 0.44354 -0.16303 0.20529 -0.03239 0.73337 185 4XX 0.00556 -0.02083 -0.02328 -0.03111 -0.01254 186 4YY 0.04626 0.00194 0.01932 0.00839 0.03146 187 4ZZ 0.00664 -0.01580 0.00217 0.01204 0.02487 188 4XY 0.02178 0.03852 -0.03574 -0.03653 -0.03115 189 4XZ 0.01541 -0.02902 0.00220 0.01814 0.03727 190 4YZ -0.01065 0.03199 -0.02398 -0.04562 -0.05330 191 18 O 1S 0.02113 0.00469 -0.00995 -0.01221 -0.02087 192 2S -0.01661 0.00205 -0.04461 0.05380 0.04984 193 2PX -0.11925 -0.00170 -0.00872 -0.02521 -0.09959 194 2PY -0.05967 -0.13581 0.05339 0.19670 0.03185 195 2PZ 0.01507 0.02951 -0.01568 -0.04538 -0.18566 196 3S -0.48695 0.14617 0.23505 -0.19117 -0.04070 197 3PX 0.07361 -0.01329 -0.10034 -0.01934 -0.18850 198 3PY -0.22021 -0.01712 0.02647 0.04728 -0.01630 199 3PZ 0.12455 -0.01146 -0.09925 0.00168 -0.11111 200 4XX 0.01331 0.00523 -0.01164 0.01686 0.00733 201 4YY -0.00364 0.01347 -0.04104 -0.00586 -0.04326 202 4ZZ 0.01025 0.02386 -0.01884 -0.02572 -0.01089 203 4XY 0.00518 -0.02420 0.01851 0.02053 0.03833 204 4XZ 0.00345 0.01860 0.00277 -0.02653 -0.02117 205 4YZ 0.01201 -0.03049 0.02039 0.04060 0.04934 206 19 O 1S 0.02755 -0.00860 -0.01615 0.00560 0.01029 207 2S -0.04956 -0.00691 -0.03073 -0.05255 -0.05011 208 2PX -0.05463 0.05577 -0.01081 -0.03496 0.06511 209 2PY 0.06371 -0.16118 -0.10512 0.08163 0.10555 210 2PZ -0.05570 0.07267 -0.00567 -0.12777 0.08133 211 3S -0.46167 -0.13296 0.22131 0.16595 0.09491 212 3PX 0.08201 -0.02017 -0.14336 -0.02919 0.11482 213 3PY 0.27439 0.00969 -0.14257 0.01707 0.04217 214 3PZ -0.05025 -0.01447 -0.05245 -0.05805 0.05903 215 4XX -0.00157 0.01449 0.00069 -0.02153 -0.02120 216 4YY 0.02178 -0.08689 -0.07407 0.02495 0.03983 217 4ZZ 0.00068 0.00360 -0.01542 -0.02178 -0.01353 218 4XY -0.00868 -0.01131 0.00781 -0.00661 -0.00193 219 4XZ 0.00083 0.00674 0.00737 0.00172 -0.00142 220 4YZ 0.01493 0.01160 0.02378 0.01522 -0.01997 221 20 H 1S 0.13465 -0.10627 0.06256 0.02804 0.00503 222 2S -0.08167 -0.24682 0.11574 -0.05790 -0.03862 223 21 H 1S 0.04865 0.07550 0.08218 -0.11895 0.01257 224 2S 0.11317 0.23154 0.05310 0.10460 0.06210 225 22 H 1S 0.14106 -0.04020 -0.10048 -0.11296 -0.05592 226 2S -0.12840 0.06789 0.02831 -0.05499 -0.09684 227 23 H 1S 0.15821 -0.16517 0.06508 -0.14468 0.06260 228 2S -0.15499 0.02361 0.06949 0.15732 -0.34415 229 24 H 1S 0.10326 0.04180 -0.07971 -0.01031 0.05905 230 2S 0.05519 0.07061 -0.06943 0.04473 0.07571 231 25 H 1S -0.20973 0.00584 -0.07277 0.00140 0.02734 232 2S -0.16255 -0.00282 -0.09186 0.07659 0.12397 233 26 H 1S 0.02438 -0.06323 0.15829 -0.06265 0.05827 234 2S 0.05686 -0.11404 0.22136 -0.23968 -0.08898 96 97 98 99 100 V V V V V Eigenvalues -- 0.63455 0.64456 0.64751 0.65999 0.67971 1 1 C 1S -0.01045 -0.00491 -0.00885 -0.00334 -0.01030 2 2S 0.06023 0.06887 0.10674 -0.00799 0.09549 3 2PX 0.17822 -0.07574 0.25881 0.05272 -0.06208 4 2PY -0.15868 0.11174 0.05711 -0.09655 -0.09117 5 2PZ -0.03630 -0.20087 -0.20516 -0.01194 -0.17069 6 3S -0.10024 -0.30501 -0.23948 0.00606 -0.36174 7 3PX -0.40406 0.27733 -0.49053 -0.04579 0.06500 8 3PY 0.33580 -0.11986 -0.17311 0.14963 0.06574 9 3PZ 0.06442 0.70901 0.50925 -0.15306 0.49059 10 4XX -0.00745 0.02971 0.01316 0.00503 0.01625 11 4YY 0.00425 -0.01690 -0.00871 -0.00827 -0.02755 12 4ZZ -0.00122 -0.01081 0.00279 -0.00210 0.01114 13 4XY 0.00631 -0.00740 0.01813 -0.00368 0.01517 14 4XZ -0.01946 0.00178 -0.03172 0.00011 0.00280 15 4YZ -0.01823 0.01440 0.00256 -0.00802 -0.00620 16 2 C 1S 0.02513 0.00165 -0.00208 -0.01460 0.00974 17 2S -0.13960 0.09815 -0.12868 0.18882 -0.13613 18 2PX 0.00049 0.25085 0.00788 -0.11577 0.17172 19 2PY -0.04651 -0.05492 -0.17550 -0.04051 -0.15807 20 2PZ -0.04387 -0.01494 0.18946 -0.31899 0.03334 21 3S 0.22054 -0.09595 0.57855 -0.32421 0.56081 22 3PX -0.00434 -0.53694 0.00348 0.16385 -0.21748 23 3PY 0.11895 0.79668 0.53617 -0.17890 0.68790 24 3PZ 0.20950 -0.45061 -0.64342 0.73674 -0.36783 25 4XX -0.01537 -0.00054 -0.01126 0.00802 -0.01734 26 4YY 0.00374 0.01347 -0.00717 0.01581 -0.01131 27 4ZZ 0.02372 -0.00075 -0.00719 -0.00544 0.01270 28 4XY 0.00583 0.00098 0.01541 -0.00049 -0.00786 29 4XZ 0.00712 0.00751 0.00332 0.00900 0.01382 30 4YZ 0.02727 0.01407 0.01696 0.00417 -0.01044 31 3 C 1S -0.01394 -0.00970 0.02607 0.01778 0.00704 32 2S -0.08550 0.17597 0.01008 -0.22013 -0.02932 33 2PX -0.09712 0.07941 -0.06916 0.16427 0.01650 34 2PY -0.00276 -0.05122 0.07965 0.14609 0.21548 35 2PZ 0.03459 -0.09073 0.12638 0.13144 0.11656 36 3S 0.13623 0.52361 0.43912 0.22298 0.77260 37 3PX 0.06202 -0.11295 -0.10269 -0.17929 0.06706 38 3PY 0.08618 0.35464 -0.08414 -0.40890 -0.19389 39 3PZ -0.20690 -0.04185 -0.29606 -0.15860 -0.53080 40 4XX 0.00408 -0.01219 -0.03299 -0.01177 -0.02678 41 4YY -0.01058 0.03848 0.03487 -0.01709 0.04091 42 4ZZ -0.02557 0.00617 0.04281 0.00714 -0.00399 43 4XY 0.00168 -0.00987 -0.01569 -0.00321 -0.00395 44 4XZ 0.00438 0.00541 0.01142 -0.00599 0.00237 45 4YZ 0.00673 -0.01246 0.00914 0.01649 0.02617 46 4 C 1S -0.00054 0.01870 -0.00928 -0.02869 -0.00471 47 2S -0.09523 -0.16789 0.07885 0.15272 0.10366 48 2PX -0.05577 0.00693 -0.53243 -0.00436 0.10663 49 2PY -0.07158 -0.06852 0.09395 0.12718 0.29705 50 2PZ 0.13417 0.20119 0.20213 0.11326 0.23882 51 3S 0.51696 0.93925 -0.32287 -0.68731 -0.40354 52 3PX 0.04051 0.09642 1.24073 0.18851 -0.23676 53 3PY 0.27991 0.27328 -0.14335 -0.20883 -0.52414 54 3PZ -0.33922 -0.49966 -0.19059 -0.15040 -0.36998 55 4XX 0.03325 0.03048 0.00075 -0.00393 0.04190 56 4YY -0.03320 -0.02678 0.00255 0.00038 -0.04480 57 4ZZ -0.00025 0.01488 -0.01132 -0.01369 0.00183 58 4XY -0.00791 0.00972 0.00400 0.01242 0.01348 59 4XZ -0.00443 0.00807 -0.02760 -0.01540 0.00985 60 4YZ -0.00170 0.01401 -0.01334 -0.00897 0.01340 61 5 C 1S 0.00643 -0.01498 -0.01453 -0.00689 0.00432 62 2S -0.05110 0.14111 0.13384 0.07618 0.12799 63 2PX -0.19984 -0.08793 0.02126 0.09026 0.07733 64 2PY -0.13591 -0.11305 -0.07764 0.22252 0.11535 65 2PZ 0.03462 0.29658 0.17408 -0.15457 0.12254 66 3S -0.19820 -0.10328 -1.19725 -0.59118 -0.46608 67 3PX 0.34773 0.47925 -0.18282 -0.11719 -0.46237 68 3PY 0.02152 0.34266 0.02969 -0.38344 -0.52702 69 3PZ -0.16023 -0.39723 -0.58956 0.09167 -0.21613 70 4XX -0.02919 0.01118 -0.02126 0.01784 -0.01237 71 4YY 0.01933 -0.03891 -0.00921 -0.02577 -0.00523 72 4ZZ -0.00170 0.02474 0.00904 0.00000 0.03567 73 4XY 0.01331 0.02631 -0.01966 -0.00137 0.00866 74 4XZ 0.00119 0.05992 0.02156 -0.02002 -0.00797 75 4YZ -0.00644 0.00305 0.01552 -0.00139 -0.04655 76 6 C 1S -0.01136 -0.01253 0.00162 -0.00144 0.00096 77 2S 0.09818 0.09503 -0.05179 0.01401 0.09070 78 2PX 0.10819 -0.17127 -0.24952 -0.27246 -0.04772 79 2PY 0.03014 0.21988 0.13058 0.33675 0.04142 80 2PZ 0.05444 0.05958 -0.02918 0.01695 0.10694 81 3S -0.86626 0.11651 -0.37038 0.09553 -0.15085 82 3PX -0.47486 1.00468 0.76979 0.55191 0.05945 83 3PY -0.39786 -0.37415 -0.42661 -0.53386 -0.10560 84 3PZ -0.29508 0.24970 -0.10614 0.01841 -0.17249 85 4XX -0.02022 0.02661 -0.02267 -0.03408 0.00540 86 4YY 0.01033 0.01149 -0.00731 0.03209 0.04362 87 4ZZ 0.00109 -0.03053 0.01260 0.00135 -0.02954 88 4XY -0.00688 0.03166 -0.00329 0.01295 -0.04236 89 4XZ -0.02050 0.00390 0.00238 0.03739 -0.02092 90 4YZ -0.00642 0.03779 0.00408 -0.00032 0.01470 91 7 C 1S -0.00940 0.01406 -0.00543 0.03032 0.00669 92 2S 0.13774 0.00059 0.00199 -0.22289 0.03946 93 2PX -0.32302 0.04916 -0.30559 -0.22364 0.23840 94 2PY -0.25262 -0.02939 -0.03509 0.04335 0.00770 95 2PZ 0.09094 0.03073 0.04948 -0.09064 0.19733 96 3S -0.64979 -0.02736 -0.14988 1.21017 -0.21355 97 3PX 0.66006 0.34296 0.79844 0.48193 -0.33375 98 3PY 0.83381 -0.14557 -0.10207 -0.15972 -0.20894 99 3PZ -0.07061 -0.47891 -0.50732 0.25939 -0.62027 100 4XX 0.00553 0.04388 0.04103 -0.00011 0.05009 101 4YY -0.03240 -0.01694 -0.01009 -0.00673 -0.03619 102 4ZZ 0.01812 -0.00905 -0.04152 0.02880 -0.01045 103 4XY -0.02780 -0.01520 -0.00968 0.01528 0.01924 104 4XZ -0.00761 -0.00369 -0.02102 -0.00487 -0.00560 105 4YZ -0.01861 -0.00285 -0.02117 0.00224 0.01202 106 8 C 1S 0.02870 -0.00342 -0.00059 0.00824 -0.01642 107 2S -0.31190 -0.06491 0.00859 -0.08729 0.04760 108 2PX -0.32828 -0.00022 -0.02830 0.18708 0.06552 109 2PY 0.06748 0.14068 -0.35449 0.44594 0.15499 110 2PZ -0.27624 -0.10972 0.00434 0.00134 -0.10660 111 3S 1.29596 0.35640 0.02682 0.62576 -0.30373 112 3PX 0.98912 0.15401 -0.16257 -0.24739 -0.22415 113 3PY -0.16606 -0.19668 0.65751 -0.90262 -0.32103 114 3PZ 0.86880 0.43039 0.08213 0.07500 0.26278 115 4XX -0.00495 -0.03967 -0.01928 -0.00673 -0.03908 116 4YY 0.03956 0.01382 0.00739 0.03145 -0.00474 117 4ZZ -0.02208 0.01865 0.01068 -0.01961 0.03085 118 4XY 0.01399 0.00020 0.02657 -0.00574 0.01658 119 4XZ -0.00545 0.01057 0.01409 0.00530 -0.01840 120 4YZ -0.00800 -0.01412 0.02063 -0.03353 0.00800 121 9 C 1S -0.01775 -0.02122 0.02324 -0.00913 -0.01086 122 2S 0.20245 0.16345 -0.18554 0.07512 0.04583 123 2PX 0.03440 0.23583 -0.15783 -0.32271 0.14685 124 2PY 0.38339 0.18608 -0.09643 0.26195 -0.13367 125 2PZ -0.10654 0.11440 -0.07361 -0.34041 0.09353 126 3S -0.76702 -0.47468 0.84880 -0.40734 -0.28116 127 3PX -0.34845 -0.52294 0.45865 0.54747 -0.34940 128 3PY -1.04688 -0.62258 0.30682 -0.65981 0.10186 129 3PZ 0.09960 -0.24188 0.23356 0.72371 -0.24411 130 4XX 0.00366 -0.00517 0.01503 0.00241 -0.00071 131 4YY -0.02801 0.00763 0.00202 -0.02130 -0.01160 132 4ZZ 0.01707 -0.01560 -0.00370 0.01483 0.00530 133 4XY 0.00163 -0.00649 -0.01471 0.00572 -0.02465 134 4XZ 0.01067 0.00732 0.02013 0.00429 -0.00039 135 4YZ 0.01266 0.00848 -0.01510 0.02457 0.01879 136 10 H 1S -0.07517 -0.10655 0.02668 -0.02979 -0.07415 137 2S -0.18456 -0.20251 0.08031 -0.06493 -0.13020 138 11 H 1S -0.12241 -0.14284 0.12381 -0.11464 -0.14897 139 2S -0.15131 -0.08818 0.13756 -0.05895 0.00167 140 12 H 1S 0.14134 -0.12037 -0.10970 0.07934 -0.20397 141 2S 0.20648 0.09601 -0.03702 0.03267 0.00608 142 13 H 1S 0.05684 0.08126 0.05453 0.00689 0.00584 143 2S 0.30954 0.07037 0.01192 0.08390 -0.00134 144 14 H 1S -0.05337 0.04310 -0.06032 0.19718 -0.09568 145 2S -0.17095 0.13500 0.03143 0.11466 0.18990 146 15 C 1S -0.02527 0.01792 0.02864 0.00466 -0.01941 147 2S -0.04031 0.16357 -0.28622 -0.04812 0.11100 148 2PX 0.26595 -0.04707 0.14518 -0.15655 0.03205 149 2PY 0.44733 -0.29051 -0.28076 -0.11847 0.40569 150 2PZ 0.05876 -0.13275 -0.05568 -0.04255 -0.13713 151 3S 0.56642 -0.75583 0.01412 0.00954 0.18182 152 3PX -0.66281 0.14297 -0.32127 0.47155 -0.15549 153 3PY -0.98618 1.05277 0.47194 -0.08357 -0.62901 154 3PZ -0.22019 0.33741 0.05301 0.24270 0.27319 155 4XX 0.03994 0.00685 -0.02493 0.02697 0.01861 156 4YY -0.09065 0.05737 0.03200 -0.00654 -0.06234 157 4ZZ 0.01413 -0.01905 -0.02466 -0.01503 0.03706 158 4XY 0.01862 0.00215 -0.00803 -0.01238 -0.02666 159 4XZ -0.00069 0.01920 -0.02609 -0.00492 0.01642 160 4YZ 0.02789 0.00298 -0.00898 -0.01409 0.00987 161 16 O 1S 0.00145 -0.00118 0.00071 0.00166 0.00304 162 2S 0.02607 -0.11289 -0.01841 -0.00973 0.06154 163 2PX 0.04481 -0.02579 0.03027 -0.00899 -0.08322 164 2PY -0.00534 -0.03852 0.06537 -0.00911 -0.02459 165 2PZ 0.08569 -0.08997 0.04572 -0.00122 -0.06244 166 3S -0.15407 0.56531 0.07202 -0.01027 -0.63023 167 3PX 0.06039 -0.15138 0.05174 0.07414 0.21914 168 3PY 0.18834 -0.01573 0.00502 -0.20806 0.09746 169 3PZ -0.04079 -0.15878 -0.02191 0.07900 0.03051 170 4XX -0.00629 -0.01857 -0.00743 -0.01697 -0.02815 171 4YY 0.02424 -0.03787 -0.01602 0.00339 -0.00141 172 4ZZ 0.01345 -0.04403 0.01840 0.00533 0.04970 173 4XY -0.00402 0.01874 -0.01327 0.02388 -0.03301 174 4XZ -0.01555 0.05067 0.01705 -0.00562 -0.03300 175 4YZ 0.00865 0.01593 0.00148 -0.00220 0.01431 176 17 C 1S 0.02159 0.03094 -0.00414 0.00175 -0.02331 177 2S -0.27758 0.09030 -0.11814 0.03482 0.13939 178 2PX -0.11073 -0.25631 0.18089 0.19922 0.16531 179 2PY 0.18641 0.09883 -0.04214 0.00981 -0.39779 180 2PZ -0.13579 -0.41266 0.13603 0.01974 0.22673 181 3S 0.20856 -0.35338 0.54367 0.02166 0.53154 182 3PX 0.06471 0.67221 -0.46415 -0.42370 -0.39552 183 3PY -0.07907 -0.29862 0.19337 -0.33335 0.77367 184 3PZ 0.06123 1.04807 -0.41375 0.10887 -0.44753 185 4XX -0.03177 0.03120 0.03938 -0.00389 0.01693 186 4YY 0.00806 0.02894 -0.03409 -0.00612 0.00042 187 4ZZ -0.00123 0.01675 -0.01386 0.01648 -0.00380 188 4XY -0.02875 -0.01596 0.01801 0.00076 0.04796 189 4XZ -0.00719 0.04466 -0.00440 0.02146 -0.01879 190 4YZ -0.03362 -0.06721 0.01840 0.00542 0.04640 191 18 O 1S -0.01711 -0.00516 -0.00116 0.00947 0.01428 192 2S 0.11331 0.03116 -0.04909 -0.08679 -0.01661 193 2PX -0.02533 -0.14475 0.08255 0.07595 0.07324 194 2PY 0.11984 0.01544 -0.02170 0.03501 -0.15729 195 2PZ -0.07807 -0.16828 0.01399 0.00317 0.09199 196 3S -0.11338 -0.46809 0.27480 -0.01717 0.22712 197 3PX -0.05468 0.02101 -0.05703 0.08894 0.02393 198 3PY 0.05739 -0.07199 0.01333 -0.04777 -0.06955 199 3PZ -0.05675 0.01357 -0.00407 0.05497 0.04245 200 4XX 0.02516 -0.00194 -0.01462 -0.02593 -0.00362 201 4YY 0.00018 -0.02661 0.00058 -0.01172 0.03017 202 4ZZ 0.01358 -0.01348 -0.01622 -0.02011 0.03132 203 4XY 0.01476 0.03902 -0.00624 0.00896 -0.03458 204 4XZ -0.01875 -0.02909 -0.00219 0.00057 0.03904 205 4YZ 0.03486 0.04728 -0.02718 -0.00241 -0.05239 206 19 O 1S 0.00880 -0.00073 -0.01403 -0.01216 0.01302 207 2S -0.10852 -0.00434 0.06040 0.09139 0.01272 208 2PX 0.11744 -0.04929 0.08306 -0.07046 0.02472 209 2PY 0.17508 -0.10953 -0.15915 -0.02462 0.15538 210 2PZ 0.00517 -0.08768 -0.01702 -0.04664 -0.05676 211 3S 0.47139 -0.32205 -0.16440 0.02023 0.11828 212 3PX -0.00173 0.01406 -0.00779 -0.07253 0.01895 213 3PY -0.01148 0.03496 -0.07543 -0.12047 0.06628 214 3PZ 0.02228 -0.03202 0.02002 -0.00473 -0.01410 215 4XX -0.03442 0.00523 0.02462 0.02233 -0.01608 216 4YY 0.05605 -0.04974 -0.04986 0.01245 0.09621 217 4ZZ -0.04974 0.00463 0.02106 0.01693 -0.00123 218 4XY -0.01020 -0.01007 -0.01252 0.00336 0.00895 219 4XZ -0.00167 0.00572 -0.00525 -0.00723 0.00274 220 4YZ -0.02171 0.00807 0.01402 0.00174 -0.00441 221 20 H 1S -0.13123 -0.05990 -0.04035 0.05590 -0.15557 222 2S -0.07263 0.20654 -0.14045 0.02973 0.08151 223 21 H 1S -0.06442 -0.03284 -0.11572 -0.13181 -0.16092 224 2S -0.09161 0.05049 -0.13649 -0.02399 -0.03076 225 22 H 1S -0.09512 -0.00790 0.00414 -0.21143 -0.12374 226 2S 0.13406 0.18978 -0.07275 -0.06810 0.11930 227 23 H 1S -0.04276 0.03452 0.20218 -0.00866 0.04264 228 2S 0.16539 0.02037 -0.00650 -0.08559 0.19918 229 24 H 1S 0.00496 -0.04790 0.03240 -0.01560 0.02593 230 2S -0.01479 0.04766 0.18384 -0.05019 0.04458 231 25 H 1S -0.09828 0.06168 -0.07663 0.06609 -0.04376 232 2S -0.16590 0.15682 -0.03446 -0.05836 0.08797 233 26 H 1S -0.03401 -0.09402 -0.00018 -0.01353 0.01920 234 2S -0.00086 -0.27686 -0.15609 0.08306 -0.19048 101 102 103 104 105 V V V V V Eigenvalues -- 0.68623 0.70781 0.71721 0.72685 0.73365 1 1 C 1S -0.00034 -0.03649 -0.02180 0.00973 0.00384 2 2S 0.05357 0.10917 0.06660 -0.01098 -0.00287 3 2PX -0.04941 0.04231 0.15112 0.19590 -0.10812 4 2PY 0.28541 -0.36494 -0.20308 0.10877 -0.18465 5 2PZ -0.39588 -0.14214 0.03996 0.04258 0.20791 6 3S -0.38419 -0.19378 -0.19265 0.16088 0.22280 7 3PX 0.01231 -0.19240 -0.45563 -0.47857 0.38512 8 3PY -0.72439 1.03809 0.71581 -0.36872 0.31537 9 3PZ 1.46211 0.21511 -0.24965 -0.20037 -0.82082 10 4XX 0.04020 0.00115 -0.02774 -0.00841 -0.01889 11 4YY -0.04712 -0.00531 0.02179 0.03056 0.02758 12 4ZZ 0.00983 -0.02144 -0.00776 -0.00923 0.00242 13 4XY 0.03997 -0.00626 0.02181 0.02873 -0.01555 14 4XZ -0.00670 0.01776 -0.01152 -0.02548 0.02748 15 4YZ 0.04452 -0.03909 -0.03695 0.00203 -0.01389 16 2 C 1S 0.01358 0.00428 -0.00239 -0.01110 -0.01021 17 2S -0.19911 -0.32575 -0.02580 0.12369 -0.16995 18 2PX 0.00921 -0.09018 0.28096 -0.04730 0.07436 19 2PY -0.02813 -0.30893 -0.08842 -0.01034 0.11626 20 2PZ 0.17411 -0.39141 -0.34531 0.19594 0.11268 21 3S 0.08363 0.68666 -0.20257 0.16283 0.41918 22 3PX -0.20795 0.27198 -0.30704 0.12169 -0.13377 23 3PY 1.42596 0.24986 0.05781 -0.38144 -0.86788 24 3PZ -1.37499 1.03458 1.17232 -0.37325 0.08773 25 4XX 0.00718 0.01452 0.00075 0.00094 0.01075 26 4YY 0.00930 -0.01730 0.00788 -0.01685 -0.05207 27 4ZZ -0.04276 -0.02969 -0.02029 0.03096 0.02445 28 4XY -0.01177 -0.00860 0.00432 0.01456 0.00769 29 4XZ -0.01675 -0.01909 -0.00352 -0.00320 -0.03483 30 4YZ -0.01997 0.07494 0.03290 0.00680 0.00429 31 3 C 1S -0.01340 0.01002 0.01167 0.00978 0.00814 32 2S -0.04618 -0.22329 0.04472 -0.04765 -0.27093 33 2PX -0.29826 0.23709 -0.27526 -0.22871 -0.05676 34 2PY 0.26220 -0.13285 -0.24362 -0.15272 -0.06503 35 2PZ 0.08060 0.05292 -0.07967 0.02620 0.20877 36 3S 1.48868 -0.29213 -0.59125 0.24632 0.36923 37 3PX 0.25916 -0.37562 0.50386 0.73250 0.12268 38 3PY 0.38994 0.22890 0.47456 -0.17511 -0.36230 39 3PZ -0.58415 0.06512 0.23742 -0.12393 -0.68323 40 4XX 0.00339 0.00216 -0.01110 -0.02064 0.00572 41 4YY 0.00950 -0.02995 -0.00378 0.02349 -0.02727 42 4ZZ -0.00943 -0.00030 0.02538 0.01099 0.01196 43 4XY -0.00538 0.00224 0.02153 0.00596 -0.00813 44 4XZ -0.01662 -0.01889 0.03181 0.02737 -0.02791 45 4YZ 0.00077 -0.01973 -0.00725 0.00577 0.02541 46 4 C 1S -0.00424 -0.00600 -0.00072 0.01448 0.01391 47 2S 0.10103 0.02296 0.04135 -0.07261 -0.05710 48 2PX 0.19851 0.14544 0.02769 0.42712 -0.09827 49 2PY 0.05361 0.06879 0.06245 0.13858 0.26569 50 2PZ -0.07009 0.03217 -0.08161 0.16774 0.15752 51 3S -0.95703 0.28469 -0.05477 0.52195 -0.41784 52 3PX -0.73349 -0.63688 -0.14436 -1.06432 0.76442 53 3PY -0.50738 0.10106 -0.04047 -0.52110 -1.27245 54 3PZ 0.55449 0.21007 0.58190 -0.96773 -0.35618 55 4XX 0.00310 0.02231 -0.00051 0.02977 0.00215 56 4YY -0.01172 -0.02004 -0.01215 0.00957 0.02365 57 4ZZ -0.00583 0.01235 0.02149 -0.01832 -0.03537 58 4XY 0.00126 0.01705 -0.02122 0.01653 0.03177 59 4XZ 0.02913 0.01976 -0.03873 -0.06481 0.02221 60 4YZ -0.01706 0.02226 0.02147 -0.02249 -0.01095 61 5 C 1S -0.00073 -0.00559 -0.00231 -0.00647 -0.00666 62 2S -0.12642 -0.01349 0.03369 0.07708 -0.04303 63 2PX 0.21901 0.01267 0.03444 -0.39861 0.28599 64 2PY 0.00984 0.07959 -0.18425 -0.00715 -0.44233 65 2PZ -0.17319 -0.17164 0.12060 -0.01134 0.08701 66 3S 0.37591 -0.23316 0.65797 -0.22929 -0.24627 67 3PX -1.18762 0.06517 -0.58524 1.88658 -0.84941 68 3PY -0.12475 -0.71167 0.63736 -0.26016 1.63840 69 3PZ 0.27472 0.58266 -0.46854 0.38159 -0.64992 70 4XX -0.00809 0.01098 0.00858 0.05840 -0.04486 71 4YY -0.01015 -0.03098 0.03129 -0.03734 -0.01707 72 4ZZ 0.00373 -0.00147 -0.01092 -0.00950 0.04474 73 4XY 0.02375 0.03823 -0.00312 0.00370 -0.01106 74 4XZ -0.04542 -0.00234 -0.00506 -0.04638 -0.00998 75 4YZ 0.01773 -0.02237 -0.06589 -0.02508 0.02734 76 6 C 1S 0.00557 -0.01502 -0.00581 -0.00853 -0.00752 77 2S -0.19117 -0.11469 0.02049 -0.04815 0.03409 78 2PX -0.09573 -0.02885 -0.14996 0.12837 0.21398 79 2PY -0.07613 0.12003 -0.41479 0.26528 0.01873 80 2PZ -0.18482 -0.22681 0.17256 -0.10693 -0.13228 81 3S 0.71820 0.80895 0.16743 0.55336 -1.12661 82 3PX 0.53448 -0.23247 0.64974 -0.85221 -0.59954 83 3PY 0.33214 -0.83316 1.65795 -1.20870 0.25014 84 3PZ 0.57904 0.65153 -0.48146 0.54090 0.08342 85 4XX 0.03123 0.00281 0.03743 -0.00916 -0.01535 86 4YY -0.04429 0.01378 0.01019 0.01841 -0.04508 87 4ZZ 0.01018 -0.02933 -0.05054 -0.01019 0.02251 88 4XY -0.02291 -0.05564 0.00418 -0.00926 0.00819 89 4XZ -0.03570 -0.01040 0.01948 0.01577 0.00253 90 4YZ 0.00070 0.00731 0.00387 0.01060 0.05484 91 7 C 1S 0.01194 0.01578 -0.00036 0.00717 0.00243 92 2S 0.09762 -0.05917 -0.07530 -0.00008 -0.09418 93 2PX 0.30377 0.16846 0.08743 -0.02012 0.08314 94 2PY -0.13640 -0.02944 0.17295 -0.01489 0.13404 95 2PZ -0.07012 -0.19940 -0.20036 0.19607 0.20516 96 3S -0.98894 -0.01588 1.12465 -0.24273 0.26481 97 3PX -0.81715 -0.52491 -0.37777 -0.33901 -0.24334 98 3PY -0.16012 0.52795 -0.76419 0.40234 0.15384 99 3PZ -0.65009 0.43569 0.75109 -0.47958 -0.45708 100 4XX 0.03708 0.02385 0.01188 -0.00163 0.00732 101 4YY 0.02361 -0.04505 -0.02510 0.01019 -0.00645 102 4ZZ -0.05596 0.02778 0.03516 -0.00781 -0.00802 103 4XY -0.01343 0.00930 0.01657 0.03112 0.01764 104 4XZ 0.01728 0.00321 -0.01160 0.00731 0.04866 105 4YZ -0.00828 -0.02539 -0.00176 0.00519 -0.00283 106 8 C 1S 0.00460 -0.01931 -0.00960 0.00199 -0.01508 107 2S -0.05473 0.00499 0.12301 0.04293 -0.08326 108 2PX -0.10393 -0.01586 0.03415 0.03500 0.13493 109 2PY 0.27745 -0.16519 0.18184 0.14371 0.13070 110 2PZ -0.06718 -0.03482 0.00977 0.00027 0.04428 111 3S -0.06885 -0.06773 -0.52076 -0.43466 0.21364 112 3PX 0.21018 0.20234 -0.18066 -0.36465 -0.50353 113 3PY -0.81300 0.41806 -0.53779 -0.19765 -0.24381 114 3PZ 0.33210 0.15699 -0.19839 -0.23974 -0.31648 115 4XX -0.01958 -0.00924 -0.03836 0.02519 -0.03073 116 4YY 0.01549 0.01764 0.01612 -0.02157 0.01256 117 4ZZ 0.00296 -0.03170 0.01728 -0.00697 -0.00869 118 4XY -0.02159 -0.00283 -0.01084 0.00760 0.01593 119 4XZ -0.00539 -0.02064 -0.00558 -0.00222 0.01520 120 4YZ 0.02364 0.02628 0.01728 -0.00363 -0.03139 121 9 C 1S -0.00604 -0.00536 0.00061 -0.01634 -0.00968 122 2S 0.05706 0.01038 0.02132 0.05117 -0.13827 123 2PX -0.08904 0.10388 -0.11853 -0.03493 0.05576 124 2PY 0.13739 -0.17642 -0.04910 -0.19394 0.00749 125 2PZ 0.05359 0.23391 -0.13041 0.02352 -0.14009 126 3S -0.50100 -0.07028 -0.14349 -0.88092 0.49697 127 3PX 0.20166 -0.30976 0.49576 0.07114 -0.13465 128 3PY -0.46950 0.15998 0.22585 0.90345 -0.02095 129 3PZ -0.24560 -0.71290 0.31543 -0.19787 0.56452 130 4XX 0.02306 -0.01353 0.01783 -0.07611 0.00582 131 4YY -0.04177 -0.00606 -0.02354 0.00214 0.01019 132 4ZZ 0.00921 0.01580 0.00366 0.03637 -0.03689 133 4XY 0.02063 -0.00467 0.00332 -0.03526 -0.01319 134 4XZ -0.01467 0.01223 -0.02737 -0.05166 0.02080 135 4YZ -0.00916 -0.04062 -0.01427 0.02838 -0.00445 136 10 H 1S -0.15357 -0.16056 -0.02380 0.24040 -0.20484 137 2S -0.15967 -0.08297 0.24671 0.09451 0.15748 138 11 H 1S 0.03889 -0.08250 0.18354 -0.03453 -0.19822 139 2S -0.04115 0.10249 0.02328 0.42674 -0.23192 140 12 H 1S 0.01059 -0.05377 -0.06664 -0.00760 -0.30760 141 2S 0.14412 -0.06167 0.18517 -0.14174 -0.05660 142 13 H 1S 0.07743 -0.16668 0.09111 -0.12793 -0.17963 143 2S 0.11546 0.20387 -0.06665 -0.08617 -0.21332 144 14 H 1S 0.11827 -0.11653 -0.09547 0.01360 -0.08283 145 2S 0.04114 -0.16474 0.36812 -0.28342 -0.29535 146 15 C 1S -0.00176 0.01336 -0.00819 0.01448 0.00320 147 2S -0.10289 -0.36076 0.22675 -0.02582 -0.08539 148 2PX 0.04793 0.14224 0.02311 0.04874 -0.02683 149 2PY -0.08640 -0.15131 -0.15472 -0.09790 -0.00802 150 2PZ 0.06093 0.19263 -0.29251 0.07792 0.02863 151 3S -0.37482 0.62251 -1.35803 0.73389 0.73201 152 3PX -0.02833 -0.55593 0.43971 -0.47320 -0.01706 153 3PY 0.41158 0.49171 0.19738 0.84283 0.03569 154 3PZ -0.12686 -0.65064 0.96184 -0.63713 -0.13162 155 4XX -0.06467 -0.04037 -0.03150 0.00853 -0.00050 156 4YY 0.00596 0.02103 -0.00365 0.06570 0.04029 157 4ZZ 0.00979 -0.02571 0.02514 -0.03937 -0.01907 158 4XY -0.00553 -0.00202 -0.00477 0.03568 0.02617 159 4XZ -0.02215 -0.01967 0.00878 -0.01365 0.00946 160 4YZ -0.00533 -0.00141 0.00889 0.01021 -0.00939 161 16 O 1S -0.00898 -0.00251 -0.00056 -0.01156 -0.00349 162 2S 0.03584 -0.00463 -0.04581 0.01202 0.06097 163 2PX 0.09476 0.06305 0.09669 0.16799 -0.04286 164 2PY 0.04916 0.07579 -0.10128 -0.03435 -0.00557 165 2PZ 0.06838 -0.01596 -0.05670 -0.05702 0.12621 166 3S 0.34153 0.20602 0.12765 0.53328 0.13652 167 3PX -0.17044 -0.09018 -0.08973 -0.28921 0.03335 168 3PY -0.03970 0.05569 0.00213 0.02498 -0.07217 169 3PZ -0.00404 -0.03548 0.01433 -0.04190 -0.01876 170 4XX 0.04430 0.02632 -0.01203 0.00928 0.02889 171 4YY 0.01269 -0.01539 0.00102 -0.00051 0.02184 172 4ZZ -0.01185 -0.00064 -0.01918 0.00911 -0.00763 173 4XY -0.00049 -0.00488 0.00099 0.01686 0.00787 174 4XZ 0.00208 0.01217 0.00991 0.01697 -0.01429 175 4YZ -0.01037 -0.01524 0.00741 -0.02558 0.00071 176 17 C 1S 0.00505 -0.00538 0.00447 -0.00398 0.01782 177 2S -0.22571 -0.03587 -0.15744 -0.04976 -0.27107 178 2PX -0.01210 -0.00771 -0.01596 0.03848 0.00519 179 2PY 0.19548 0.01044 0.15840 0.02622 0.18093 180 2PZ 0.15749 -0.08163 0.14330 -0.05876 0.08819 181 3S 0.89147 -0.02333 0.44094 -0.91887 1.20582 182 3PX -0.13215 0.10598 -0.20748 0.13977 -0.22247 183 3PY -0.75300 0.29150 -0.44941 0.09149 -1.14966 184 3PZ -0.39187 0.11014 -0.33700 0.58092 -0.08351 185 4XX -0.00207 -0.01915 -0.00909 -0.08910 0.02255 186 4YY -0.02049 -0.00266 -0.01698 0.00364 0.00238 187 4ZZ 0.00617 0.00758 0.00257 0.02464 -0.01122 188 4XY -0.04611 -0.01745 0.01181 -0.01297 -0.01821 189 4XZ 0.01886 0.02594 -0.00250 -0.00289 0.01346 190 4YZ -0.02181 -0.00106 0.00044 0.03677 -0.04142 191 18 O 1S 0.00488 -0.00159 -0.00525 -0.00074 0.00713 192 2S -0.00199 -0.04674 0.08192 0.04590 0.04197 193 2PX -0.06206 -0.03713 0.01052 -0.00906 -0.12406 194 2PY 0.12964 0.03774 0.05357 -0.01521 0.12313 195 2PZ 0.03012 0.02733 0.01265 -0.01025 -0.04227 196 3S -0.32008 0.11656 -0.14407 -0.08842 -0.65802 197 3PX 0.12338 0.00383 -0.00514 0.03741 0.23053 198 3PY -0.05463 -0.05612 0.04965 0.03111 -0.09917 199 3PZ 0.14272 -0.07466 0.00988 -0.10329 0.22139 200 4XX 0.00087 -0.01892 0.01812 -0.00667 0.01228 201 4YY -0.00640 -0.01548 0.02683 0.02594 -0.00386 202 4ZZ -0.01310 -0.01513 0.01125 0.03055 -0.00378 203 4XY 0.00512 0.01674 -0.01234 -0.00678 0.00808 204 4XZ -0.02855 0.00414 -0.01513 0.01979 -0.05069 205 4YZ 0.02436 0.01359 0.00428 0.02258 0.02394 206 19 O 1S 0.00029 -0.00296 -0.00432 0.01172 0.00599 207 2S 0.01555 0.06032 -0.07105 -0.03845 -0.03017 208 2PX -0.00647 0.02172 0.01061 -0.06842 -0.09168 209 2PY -0.06207 -0.11844 0.04985 -0.14145 -0.05304 210 2PZ 0.04072 0.11989 -0.03656 0.07245 0.07007 211 3S -0.17053 -0.42439 0.34417 -0.60269 -0.19520 212 3PX 0.05262 0.08779 -0.05121 0.12602 0.07807 213 3PY 0.02108 0.06758 -0.20220 0.32800 0.17639 214 3PZ 0.00541 0.01283 -0.12348 -0.00074 -0.05170 215 4XX 0.00185 0.02579 -0.02200 0.00004 0.00104 216 4YY -0.01629 -0.04100 -0.01057 -0.06350 -0.03745 217 4ZZ 0.02169 0.03527 -0.01860 0.00376 -0.00239 218 4XY 0.00087 -0.01331 0.00859 -0.02022 -0.00784 219 4XZ -0.00293 -0.01329 0.03661 -0.01034 0.00048 220 4YZ 0.00631 -0.00013 0.01870 0.00077 0.00320 221 20 H 1S 0.08204 -0.13293 -0.10179 -0.08064 -0.04472 222 2S 0.09166 0.29947 0.00445 0.21925 0.09293 223 21 H 1S 0.03256 -0.15793 -0.17713 -0.24243 0.00533 224 2S -0.02740 0.14560 0.19607 0.04019 0.22538 225 22 H 1S -0.09139 -0.10935 -0.01404 0.05304 0.05248 226 2S -0.20647 0.15948 -0.01742 -0.01080 -0.60476 227 23 H 1S -0.00999 -0.04012 -0.00541 0.12818 0.06454 228 2S 0.19846 -0.04491 -0.09121 -0.04472 0.23156 229 24 H 1S 0.08626 -0.18241 0.03515 0.18998 -0.02231 230 2S 0.38927 -0.29213 -0.19332 0.12685 -0.30910 231 25 H 1S -0.05010 -0.10886 -0.24995 -0.07945 0.05389 232 2S 0.34999 -0.29288 -0.27856 -0.09179 -0.01878 233 26 H 1S -0.05777 -0.19173 -0.08509 0.03309 0.10362 234 2S -0.72976 0.00517 0.17253 0.14345 0.45534 106 107 108 109 110 V V V V V Eigenvalues -- 0.76150 0.77627 0.79469 0.80012 0.81252 1 1 C 1S -0.01820 0.00627 0.00344 -0.00943 -0.00797 2 2S 0.04329 0.10995 0.07516 0.12022 0.00402 3 2PX -0.10552 0.21849 0.15532 0.07662 0.15855 4 2PY 0.00227 0.02107 -0.09538 0.00997 0.04764 5 2PZ -0.19968 0.14762 0.20042 0.07329 -0.08235 6 3S -0.29920 -0.13990 -0.31074 -1.27490 -0.03762 7 3PX 0.52504 -0.48124 -0.23617 -0.29444 -0.26135 8 3PY 0.26198 -0.04033 0.25055 0.36201 -0.00600 9 3PZ 0.65498 -0.65914 -0.52846 0.35310 0.20196 10 4XX 0.01593 0.01196 0.00184 0.05118 0.01198 11 4YY -0.02533 0.01545 0.00955 -0.02400 -0.03556 12 4ZZ -0.00762 0.00325 -0.00044 -0.03301 0.01112 13 4XY 0.01779 -0.04602 0.01186 0.00057 -0.04104 14 4XZ 0.02179 -0.00003 -0.02305 0.01008 0.01575 15 4YZ 0.00463 0.00064 -0.01736 -0.02303 -0.00900 16 2 C 1S 0.00645 0.00376 0.01167 0.00281 0.00327 17 2S -0.07693 0.19322 0.02609 0.07110 -0.02568 18 2PX 0.37176 -0.09597 0.00436 -0.00441 0.00763 19 2PY -0.09773 0.22447 0.16057 -0.37354 -0.12702 20 2PZ -0.18674 -0.17302 -0.23147 -0.06996 -0.09970 21 3S -0.01584 -0.09610 0.15807 -1.14517 0.64495 22 3PX -1.14909 0.57900 -0.43441 -0.22495 0.12611 23 3PY 0.41065 -0.59838 -0.22174 2.43027 -0.03273 24 3PZ 0.48799 0.70998 0.58365 0.67130 0.12924 25 4XX 0.00274 -0.01282 -0.02233 0.02106 -0.01438 26 4YY 0.01204 0.02472 0.01023 -0.06677 0.02414 27 4ZZ -0.02325 0.04045 0.04090 0.02508 0.00070 28 4XY 0.00856 0.00249 0.02245 0.02620 0.01150 29 4XZ -0.02682 0.02171 0.01069 0.00121 0.01476 30 4YZ 0.00320 -0.02602 -0.02716 -0.00162 0.00011 31 3 C 1S -0.00417 -0.01362 -0.02798 -0.01773 0.01642 32 2S -0.11435 -0.07374 0.19630 0.18178 -0.02097 33 2PX -0.23998 -0.04003 -0.34746 0.04592 0.05679 34 2PY 0.02687 0.16251 0.05875 -0.17778 0.04934 35 2PZ 0.06890 0.11278 0.20818 0.40184 -0.20248 36 3S 0.37295 -0.17252 -0.35750 1.47092 0.21911 37 3PX 0.61348 -0.07920 0.86822 -0.31569 0.01355 38 3PY 0.02148 -0.71977 -0.03780 0.75475 -0.56565 39 3PZ -0.27382 -0.31231 -0.74466 -2.35376 0.67215 40 4XX 0.00178 0.01902 0.04366 -0.00415 -0.00242 41 4YY 0.00189 -0.03294 0.00685 0.07238 0.01928 42 4ZZ -0.02609 -0.02194 -0.03808 0.00126 -0.00740 43 4XY -0.00084 0.01165 -0.00230 -0.02447 -0.01219 44 4XZ 0.01432 -0.00685 0.00720 0.00727 -0.00049 45 4YZ -0.00409 0.02801 0.04223 -0.03018 0.02282 46 4 C 1S -0.01289 0.00127 0.00312 0.01961 -0.00156 47 2S 0.05791 -0.04440 0.09465 0.09612 0.14949 48 2PX -0.06496 -0.24407 0.26254 -0.14751 -0.03412 49 2PY -0.00290 0.03839 0.14447 0.22309 0.02536 50 2PZ -0.07959 0.01069 -0.03183 -0.25797 0.18788 51 3S -0.39418 -0.53427 -0.62865 -0.93619 0.29174 52 3PX 0.26642 0.51102 -1.54374 0.82195 0.26023 53 3PY 0.24258 -0.28266 -0.77736 -1.01214 -0.11480 54 3PZ 0.10731 -0.15020 0.19939 0.71930 -1.03079 55 4XX -0.00836 -0.00111 0.00350 -0.00258 0.00448 56 4YY -0.01652 -0.00919 -0.02445 0.01123 -0.02012 57 4ZZ 0.00868 -0.01306 0.02641 -0.00123 0.05386 58 4XY 0.01769 -0.01873 -0.00018 0.00775 0.03382 59 4XZ -0.00756 0.02170 0.04052 -0.00989 -0.02207 60 4YZ -0.00948 -0.01771 0.01024 -0.02963 0.02539 61 5 C 1S 0.01510 -0.00735 0.01002 0.02421 -0.01055 62 2S 0.07354 -0.04384 0.12531 -0.19771 0.22136 63 2PX -0.07799 -0.01361 0.28901 -0.14429 -0.14948 64 2PY 0.16228 -0.01018 0.10292 0.09595 -0.27844 65 2PZ -0.03162 -0.18237 -0.09928 0.29140 -0.03121 66 3S -1.04013 -0.55400 -0.29036 0.82102 -0.34658 67 3PX 0.59825 -0.20315 -1.51720 0.26042 0.61401 68 3PY -1.12972 -0.33405 -0.76395 0.04333 1.23325 69 3PZ 0.21723 0.65032 0.80600 -0.90438 -0.01663 70 4XX -0.00084 -0.02319 0.01932 -0.01347 0.00307 71 4YY -0.01894 -0.00787 -0.00964 0.00574 0.03354 72 4ZZ 0.02073 0.00286 0.02026 0.01775 -0.01904 73 4XY -0.00928 -0.00966 0.02198 -0.00026 0.03515 74 4XZ -0.00760 0.01022 -0.01591 -0.01826 -0.01652 75 4YZ 0.02770 0.02253 0.02565 0.05533 0.02586 76 6 C 1S 0.00372 0.00049 -0.00213 -0.02097 0.01058 77 2S -0.05743 0.06463 0.07180 0.23457 -0.01346 78 2PX 0.31997 -0.16198 -0.29003 0.00254 -0.01010 79 2PY 0.13962 0.17066 0.15490 -0.06931 -0.04851 80 2PZ -0.02274 0.09739 0.01732 -0.30186 0.07430 81 3S 0.66695 0.54101 -0.22598 -0.69917 -0.09300 82 3PX -1.00462 0.87451 1.84221 -0.11963 -0.61165 83 3PY -1.30767 -0.59477 -1.01512 0.46109 0.33197 84 3PZ 0.56934 -0.12209 0.09131 0.96010 -0.10159 85 4XX -0.03832 0.05268 -0.03203 0.03038 0.00789 86 4YY 0.01125 -0.00738 0.01032 -0.01756 -0.06965 87 4ZZ 0.03241 -0.01809 0.03037 -0.00917 0.06294 88 4XY 0.00056 -0.00656 0.02571 -0.01128 -0.02172 89 4XZ 0.04510 -0.01341 0.01402 0.01176 0.02463 90 4YZ 0.01646 -0.03548 0.01059 0.00025 0.00707 91 7 C 1S 0.00238 0.00518 0.00887 -0.00452 0.00884 92 2S 0.04766 -0.00622 -0.04555 0.08617 0.12618 93 2PX -0.15886 0.29046 -0.30061 0.04182 0.03947 94 2PY -0.15968 0.26010 -0.15995 0.17582 -0.14646 95 2PZ -0.18834 0.09443 0.12150 0.01048 -0.02280 96 3S -0.33070 1.05161 0.73260 0.37775 -0.56467 97 3PX 0.72585 -0.80358 1.86911 -0.40078 -0.27875 98 3PY 0.54009 -0.58037 0.48823 -1.10638 0.42439 99 3PZ 0.54569 -0.16617 -0.59599 -0.15192 0.11667 100 4XX -0.02892 0.01251 -0.00404 0.00995 -0.00716 101 4YY 0.00946 -0.01129 -0.01397 -0.02258 0.00471 102 4ZZ 0.01678 0.03899 0.03134 0.03693 0.01819 103 4XY 0.04037 -0.04172 -0.03970 0.01034 -0.00181 104 4XZ 0.04340 -0.01955 -0.00611 -0.00027 0.00346 105 4YZ 0.00521 0.00382 -0.00313 0.04559 0.01277 106 8 C 1S 0.00325 -0.00232 -0.00496 -0.00940 0.00679 107 2S -0.02508 0.04436 0.05891 0.16393 0.07567 108 2PX 0.16995 -0.06397 0.01863 0.20253 0.08671 109 2PY -0.05316 0.05170 -0.31767 0.07145 -0.00838 110 2PZ -0.00573 -0.00257 -0.18218 -0.34403 -0.09643 111 3S 0.69039 -0.69229 -0.01272 -0.64672 -0.16910 112 3PX -0.56279 0.25784 0.34682 -0.74863 0.09068 113 3PY 0.48164 -0.49917 1.38095 -0.53867 0.02238 114 3PZ -0.08261 0.05375 0.88629 0.87306 0.10740 115 4XX 0.03410 -0.01235 0.00652 0.02597 0.03476 116 4YY 0.02257 -0.02021 -0.01397 0.01814 0.01750 117 4ZZ -0.03500 0.01381 0.01269 -0.04099 -0.03102 118 4XY 0.03868 -0.04644 0.03555 -0.00589 -0.01103 119 4XZ 0.03084 -0.05175 -0.01348 -0.03941 -0.02734 120 4YZ -0.00701 -0.01315 -0.00739 -0.00694 0.02928 121 9 C 1S -0.00425 0.00564 0.00456 0.01830 -0.00274 122 2S -0.06551 -0.03383 0.04018 -0.03169 0.21365 123 2PX -0.04765 0.05104 0.23113 -0.22242 0.19322 124 2PY 0.05737 0.00861 -0.13484 0.17485 -0.21063 125 2PZ -0.09492 -0.01369 0.19603 0.18441 -0.32909 126 3S 0.52671 0.13853 -0.16294 0.29177 -0.68643 127 3PX 0.35882 -0.19324 -0.89022 1.09262 -0.45776 128 3PY 0.08913 -0.23830 0.50245 -0.29781 0.69530 129 3PZ 0.25134 0.15634 -1.06641 -0.24325 0.68005 130 4XX 0.00526 0.00736 0.00981 0.00209 0.04608 131 4YY -0.00204 0.00505 0.02166 -0.01158 -0.03881 132 4ZZ -0.00670 -0.00660 -0.02538 0.03434 0.01518 133 4XY -0.01288 0.02730 -0.02237 -0.00299 -0.00208 134 4XZ 0.02139 0.02163 -0.00684 0.00573 -0.03866 135 4YZ -0.00997 0.01733 -0.00216 0.03348 -0.06569 136 10 H 1S 0.01292 -0.02904 0.03376 0.26750 -0.22163 137 2S 0.08711 -0.07433 -0.16228 -0.54663 0.99907 138 11 H 1S -0.02874 -0.02265 -0.05471 0.02192 0.31138 139 2S 0.10397 -0.16992 0.05177 0.50129 -0.45888 140 12 H 1S -0.11000 0.16016 0.04707 0.17187 0.18023 141 2S -0.44163 0.17703 -0.14247 -0.49091 -0.16236 142 13 H 1S -0.16743 0.10071 0.04928 -0.18746 -0.03191 143 2S 0.05800 0.05890 0.51224 0.81360 0.23362 144 14 H 1S 0.00802 0.06227 0.09371 -0.12140 0.02412 145 2S 0.00164 0.04659 -0.32793 0.61418 -0.13522 146 15 C 1S 0.01593 0.03167 -0.00005 -0.00192 0.00214 147 2S 0.35890 0.37938 0.07930 0.05621 0.20851 148 2PX 0.01534 0.19254 -0.08647 -0.01810 -0.07735 149 2PY -0.03853 0.04230 -0.09685 0.10640 0.18909 150 2PZ -0.00181 -0.01702 -0.04152 -0.03961 0.00115 151 3S 0.22361 -0.47574 -0.72081 -0.02894 0.25341 152 3PX -0.40471 -0.79622 0.17419 0.17115 0.19763 153 3PY 0.63840 1.50959 0.43049 -0.10236 -0.16836 154 3PZ -0.53864 -0.22840 0.16539 -0.00383 -0.11984 155 4XX 0.07248 -0.07203 0.03311 -0.01700 -0.00254 156 4YY 0.07903 0.13571 -0.03661 0.02481 0.08942 157 4ZZ -0.04396 0.03642 -0.00463 0.00108 -0.02733 158 4XY 0.02535 0.02032 -0.01132 0.00523 0.02961 159 4XZ 0.00991 0.04255 -0.01254 0.00044 -0.04134 160 4YZ -0.02171 -0.00848 -0.00812 0.00661 -0.02456 161 16 O 1S 0.00826 -0.00475 -0.00234 -0.00351 -0.00413 162 2S -0.00875 0.02644 0.04401 0.03499 0.08506 163 2PX -0.19359 0.10017 -0.03695 0.03227 0.11148 164 2PY -0.02165 0.07386 -0.02473 0.03987 0.04942 165 2PZ 0.13977 -0.08095 0.07742 0.03194 0.12856 166 3S -0.35190 0.16701 0.08811 0.08550 -0.00140 167 3PX 0.19131 -0.21582 -0.04634 -0.07281 -0.13988 168 3PY 0.34252 0.24978 0.05053 -0.11989 -0.13712 169 3PZ -0.18540 -0.09543 -0.08432 -0.00595 -0.08232 170 4XX 0.00333 0.03661 0.01518 0.01371 0.04080 171 4YY -0.03252 -0.00023 0.01746 0.01435 0.00816 172 4ZZ 0.00807 -0.00798 -0.00520 0.00035 0.02421 173 4XY -0.03341 -0.05909 -0.00120 0.01535 0.02625 174 4XZ 0.00560 0.03018 0.00422 0.00061 0.00370 175 4YZ -0.01370 0.02275 -0.01146 0.00310 0.00127 176 17 C 1S -0.02041 -0.02636 0.00807 0.00753 0.01173 177 2S -0.23716 -0.35990 0.18683 0.17785 0.26490 178 2PX -0.17052 -0.12259 -0.06227 -0.02255 0.09371 179 2PY -0.06088 -0.04122 0.01091 -0.02267 -0.16145 180 2PZ 0.09525 0.03185 0.12122 0.02415 0.08222 181 3S 0.12145 0.40537 0.70023 -0.18212 -0.20761 182 3PX 0.11075 0.20318 0.01273 0.10127 0.11063 183 3PY 1.46963 0.98730 -0.34288 -0.38379 -0.43862 184 3PZ -0.82053 -0.69352 -0.30832 0.27948 0.38596 185 4XX -0.00399 0.01024 0.03040 0.02560 -0.00855 186 4YY -0.01476 -0.07428 0.02415 0.01637 0.03632 187 4ZZ -0.04277 -0.03312 0.01611 -0.00035 0.03853 188 4XY 0.04355 0.01221 -0.01478 -0.03307 -0.05908 189 4XZ -0.05495 -0.05857 0.04471 -0.00671 0.03593 190 4YZ 0.04731 0.02129 -0.03834 -0.03036 -0.04951 191 18 O 1S -0.02312 -0.01698 0.01101 0.00953 0.01780 192 2S 0.17153 0.12194 -0.03141 -0.10937 -0.18286 193 2PX 0.10764 0.04708 -0.15633 -0.05724 -0.11023 194 2PY -0.17396 -0.10980 0.08268 0.05727 0.13234 195 2PZ 0.09423 0.10311 0.04281 -0.05103 -0.19887 196 3S 0.63796 0.39786 -0.24429 -0.11907 -0.19443 197 3PX -0.37750 -0.29943 0.25343 0.14255 0.30847 198 3PY 0.31580 0.22879 -0.18944 -0.13697 -0.38565 199 3PZ -0.32524 -0.27148 0.18883 0.16144 0.45083 200 4XX 0.06557 0.05612 -0.01407 -0.02543 -0.06981 201 4YY 0.05465 0.03649 -0.01850 -0.04273 -0.07379 202 4ZZ 0.05139 0.03649 -0.01537 -0.03309 -0.05705 203 4XY -0.02724 -0.01354 -0.00253 0.00424 -0.00570 204 4XZ 0.02384 0.00585 -0.01031 -0.00304 -0.01037 205 4YZ -0.03001 -0.02152 0.00944 0.00630 0.00657 206 19 O 1S 0.01386 0.02631 -0.00364 0.00426 0.01084 207 2S -0.12872 -0.20361 0.01840 -0.02897 -0.18956 208 2PX -0.01973 -0.01587 -0.02020 -0.01906 -0.01443 209 2PY -0.09775 -0.29302 0.02382 -0.04644 -0.18017 210 2PZ 0.04716 0.02002 -0.08601 -0.01300 0.01792 211 3S -0.27718 -0.60746 -0.02528 0.01776 0.15396 212 3PX 0.07954 0.23820 -0.02071 -0.00175 -0.00933 213 3PY 0.34600 0.74112 -0.14408 0.16351 0.48610 214 3PZ 0.01441 -0.03961 0.04884 0.00644 -0.00174 215 4XX -0.00918 -0.08669 0.01805 -0.01792 -0.05939 216 4YY -0.06221 -0.10845 0.01066 -0.00260 -0.06713 217 4ZZ -0.05860 -0.02313 -0.00542 -0.01320 -0.07188 218 4XY -0.01578 -0.01297 0.00235 0.00027 0.00347 219 4XZ -0.00875 0.01291 -0.00549 -0.00773 -0.01404 220 4YZ -0.00023 0.01270 -0.00263 0.00050 0.00712 221 20 H 1S 0.28320 -0.10072 0.14337 -0.14469 0.33275 222 2S 0.10523 -0.03663 -0.07893 0.80245 -0.35884 223 21 H 1S 0.09358 0.00618 0.03573 0.38349 0.05636 224 2S -0.36575 0.11276 0.15041 -0.87571 0.41251 225 22 H 1S -0.07347 0.00162 -0.00225 0.17731 -0.06662 226 2S 0.15783 -0.18395 -0.13767 -0.71043 0.32041 227 23 H 1S -0.12523 -0.14609 -0.31185 -0.13006 -0.01595 228 2S 0.14016 0.19863 0.73571 1.34437 -0.45145 229 24 H 1S -0.08493 -0.06567 0.11237 -0.02688 -0.23053 230 2S -0.19269 0.27159 -0.10320 0.10015 0.34365 231 25 H 1S -0.05649 0.17322 0.02647 0.08645 0.10722 232 2S 0.26965 -0.39213 -0.14398 -0.21029 -0.25862 233 26 H 1S -0.14127 0.04177 0.00692 -0.14150 -0.00130 234 2S -0.28496 0.42274 0.37178 0.12867 -0.15455 111 112 113 114 115 V V V V V Eigenvalues -- 0.81886 0.82609 0.83522 0.83870 0.84838 1 1 C 1S 0.00887 0.00035 0.01318 0.00222 0.00696 2 2S -0.11886 -0.02847 -0.13943 0.01906 -0.08835 3 2PX -0.05801 0.10423 0.08399 0.08712 0.17902 4 2PY -0.05397 0.12209 -0.09342 -0.08780 0.01397 5 2PZ -0.00129 -0.01284 0.13089 0.01932 -0.03314 6 3S 0.31525 0.01531 0.24075 1.01000 0.15946 7 3PX -0.04910 -0.04538 -0.14093 0.02357 -0.33572 8 3PY -0.06897 -0.07002 0.17162 -0.24344 -0.17454 9 3PZ 0.02663 0.00607 -0.28790 -0.37523 0.20005 10 4XX -0.00192 -0.02528 -0.01024 -0.04035 0.04434 11 4YY -0.00119 -0.00014 -0.02716 0.05458 -0.03061 12 4ZZ -0.01244 0.01666 0.01543 0.01305 -0.01780 13 4XY 0.02793 -0.03742 -0.01779 -0.04007 -0.05138 14 4XZ -0.01266 0.00809 0.01086 0.00830 0.00848 15 4YZ -0.00285 -0.01524 -0.00704 0.00927 0.00948 16 2 C 1S 0.00619 0.00512 0.00756 -0.00238 -0.00373 17 2S 0.09645 -0.19741 -0.17498 0.18854 0.08860 18 2PX -0.23876 0.21101 0.07240 -0.00603 0.00834 19 2PY -0.07354 0.01156 0.11230 0.11712 -0.02664 20 2PZ 0.02282 0.23863 0.02658 0.15573 0.05938 21 3S 0.14948 0.65803 0.83424 -0.04837 -0.83310 22 3PX 0.47710 -0.51731 0.06779 0.10989 0.14162 23 3PY -0.02104 0.12271 -0.19097 -1.20534 0.34739 24 3PZ -0.32704 -0.79345 -0.40739 -1.59608 -0.06041 25 4XX 0.01319 -0.00813 0.00346 -0.01459 0.00428 26 4YY 0.00690 0.01632 0.00692 0.01432 -0.00479 27 4ZZ 0.01325 -0.01714 -0.00619 0.03911 -0.00741 28 4XY -0.01279 0.01944 0.00387 -0.00031 0.02415 29 4XZ -0.02986 0.02530 0.00731 -0.02294 0.02609 30 4YZ -0.00230 0.00692 0.01317 0.04431 0.01009 31 3 C 1S 0.01541 0.02540 -0.00825 0.02149 -0.00230 32 2S 0.08285 -0.29788 0.04640 0.18736 0.00274 33 2PX -0.09404 -0.02975 -0.00703 -0.06433 -0.01250 34 2PY -0.01874 -0.00188 0.06686 -0.32647 -0.04547 35 2PZ -0.17715 -0.44162 -0.00378 -0.35983 0.07811 36 3S -0.08542 0.20453 -0.77806 -1.54063 0.64769 37 3PX -0.15336 0.26435 -0.12708 -0.13947 -0.16767 38 3PY 0.03324 0.38087 0.18748 1.56769 0.18872 39 3PZ 0.39068 1.55518 0.56838 1.53111 -0.59168 40 4XX 0.00634 -0.02366 0.00958 -0.02586 0.00144 41 4YY -0.00446 -0.05883 0.00249 -0.02122 0.00347 42 4ZZ 0.02803 0.03847 -0.03026 0.06007 0.01163 43 4XY -0.01002 0.01158 0.00686 -0.01514 -0.01943 44 4XZ -0.01498 0.02438 0.01164 -0.00376 -0.01714 45 4YZ -0.00540 -0.03603 0.01265 -0.01938 -0.00996 46 4 C 1S 0.01064 0.00644 -0.03393 0.00222 0.01379 47 2S 0.01582 -0.21524 0.24523 0.15176 -0.18641 48 2PX -0.22705 0.18077 0.01716 -0.01473 -0.06672 49 2PY 0.18465 -0.02527 -0.53670 -0.09438 0.24541 50 2PZ -0.19221 -0.09687 0.22809 -0.26314 -0.05066 51 3S 0.14155 0.44867 -0.22389 0.12047 0.49223 52 3PX 0.76038 -1.00421 0.18141 -0.28588 -0.05653 53 3PY -0.37762 0.41812 1.92349 0.86962 -1.01826 54 3PZ 0.28393 0.68855 -0.13721 1.89381 0.02481 55 4XX 0.00318 -0.04622 0.02518 0.02371 0.02144 56 4YY 0.00518 0.04873 -0.03761 0.01574 -0.00323 57 4ZZ -0.00063 -0.01825 0.02253 -0.01241 -0.02789 58 4XY 0.01574 -0.03324 0.00337 -0.00167 0.00298 59 4XZ 0.00410 0.02256 -0.03193 -0.00193 0.00645 60 4YZ 0.01858 -0.02389 0.04719 0.09138 -0.00967 61 5 C 1S -0.01183 -0.00198 0.01195 0.00460 -0.02063 62 2S 0.31043 -0.01264 0.02386 -0.08848 0.24204 63 2PX -0.04660 0.16359 0.03386 0.07495 -0.00378 64 2PY -0.27713 0.18634 -0.02392 0.13558 -0.33336 65 2PZ -0.27211 -0.08884 0.13108 -0.06102 -0.26013 66 3S -0.63272 0.00265 -0.86710 0.21402 0.18214 67 3PX 0.10620 -0.89247 0.19137 -0.76851 0.15110 68 3PY 0.77791 -0.94461 -0.61502 -0.94313 1.56552 69 3PZ 0.48454 0.50042 -0.50677 0.44739 0.61669 70 4XX 0.00376 0.01030 -0.01202 -0.03330 0.03907 71 4YY -0.02891 -0.00054 0.00522 -0.00138 0.00272 72 4ZZ 0.06422 -0.01523 -0.00704 0.02769 0.00042 73 4XY -0.00623 -0.00923 0.01273 0.06157 -0.00511 74 4XZ 0.02554 -0.00416 0.01342 0.01155 0.00552 75 4YZ -0.03722 -0.00104 -0.01677 0.01373 -0.04657 76 6 C 1S -0.00982 -0.00151 -0.01600 0.00322 0.01968 77 2S 0.36026 0.15386 0.02573 -0.05550 -0.30725 78 2PX -0.07684 -0.10529 0.03096 -0.15724 0.03780 79 2PY -0.00005 0.12212 -0.10741 0.04119 -0.08738 80 2PZ -0.40065 -0.13467 -0.09887 0.00610 0.42096 81 3S -0.48079 -0.70927 0.54649 0.61834 0.28344 82 3PX 0.13500 0.97329 -0.05768 0.65072 -0.61304 83 3PY -0.10002 -0.61166 -0.10050 -0.57261 0.62559 84 3PZ 0.95244 0.09582 0.70540 0.28835 -1.45519 85 4XX 0.02303 -0.00320 0.00745 -0.01102 -0.03656 86 4YY 0.05843 0.03374 0.00691 -0.00846 -0.03140 87 4ZZ -0.02450 -0.02721 -0.00628 0.03078 0.02988 88 4XY -0.00070 -0.00506 0.01975 -0.03639 -0.01045 89 4XZ -0.02951 0.00110 -0.03311 0.01705 -0.01457 90 4YZ 0.03806 -0.01940 -0.02835 0.02127 0.02235 91 7 C 1S 0.01233 -0.03070 0.02363 0.01389 -0.00603 92 2S 0.01982 0.11437 -0.36558 0.08857 0.09471 93 2PX 0.07375 -0.16818 0.21935 0.01641 0.09405 94 2PY -0.31167 0.40198 -0.28618 -0.23695 -0.02042 95 2PZ 0.10608 0.05214 0.23346 0.18105 -0.15002 96 3S 0.03686 -0.11483 0.63586 -0.50252 -0.55932 97 3PX -0.48122 1.10719 -0.83927 0.04630 0.01222 98 3PY 0.58331 -1.11953 0.65691 1.01118 -0.05771 99 3PZ -0.57937 -0.61020 -1.21694 -1.21670 0.68283 100 4XX 0.02449 0.02450 -0.05307 0.05836 -0.00340 101 4YY -0.01165 -0.01239 0.07774 -0.03706 -0.00840 102 4ZZ -0.00124 -0.01825 -0.05037 -0.00841 0.00026 103 4XY -0.00429 -0.00494 -0.02624 0.01956 -0.01195 104 4XZ 0.01995 -0.02111 0.01633 0.01621 0.00479 105 4YZ 0.02201 0.04303 -0.02914 -0.00788 -0.00190 106 8 C 1S -0.00115 -0.00431 0.00131 -0.00489 0.00718 107 2S 0.37609 -0.06484 -0.10981 0.20870 -0.14590 108 2PX 0.03667 0.20622 0.43606 -0.09461 0.23213 109 2PY 0.06751 -0.10967 -0.06067 0.15084 -0.12704 110 2PZ -0.17918 -0.46790 -0.33545 0.04607 -0.28150 111 3S -0.74536 0.09214 0.19771 -0.07158 0.22480 112 3PX 0.23684 -0.67695 -1.26903 0.18518 -0.46865 113 3PY -0.53134 0.35143 -0.37678 -0.49332 0.65310 114 3PZ 0.43811 0.91221 0.78966 0.28228 0.81183 115 4XX 0.01022 0.04117 0.05018 -0.06238 0.01357 116 4YY 0.07260 0.00871 -0.03517 0.06735 0.00212 117 4ZZ -0.02775 -0.06611 -0.03383 0.03491 -0.03040 118 4XY 0.01668 -0.03184 -0.05397 0.05822 -0.01122 119 4XZ -0.03515 0.00020 0.01548 -0.01070 -0.03081 120 4YZ 0.00743 0.00938 -0.00999 0.00016 0.01451 121 9 C 1S -0.00368 -0.00494 -0.00037 -0.01303 -0.01159 122 2S 0.35814 -0.11872 -0.10349 0.23174 0.16504 123 2PX 0.10483 0.11300 -0.23075 -0.33116 -0.26214 124 2PY -0.10159 0.01584 0.03091 0.00364 0.04755 125 2PZ -0.26362 -0.12122 0.08349 0.24791 0.40241 126 3S -0.55101 0.08670 0.05479 -0.26512 -0.25314 127 3PX 0.15726 -0.25139 0.89403 1.21077 0.55449 128 3PY 0.33584 -0.28815 -0.51906 -0.16272 0.05980 129 3PZ 0.77524 -0.12668 -0.14968 -0.30074 -1.32497 130 4XX 0.04278 -0.00281 -0.00943 0.00083 -0.03099 131 4YY -0.01964 -0.00729 -0.01503 -0.00862 0.01696 132 4ZZ 0.03291 -0.01954 0.00350 0.03861 0.02444 133 4XY -0.02871 0.05560 0.00555 -0.07990 -0.01011 134 4XZ 0.02615 -0.02767 -0.00279 0.05692 0.03668 135 4YZ -0.04426 -0.03522 -0.00404 0.00396 0.01276 136 10 H 1S -0.12390 -0.14980 0.04376 0.07442 0.02241 137 2S 0.74376 0.03389 -0.34945 -0.23621 -0.65678 138 11 H 1S 0.08725 0.07874 0.00835 -0.34348 -0.27178 139 2S -0.03291 -0.40802 0.33588 1.00220 1.02942 140 12 H 1S 0.09444 0.18676 0.20851 -0.26022 0.22258 141 2S 0.24587 -0.79342 -1.05964 0.53097 -0.79326 142 13 H 1S -0.09153 -0.31655 -0.20805 0.01632 -0.06028 143 2S 0.54195 0.79525 0.56213 0.07277 0.57419 144 14 H 1S 0.14567 -0.25498 0.33095 -0.01605 -0.03813 145 2S -0.46461 0.86795 -1.24813 -0.59230 0.24683 146 15 C 1S 0.00252 -0.00098 -0.00158 0.00875 -0.01079 147 2S 0.11789 -0.04163 -0.02390 0.15266 0.00808 148 2PX -0.03697 -0.04213 0.11333 0.00103 -0.14920 149 2PY -0.07766 0.05081 -0.10078 0.12223 0.00260 150 2PZ -0.02566 -0.01734 -0.00305 -0.03338 0.05492 151 3S -0.43799 0.14928 -0.32708 -0.17435 0.23098 152 3PX 0.04249 0.05762 -0.34238 -0.00216 0.33235 153 3PY 0.36816 -0.20600 0.53034 0.18997 -0.58570 154 3PZ -0.15256 0.13524 -0.21153 0.00306 0.13644 155 4XX 0.03289 -0.01261 -0.02062 -0.00759 0.02020 156 4YY -0.05150 0.00167 -0.02286 0.06602 -0.01995 157 4ZZ 0.02182 0.01113 0.01601 -0.01069 -0.00387 158 4XY -0.02630 -0.00703 -0.00932 -0.00561 0.00114 159 4XZ 0.01418 0.01255 0.01015 -0.02037 -0.01630 160 4YZ -0.00495 0.00317 0.00798 -0.03237 -0.01736 161 16 O 1S 0.00026 0.00278 0.00056 -0.00035 -0.00030 162 2S 0.00011 0.00378 -0.00085 -0.04021 -0.02652 163 2PX -0.14120 -0.01407 0.03158 -0.03308 -0.03271 164 2PY 0.00442 0.03865 -0.05387 0.09947 -0.01448 165 2PZ -0.00684 -0.02545 -0.03660 0.09397 -0.00504 166 3S 0.16119 -0.14523 -0.01968 -0.02966 0.06897 167 3PX 0.07014 0.08353 -0.05659 0.03802 0.06011 168 3PY 0.01930 -0.07024 0.25777 -0.04892 -0.16794 169 3PZ -0.00302 0.06650 -0.04975 -0.10179 0.08362 170 4XX 0.00652 -0.00502 0.00611 0.00675 -0.01719 171 4YY 0.01119 0.00537 -0.01022 -0.02971 0.00187 172 4ZZ -0.02666 0.00434 0.00572 -0.01870 -0.00561 173 4XY -0.01467 0.00337 -0.02716 -0.00096 0.01488 174 4XZ -0.00096 -0.01327 0.00886 0.00247 -0.00808 175 4YZ -0.01749 0.00634 0.00214 0.01116 -0.00682 176 17 C 1S -0.00564 -0.00317 -0.00167 -0.00033 0.00142 177 2S 0.14715 -0.10268 -0.10718 0.08704 -0.07946 178 2PX -0.13813 0.04170 -0.05705 0.00453 0.10970 179 2PY -0.01707 0.09712 -0.05082 -0.07091 0.06230 180 2PZ -0.07593 -0.02596 0.05958 0.02242 -0.10648 181 3S -0.68550 0.33657 0.57430 0.05150 -0.52433 182 3PX 0.35975 -0.21339 -0.04469 0.04443 -0.04088 183 3PY 0.07109 -0.08301 0.58631 0.39422 -0.55186 184 3PZ -0.03473 -0.20123 -0.30406 -0.28993 0.33761 185 4XX 0.03623 0.00318 0.00419 0.05006 -0.02747 186 4YY -0.00842 -0.01619 -0.00391 -0.01048 -0.00978 187 4ZZ -0.03754 -0.00436 0.00323 -0.01147 -0.00017 188 4XY 0.04834 0.00316 0.00227 -0.02656 0.03015 189 4XZ -0.05105 0.00908 0.01154 0.00603 -0.01772 190 4YZ 0.03008 0.01366 0.00146 -0.02815 0.03296 191 18 O 1S -0.00515 -0.00216 -0.00558 -0.00154 0.00035 192 2S 0.14065 0.02826 0.02950 -0.13020 0.08013 193 2PX 0.02373 0.02503 0.03302 0.03653 0.05705 194 2PY -0.16760 -0.00570 0.02529 0.09008 -0.09886 195 2PZ 0.12508 0.08252 -0.04041 0.01889 0.00408 196 3S -0.02747 0.00418 0.17104 0.39958 -0.26756 197 3PX -0.17002 -0.03252 -0.09457 -0.07834 -0.04241 198 3PY 0.27765 0.08836 -0.06224 -0.13190 0.19875 199 3PZ -0.22305 -0.10449 0.00708 0.01131 -0.06526 200 4XX 0.06631 0.00988 -0.00240 -0.02755 0.02639 201 4YY 0.04690 0.01632 0.00819 -0.04930 0.03439 202 4ZZ 0.05180 0.01243 -0.00090 -0.04848 0.03725 203 4XY -0.00966 0.00617 -0.00228 0.01374 -0.00210 204 4XZ 0.00915 -0.00398 -0.00179 -0.00014 -0.00632 205 4YZ -0.03426 0.00502 0.00020 -0.01670 -0.00423 206 19 O 1S 0.00188 -0.00378 0.00248 0.00651 -0.00495 207 2S 0.15486 0.03483 0.03166 -0.13083 0.02356 208 2PX -0.09645 0.05250 -0.04080 0.01254 0.02489 209 2PY 0.14768 -0.06371 0.06282 -0.17652 0.07697 210 2PZ 0.01056 -0.10780 -0.00165 -0.01071 0.00573 211 3S -0.32951 0.04579 -0.23986 0.04439 0.25232 212 3PX 0.09807 -0.07963 0.12060 0.00849 -0.09292 213 3PY -0.21489 0.06559 -0.11016 0.38933 -0.16373 214 3PZ 0.02910 0.07326 0.04230 0.00082 0.00346 215 4XX 0.05110 -0.00739 0.01263 -0.04603 0.01097 216 4YY 0.07599 0.00815 0.01108 -0.04981 0.01969 217 4ZZ 0.04531 0.00550 0.02771 -0.05393 0.00140 218 4XY 0.00345 -0.00287 -0.00058 0.00348 0.01229 219 4XZ -0.00672 -0.00721 0.00419 -0.00869 0.00517 220 4YZ 0.00002 -0.00352 0.00402 0.00809 0.00203 221 20 H 1S -0.22218 -0.13169 -0.10509 0.10403 0.34148 222 2S 0.85779 0.27154 0.36152 -0.09738 -1.22181 223 21 H 1S -0.11929 -0.00039 -0.03796 0.12258 -0.35762 224 2S 0.76535 -0.05315 -0.24929 -0.14999 1.19755 225 22 H 1S 0.12598 0.12286 -0.34959 -0.13471 0.14467 226 2S -0.37970 -0.21208 1.39643 0.20203 -0.65659 227 23 H 1S 0.11162 0.28513 -0.03780 0.36499 0.02498 228 2S -0.26944 -1.19111 -0.10508 -0.74432 0.25051 229 24 H 1S 0.17746 -0.20181 -0.00215 -0.11308 -0.09163 230 2S -0.16834 0.23177 0.00158 0.08154 0.35063 231 25 H 1S -0.00691 -0.00329 0.11892 0.01796 0.28997 232 2S 0.01315 -0.06330 -0.26070 -0.08939 -0.45532 233 26 H 1S 0.01653 0.13506 0.14146 0.06063 -0.03561 234 2S -0.05297 -0.11508 0.02486 0.01810 -0.09854 116 117 118 119 120 V V V V V Eigenvalues -- 0.86064 0.86559 0.87673 0.88565 0.89329 1 1 C 1S 0.00310 0.01675 0.01194 0.01699 -0.00112 2 2S 0.06670 0.10108 0.07303 -0.25597 -0.09454 3 2PX -0.53355 -0.30198 0.29254 0.03358 -0.07816 4 2PY -0.02649 -0.13048 0.10277 -0.25284 0.08042 5 2PZ -0.03809 0.05432 -0.07654 0.15566 -0.36737 6 3S -0.32065 0.16013 0.16261 1.09761 0.52273 7 3PX 1.14342 0.86628 -0.11711 -0.23450 -0.17337 8 3PY 0.21332 -0.00859 -0.28254 0.00554 -0.10535 9 3PZ -0.01534 -0.28981 -0.12742 -0.42249 0.11318 10 4XX -0.04943 0.00417 0.02429 0.06411 -0.14797 11 4YY 0.03151 0.05405 -0.02039 0.01695 -0.00865 12 4ZZ 0.02576 -0.01028 0.02813 -0.10061 0.14200 13 4XY 0.08957 0.04090 -0.09735 0.02640 -0.01211 14 4XZ 0.00365 0.00826 0.06465 -0.03094 -0.02649 15 4YZ -0.00541 0.02791 0.02941 0.01326 -0.06038 16 2 C 1S 0.01052 -0.00322 0.01022 0.01240 -0.00025 17 2S 0.00011 0.15928 0.13112 0.01644 -0.11132 18 2PX 0.10994 0.24652 0.05814 -0.27274 -0.26599 19 2PY 0.10407 0.26710 0.28552 0.25322 0.04019 20 2PZ -0.06159 0.09903 -0.06878 -0.08768 -0.13252 21 3S 0.33574 -0.72453 -0.17830 0.83031 0.81664 22 3PX -0.49668 -0.52862 -0.28275 0.87780 0.85794 23 3PY -0.12410 -0.75282 -1.05378 -1.23659 -0.77614 24 3PZ 0.30006 -0.24341 0.28291 -0.31552 0.16011 25 4XX 0.02059 0.02661 -0.00196 -0.01443 -0.00769 26 4YY 0.00215 -0.01964 0.04608 0.04581 0.01605 27 4ZZ -0.00069 0.01292 -0.00437 0.01053 0.00317 28 4XY -0.06680 -0.02303 0.00988 -0.01071 -0.00622 29 4XZ -0.04525 -0.02072 -0.00555 0.01353 0.00578 30 4YZ -0.03765 0.01995 -0.00530 -0.02648 -0.01298 31 3 C 1S -0.00359 -0.00711 -0.01337 -0.00615 -0.01350 32 2S -0.02923 0.09041 -0.00320 -0.10523 -0.12726 33 2PX 0.05431 0.18082 0.06027 0.00569 0.04719 34 2PY 0.14486 -0.01032 0.16382 0.33767 -0.03859 35 2PZ -0.09665 0.25181 0.05711 -0.43038 -0.09389 36 3S 0.03040 -0.42676 -0.55277 -0.47241 -0.59009 37 3PX -0.08095 -0.08149 0.15239 -0.08462 -0.19503 38 3PY -0.53793 0.39382 -0.46195 -0.87080 -0.29771 39 3PZ 0.34770 -0.79398 0.09151 1.54106 0.62825 40 4XX 0.00079 0.01235 0.01931 -0.02445 0.00862 41 4YY -0.01193 -0.01214 -0.03783 -0.06677 -0.01528 42 4ZZ -0.01131 0.01989 -0.00943 0.03189 -0.05744 43 4XY 0.00732 0.01968 -0.00395 0.02130 0.00983 44 4XZ -0.05323 -0.01538 -0.04254 0.01753 0.00595 45 4YZ -0.00117 -0.00208 0.01263 0.02897 0.04328 46 4 C 1S 0.00395 0.00804 0.00063 0.00129 -0.00133 47 2S 0.03177 -0.09188 -0.14537 -0.16472 -0.25029 48 2PX -0.09778 0.03085 0.07694 -0.02631 -0.04712 49 2PY -0.10917 0.13474 0.07714 0.13594 0.20410 50 2PZ 0.12546 -0.10589 0.09307 0.07575 0.06162 51 3S 0.04810 0.00261 0.74406 1.03655 1.30544 52 3PX 0.01772 -0.29341 -0.36234 0.42156 0.42827 53 3PY 0.27829 -0.51352 0.03177 0.38417 0.01915 54 3PZ -0.42637 0.57339 -0.28834 -0.21392 -0.24220 55 4XX 0.00281 0.01923 -0.01755 -0.00844 -0.04539 56 4YY 0.00008 0.01164 0.01695 0.02147 0.00998 57 4ZZ 0.02207 -0.04674 -0.00165 -0.01014 0.02028 58 4XY -0.01463 0.02971 0.02983 -0.01342 0.00189 59 4XZ -0.00114 -0.00139 -0.00377 -0.01158 -0.00986 60 4YZ -0.01312 -0.00111 -0.02718 -0.01335 -0.01695 61 5 C 1S -0.00968 -0.00936 -0.00013 0.00855 0.00346 62 2S 0.28092 -0.36656 0.00621 -0.04277 -0.10514 63 2PX 0.04450 -0.25982 -0.08787 -0.03850 -0.10579 64 2PY -0.27090 0.06709 -0.01890 0.21919 0.14906 65 2PZ -0.22343 0.05045 0.07996 0.39540 0.33237 66 3S -1.08171 0.98121 -0.28867 -0.86714 0.02683 67 3PX 0.10436 0.32341 0.38833 0.15735 0.61710 68 3PY 0.29035 -0.46694 -0.39965 -0.88065 -0.10833 69 3PZ 0.48348 0.12693 -0.67010 -1.29658 -1.06755 70 4XX 0.03987 -0.03472 0.02555 -0.02391 0.02227 71 4YY 0.01516 -0.02556 0.00565 -0.00769 -0.01221 72 4ZZ -0.03806 -0.00178 -0.04001 -0.00955 -0.03423 73 4XY 0.01134 -0.01053 -0.02962 0.01052 -0.02965 74 4XZ 0.01515 -0.05020 -0.02397 -0.00187 0.00758 75 4YZ -0.02231 0.02628 -0.01820 0.02044 0.02520 76 6 C 1S -0.00894 -0.01382 -0.01370 0.00013 0.00107 77 2S 0.10267 -0.36966 0.19535 -0.15396 -0.14674 78 2PX -0.03460 -0.31290 0.00660 0.07497 -0.03340 79 2PY 0.00877 -0.02719 -0.18741 -0.04827 -0.07918 80 2PZ -0.28871 0.11239 -0.56833 -0.07099 0.07595 81 3S -0.31322 1.20975 0.07797 1.33239 0.61122 82 3PX 0.32828 0.96608 -0.09094 -0.34245 -0.00787 83 3PY -0.13163 -0.11144 0.59610 0.02727 0.38646 84 3PZ 0.55712 -0.10478 1.71159 0.92126 0.37485 85 4XX 0.00427 -0.03859 0.02392 -0.00471 -0.03916 86 4YY 0.00875 -0.03821 0.04744 -0.00384 -0.02437 87 4ZZ -0.00969 0.01514 -0.02833 0.02346 0.05869 88 4XY 0.00558 -0.01214 0.00679 -0.03002 0.00738 89 4XZ 0.02242 -0.01984 0.02007 0.00821 -0.02050 90 4YZ -0.01297 0.00432 -0.00007 0.04184 0.00957 91 7 C 1S -0.00433 0.00952 0.00604 0.00163 -0.00531 92 2S 0.21593 -0.07806 0.02741 0.27635 -0.03378 93 2PX -0.24513 -0.06168 -0.12517 0.08407 0.05350 94 2PY 0.17843 -0.13945 -0.09982 -0.04730 -0.00830 95 2PZ -0.06221 0.03406 -0.12312 -0.18797 0.14476 96 3S -0.31737 0.21558 -0.47992 -1.38003 0.11736 97 3PX 0.74186 0.38593 0.17428 -0.71396 -0.58777 98 3PY -0.45890 0.59052 0.63864 0.40722 0.15178 99 3PZ 0.05544 -0.05533 0.38989 0.01179 -0.53230 100 4XX -0.00117 0.03299 -0.00557 0.03268 -0.00116 101 4YY 0.01167 -0.02420 -0.00431 -0.04164 -0.02781 102 4ZZ 0.02530 -0.01329 0.00303 0.02020 0.00854 103 4XY 0.00249 -0.00628 0.02972 0.02763 0.00209 104 4XZ 0.00243 0.02095 -0.00853 0.00354 0.03204 105 4YZ 0.02230 -0.02850 -0.03381 0.04164 -0.04082 106 8 C 1S 0.01300 -0.00826 -0.00646 0.00487 -0.00291 107 2S 0.15868 0.11927 0.14320 -0.05817 0.18050 108 2PX 0.00454 -0.10722 -0.15293 0.07710 -0.01819 109 2PY -0.06710 -0.02248 -0.01127 -0.04783 0.01553 110 2PZ -0.07698 -0.10506 0.16187 -0.18812 -0.16421 111 3S -0.19423 -0.15987 0.08543 0.24699 -0.58425 112 3PX -0.08971 0.47189 0.53813 0.05375 0.00155 113 3PY 0.36025 0.22879 0.28526 -0.17940 -0.35976 114 3PZ 0.40537 -0.00521 -0.30931 0.63332 0.61321 115 4XX 0.03688 0.01533 -0.04076 -0.01579 -0.01471 116 4YY 0.00406 0.08531 0.04268 0.01090 0.02778 117 4ZZ 0.00859 -0.08076 0.02535 0.00403 0.00741 118 4XY 0.00323 -0.04049 0.00793 0.02816 0.00505 119 4XZ 0.01026 -0.00640 0.05833 -0.02056 -0.01419 120 4YZ -0.00627 0.07469 0.03199 0.00684 -0.01511 121 9 C 1S 0.00683 -0.00780 0.00100 -0.00596 -0.00407 122 2S 0.09512 0.06413 0.08815 -0.06888 0.05609 123 2PX -0.19052 0.00146 -0.11726 0.02187 -0.10893 124 2PY 0.13974 -0.12574 -0.01324 0.04606 0.01016 125 2PZ 0.36272 -0.05711 0.21651 0.05034 0.10322 126 3S -0.09560 -0.07101 -0.40174 -0.02388 -0.37182 127 3PX 0.31245 0.13338 0.05654 -0.09119 0.21605 128 3PY -0.30753 0.27345 0.01870 -0.40149 -0.22814 129 3PZ -0.94342 -0.24200 -0.70532 0.05844 -0.16992 130 4XX -0.00832 -0.01452 -0.00465 0.00733 0.01762 131 4YY 0.03488 -0.04814 0.00812 -0.00939 0.01020 132 4ZZ 0.00034 0.07317 0.00458 -0.02260 -0.03199 133 4XY 0.00855 0.03327 0.00239 -0.01653 -0.01403 134 4XZ 0.00791 0.00331 -0.01939 -0.01719 -0.01916 135 4YZ 0.03072 -0.10689 -0.03508 0.01831 -0.00634 136 10 H 1S 0.19578 -0.42989 -0.12079 -0.00048 -0.06801 137 2S -0.73782 0.44448 -0.13475 -0.16096 -0.07264 138 11 H 1S -0.05018 0.14703 0.07356 -0.06268 -0.03793 139 2S 0.54565 -0.00517 0.25394 -0.12472 0.16858 140 12 H 1S 0.14225 0.12195 -0.20505 0.00494 -0.04295 141 2S -0.19232 0.08257 0.56607 -0.07366 0.14161 142 13 H 1S 0.03647 -0.44369 0.03378 0.10740 -0.02595 143 2S 0.31121 0.47406 -0.27519 0.29561 0.49054 144 14 H 1S -0.07133 0.06073 0.03931 -0.19413 0.05458 145 2S 0.52033 -0.36557 -0.17588 0.28415 -0.30768 146 15 C 1S 0.01256 -0.00463 0.00066 0.00128 -0.00187 147 2S 0.18258 0.06260 0.28147 0.13590 0.10326 148 2PX 0.04666 0.05984 -0.03061 0.04070 -0.05001 149 2PY 0.09241 -0.00996 0.02340 -0.10257 -0.06402 150 2PZ -0.10300 -0.09497 -0.07325 -0.05800 0.05801 151 3S -0.30035 -0.89628 -1.38799 -0.77199 -0.45484 152 3PX 0.01090 -0.03566 0.53752 -0.12350 0.20927 153 3PY 0.28775 0.54550 -0.11496 0.60721 0.21142 154 3PZ 0.07575 0.21385 -0.07210 -0.14217 -0.10956 155 4XX -0.01648 -0.01927 0.03294 0.02658 0.02437 156 4YY 0.06535 -0.00690 -0.02450 -0.00674 -0.01051 157 4ZZ -0.00726 0.00778 -0.00969 -0.02685 -0.02077 158 4XY 0.00952 -0.02975 0.00691 0.00413 -0.02479 159 4XZ -0.00462 -0.02198 -0.02517 -0.03421 -0.02426 160 4YZ -0.00547 0.00019 -0.01198 0.00693 -0.00379 161 16 O 1S 0.00061 -0.00312 0.00053 -0.00147 -0.00027 162 2S 0.01983 -0.12819 -0.05233 0.00622 0.07914 163 2PX 0.09852 0.08042 0.03584 0.01090 0.00773 164 2PY -0.04043 -0.05259 -0.12232 -0.07677 0.03472 165 2PZ -0.06273 -0.08582 -0.00986 0.06392 0.04141 166 3S -0.08642 0.41088 0.03644 0.00789 0.07678 167 3PX -0.07949 -0.13026 -0.03834 -0.07768 -0.08614 168 3PY 0.11906 0.11724 0.23089 0.34293 -0.09495 169 3PZ 0.03113 0.01184 -0.01171 -0.20141 -0.04562 170 4XX 0.02476 -0.02905 -0.00800 0.00390 0.00672 171 4YY -0.02031 -0.04131 -0.04294 -0.02003 0.03361 172 4ZZ 0.01004 -0.01961 0.00792 0.01798 0.04008 173 4XY 0.00335 0.01015 0.01303 -0.01470 0.00369 174 4XZ 0.00122 0.03320 -0.00246 0.01211 0.02363 175 4YZ 0.00511 0.02394 -0.01908 -0.01534 -0.03452 176 17 C 1S 0.01028 -0.00933 0.00038 -0.00331 -0.00582 177 2S -0.00596 -0.09267 -0.21550 -0.23265 -0.01735 178 2PX 0.11379 0.06004 0.09841 -0.03007 -0.08901 179 2PY -0.11697 -0.04533 -0.01663 -0.00823 0.08169 180 2PZ 0.06359 -0.02540 0.03221 0.11262 0.01382 181 3S 0.19871 -0.27679 0.63546 1.33282 -0.04754 182 3PX -0.01577 0.04351 -0.29235 -0.28549 -0.01479 183 3PY 0.22128 0.17982 0.04944 0.41153 -0.24844 184 3PZ -0.10819 0.11120 0.07485 -0.25986 0.27452 185 4XX -0.02010 -0.03500 -0.06811 -0.00852 -0.02003 186 4YY 0.02166 0.00273 0.04084 0.01336 -0.01250 187 4ZZ 0.02401 0.00632 0.01481 0.00701 0.00493 188 4XY -0.02469 -0.01246 -0.00534 -0.00042 0.03453 189 4XZ 0.03140 -0.03853 0.01381 0.02277 0.01124 190 4YZ -0.01112 -0.00118 0.03338 -0.01169 0.03146 191 18 O 1S 0.00312 0.00115 0.00400 0.00027 0.00148 192 2S -0.04987 -0.04580 0.06661 0.01026 0.04649 193 2PX -0.05728 0.08396 0.00983 -0.02268 0.00475 194 2PY 0.07542 -0.02400 -0.01947 0.04521 -0.11938 195 2PZ -0.07932 -0.01052 -0.04278 -0.04953 0.01094 196 3S 0.06543 0.12255 -0.23135 -0.03133 -0.20518 197 3PX 0.10193 -0.07733 0.07586 0.06445 0.00699 198 3PY -0.20550 0.04579 -0.01273 -0.13318 0.16323 199 3PZ 0.17553 -0.02316 0.06414 0.08029 -0.07907 200 4XX -0.03664 -0.00311 -0.00070 -0.00615 0.02096 201 4YY -0.01955 -0.01111 0.02831 -0.00196 0.03147 202 4ZZ -0.01750 -0.00057 0.03715 -0.00341 0.01503 203 4XY -0.00441 0.00191 -0.01017 -0.01027 -0.00710 204 4XZ -0.00268 0.01856 0.00695 -0.00722 0.00610 205 4YZ -0.00200 0.00474 0.02312 0.02160 0.01447 206 19 O 1S 0.00803 0.00490 -0.00720 0.00272 -0.00016 207 2S -0.10638 -0.08299 -0.04332 -0.04143 0.00644 208 2PX -0.07746 0.03329 0.11342 -0.07301 -0.05593 209 2PY -0.12558 0.03688 0.05248 0.05487 0.01697 210 2PZ 0.13243 -0.00736 -0.13877 0.18155 -0.00489 211 3S -0.02672 0.01164 0.44994 -0.08286 -0.02853 212 3PX 0.09194 0.01598 -0.24013 0.11514 0.05304 213 3PY 0.32969 -0.05257 -0.17516 -0.09502 -0.05616 214 3PZ -0.18010 -0.02851 0.19935 -0.17286 0.04215 215 4XX -0.03406 -0.00906 -0.00084 0.01513 0.00984 216 4YY -0.03703 -0.00965 0.02367 -0.01070 0.00182 217 4ZZ -0.04387 -0.02078 -0.05736 -0.02130 -0.00075 218 4XY -0.00428 0.01163 -0.00890 -0.00457 0.01367 219 4XZ 0.00899 0.02070 -0.00077 0.00662 -0.00782 220 4YZ -0.00051 0.00330 0.00342 -0.00028 0.00435 221 20 H 1S -0.06420 0.14467 -0.19961 0.18931 0.25257 222 2S 0.46709 -0.50696 1.30801 0.17144 -0.24494 223 21 H 1S -0.31104 0.11727 -0.16333 0.06762 0.08631 224 2S 0.80225 -0.56755 -0.31168 -0.88918 -0.68244 225 22 H 1S 0.01138 0.03373 0.10965 0.08132 0.16428 226 2S 0.20592 -0.40413 -0.13428 -0.16126 -0.39735 227 23 H 1S -0.05151 0.06398 -0.09224 0.17912 -0.25797 228 2S -0.24326 0.54397 0.03033 -1.17488 -0.03584 229 24 H 1S 0.26721 0.29122 -0.38299 0.45284 -0.16632 230 2S -0.80805 -0.60176 0.69378 -0.53982 0.27559 231 25 H 1S -0.34850 -0.00699 0.45395 0.28286 -0.41121 232 2S 1.03837 0.52267 -0.46177 -0.54427 0.40433 233 26 H 1S 0.12096 -0.00399 0.11924 -0.26332 0.68421 234 2S -0.04994 0.25081 -0.05931 0.48810 -0.96351 121 122 123 124 125 V V V V V Eigenvalues -- 0.90467 0.91146 0.92739 0.93221 0.94335 1 1 C 1S 0.01042 0.01745 -0.03347 0.02013 -0.00369 2 2S -0.18450 -0.61456 0.24334 -0.29832 -0.65827 3 2PX 0.00293 0.03433 -0.07052 0.10595 0.07085 4 2PY -0.20756 -0.05307 0.05315 -0.03683 -0.23648 5 2PZ -0.06823 -0.34959 0.21297 -0.20739 0.11957 6 3S 0.85859 1.08770 -0.31974 0.65064 0.68635 7 3PX 0.20619 0.08485 0.22826 -0.23825 0.01159 8 3PY 0.10808 0.19381 0.03755 0.03491 0.83064 9 3PZ 0.10221 0.64174 -0.56520 0.25440 0.26369 10 4XX -0.01882 -0.04619 -0.00692 0.00001 0.04274 11 4YY -0.01112 -0.04843 0.03592 -0.03146 -0.10618 12 4ZZ 0.01987 0.01405 -0.02342 0.00757 -0.06065 13 4XY 0.00431 -0.00336 -0.00203 -0.03229 0.01612 14 4XZ 0.01742 0.02171 0.01565 0.00907 0.03866 15 4YZ -0.00946 -0.04094 0.02034 -0.01753 -0.03690 16 2 C 1S -0.00769 -0.00958 0.00107 -0.00311 -0.02032 17 2S -0.11712 0.32122 -0.12619 0.13182 -0.55082 18 2PX 0.09774 0.18438 0.10760 -0.03679 0.20525 19 2PY 0.02221 -0.16629 -0.01611 0.07138 -0.27252 20 2PZ 0.10615 -0.02634 -0.09263 -0.05166 0.00599 21 3S 0.42335 -1.82704 0.86654 -0.57704 1.78287 22 3PX -0.21468 -0.56412 -0.04281 0.15694 -0.74151 23 3PY -0.33473 0.69626 -0.78799 -0.14364 1.16357 24 3PZ -1.23198 0.63398 0.30074 0.51633 -0.28295 25 4XX 0.00811 0.02615 -0.01662 0.00468 -0.00891 26 4YY -0.03123 -0.01946 0.01372 0.00451 -0.05053 27 4ZZ 0.00856 -0.00181 -0.00350 -0.00397 -0.03687 28 4XY -0.00427 0.01131 -0.03130 0.01871 0.02105 29 4XZ 0.00079 -0.00295 -0.01428 0.00873 -0.01510 30 4YZ 0.00926 0.00728 0.00266 -0.00532 -0.05106 31 3 C 1S -0.00080 0.00540 0.00022 0.00296 -0.00468 32 2S 0.29292 -0.55003 -0.34303 0.03945 -0.11580 33 2PX 0.14312 0.01000 -0.01891 0.01282 -0.01112 34 2PY -0.14681 -0.14248 0.18889 -0.04761 0.05927 35 2PZ 0.02947 -0.09195 -0.30745 0.08076 -0.16633 36 3S -1.16974 2.25232 0.37135 -0.20493 0.91590 37 3PX -0.32621 0.13791 0.19505 -0.05750 0.18502 38 3PY 1.21273 0.15758 -1.02046 -0.03067 -0.25910 39 3PZ 0.24149 -0.74192 0.89236 -0.47831 0.39962 40 4XX 0.01617 -0.03504 -0.03176 0.00928 0.00648 41 4YY 0.03228 -0.00767 -0.05663 0.00191 0.02006 42 4ZZ -0.01498 -0.00947 0.02083 0.00664 -0.04339 43 4XY 0.01004 -0.01006 0.01162 0.00045 -0.03589 44 4XZ -0.00990 -0.00773 -0.01871 0.01205 -0.03210 45 4YZ 0.00408 -0.02137 -0.00329 0.01140 -0.01047 46 4 C 1S 0.00550 0.00607 -0.00887 0.00570 0.00103 47 2S -0.07798 -0.01602 -0.36501 0.25143 0.02165 48 2PX 0.02606 -0.04891 -0.07652 -0.02455 -0.01004 49 2PY 0.21326 0.22170 0.31746 -0.10402 -0.05123 50 2PZ -0.26468 -0.06064 0.00247 -0.04226 0.11593 51 3S 0.63512 -0.50442 0.78424 -1.08399 -0.08024 52 3PX -0.30536 -0.09038 -0.04235 0.10383 -0.27886 53 3PY 0.06921 -1.19449 -0.52558 -0.00485 0.16449 54 3PZ 1.48802 -0.36004 -0.56371 0.20096 -0.64328 55 4XX -0.02649 0.05769 -0.04312 0.02206 -0.05830 56 4YY -0.01184 -0.01017 0.01983 -0.00308 0.02357 57 4ZZ 0.03711 -0.07054 -0.05199 0.00108 0.04409 58 4XY -0.02599 0.01015 -0.02174 -0.02054 0.03578 59 4XZ -0.01618 0.01868 -0.00982 -0.02189 0.02241 60 4YZ 0.00631 0.02294 -0.03141 0.00925 -0.01884 61 5 C 1S -0.01015 0.00571 -0.00308 -0.00073 -0.00929 62 2S 0.06589 -0.13797 -0.00461 0.12601 -0.11053 63 2PX 0.03927 -0.02040 -0.04306 0.04766 -0.03890 64 2PY 0.05961 0.01916 -0.02599 -0.07248 -0.03753 65 2PZ 0.01238 -0.04734 -0.08976 -0.13553 -0.00364 66 3S 0.03882 0.08553 -0.34465 -0.24607 0.48117 67 3PX -0.71203 -0.35801 0.24094 -0.35658 0.33336 68 3PY -0.51186 0.07183 0.19296 0.04655 0.45870 69 3PZ -0.19211 0.40328 0.54953 0.53535 0.32859 70 4XX 0.00338 -0.08983 -0.00877 0.00522 0.03952 71 4YY -0.00656 0.01393 0.02077 -0.00080 -0.00004 72 4ZZ -0.00391 0.05615 -0.02578 0.01485 -0.04461 73 4XY 0.05563 0.01169 0.00847 0.02081 -0.04335 74 4XZ 0.00927 -0.03950 -0.00581 0.00223 -0.00660 75 4YZ -0.05260 0.03426 0.02198 -0.02589 0.06473 76 6 C 1S -0.00008 -0.01123 -0.00812 0.00474 0.00536 77 2S 0.00206 0.09826 -0.05356 -0.08943 -0.01041 78 2PX -0.04799 -0.04883 -0.07807 0.01071 -0.13286 79 2PY 0.00133 0.03164 -0.02156 0.04383 0.06340 80 2PZ -0.08810 0.04617 0.08198 0.16991 0.04296 81 3S -0.07413 0.06175 0.23862 0.40481 -0.88815 82 3PX -0.04197 0.30218 0.40343 -0.07763 0.93231 83 3PY -0.25114 -0.14906 -0.30098 -0.22908 -0.11773 84 3PZ 0.47854 -0.36012 -0.08873 -0.67089 -0.23381 85 4XX -0.02851 0.06086 0.00528 -0.01841 0.00759 86 4YY 0.00970 0.01539 -0.01888 0.01081 -0.06902 87 4ZZ 0.01245 -0.07276 -0.00467 0.00361 0.04123 88 4XY -0.07671 0.02348 0.00921 -0.00973 0.04267 89 4XZ 0.03156 0.02773 0.00511 -0.00095 -0.02035 90 4YZ 0.04140 -0.01080 -0.02994 0.01925 -0.04842 91 7 C 1S 0.00717 0.00004 -0.00642 0.00464 -0.00231 92 2S 0.00620 -0.01771 -0.50417 0.10658 -0.17874 93 2PX -0.00297 -0.01273 0.11079 0.03792 -0.13772 94 2PY -0.30573 -0.09036 -0.29667 0.05639 -0.02529 95 2PZ 0.12550 -0.05085 0.23471 -0.08955 0.14347 96 3S -0.64144 0.58601 1.68600 0.13025 0.45299 97 3PX 0.02638 0.40080 -0.22902 -0.05123 0.88789 98 3PY 0.77714 0.04248 0.59186 0.00630 -0.56485 99 3PZ -1.03500 1.11372 -0.47036 0.62677 -0.92976 100 4XX 0.03122 -0.03759 -0.05092 0.03393 -0.00948 101 4YY -0.03280 0.03339 0.01301 -0.01271 0.02630 102 4ZZ -0.02402 0.02034 -0.03007 0.01899 -0.03235 103 4XY 0.04331 -0.03459 -0.02821 0.02354 -0.02359 104 4XZ -0.02518 -0.02571 0.01151 0.02036 0.00533 105 4YZ -0.02828 0.01668 -0.00407 0.01310 0.04438 106 8 C 1S 0.01370 0.00459 -0.00898 -0.02362 -0.00096 107 2S -0.46419 -0.25825 0.14689 0.64829 0.19092 108 2PX 0.33745 0.07426 -0.05841 -0.29719 -0.25383 109 2PY -0.02918 -0.12606 0.02763 0.09603 0.05220 110 2PZ 0.21019 0.25110 0.08038 -0.25551 0.12142 111 3S 1.40087 0.52857 -0.53455 -1.39652 -0.49698 112 3PX -0.53525 0.27552 0.11691 0.66682 0.15838 113 3PY -0.17473 0.78374 -0.26369 -0.14811 -0.08932 114 3PZ -0.06793 -0.84370 -0.12666 0.38200 -0.07697 115 4XX -0.03985 0.03621 0.02526 0.02208 -0.00179 116 4YY -0.05674 -0.04150 -0.01296 0.06813 0.00875 117 4ZZ 0.04640 -0.03500 -0.01660 -0.02399 0.02008 118 4XY -0.00968 -0.02238 -0.01403 0.03431 0.02385 119 4XZ 0.01641 -0.03124 -0.00369 0.03307 0.01503 120 4YZ 0.05313 0.00591 -0.01416 -0.00298 -0.03281 121 9 C 1S 0.00893 0.00059 0.01127 0.02140 0.00499 122 2S -0.41767 0.05426 -0.41680 -0.63104 0.20316 123 2PX 0.25688 0.05445 0.03421 0.25129 -0.20337 124 2PY 0.32038 -0.04588 0.28962 0.29879 -0.01585 125 2PZ -0.02722 0.08190 0.19877 -0.01078 0.10943 126 3S 1.03959 0.14409 0.62977 1.71646 -0.75177 127 3PX 0.02001 -0.57489 -0.22902 -0.37302 0.26563 128 3PY -0.69055 0.68334 -0.36375 -0.61397 0.09084 129 3PZ -0.04661 -0.18250 -0.36520 0.13650 -0.27023 130 4XX 0.01106 -0.03976 -0.05023 -0.04198 0.04527 131 4YY -0.05898 0.00820 -0.01133 -0.02956 0.01867 132 4ZZ -0.01284 0.04622 0.00010 0.01661 -0.03439 133 4XY 0.05043 -0.00954 0.00094 -0.00124 -0.01935 134 4XZ -0.05855 0.04153 -0.04502 -0.02873 -0.02138 135 4YZ 0.00494 0.02638 0.03601 0.02475 -0.01901 136 10 H 1S 0.11186 0.11677 0.36886 0.40754 -0.02567 137 2S -0.50104 0.04771 -0.85522 -0.88713 0.10883 138 11 H 1S 0.42477 -0.19379 0.19565 0.34660 0.03850 139 2S -0.78798 0.18975 -0.34514 -0.95432 0.32420 140 12 H 1S 0.17310 0.31112 -0.02274 -0.40790 -0.21456 141 2S -0.55934 -0.31670 0.20125 0.97951 0.49519 142 13 H 1S 0.35632 0.05746 -0.14659 -0.45442 -0.00143 143 2S -0.71231 -0.56682 0.13859 0.99115 -0.02733 144 14 H 1S 0.03496 0.12972 0.28542 -0.03591 0.04669 145 2S -0.51642 -0.00308 -1.08910 0.25846 0.06560 146 15 C 1S 0.00319 0.00226 -0.00540 -0.00356 0.00031 147 2S -0.06639 0.16309 -0.05106 -0.02642 -0.11462 148 2PX 0.01408 0.04232 0.02214 0.00529 -0.04902 149 2PY 0.10520 -0.09682 -0.02003 -0.04400 0.13892 150 2PZ -0.06075 -0.05315 0.01348 0.02926 -0.02501 151 3S 0.60377 -0.91264 -0.23852 0.10649 0.43086 152 3PX 0.07443 -0.31200 -0.19875 -0.21793 0.18632 153 3PY -0.30957 0.60637 0.43395 0.06589 -0.06611 154 3PZ 0.06565 0.06004 -0.12845 -0.01768 0.19802 155 4XX 0.01131 -0.01762 -0.01206 -0.00453 -0.04052 156 4YY 0.06106 -0.02847 -0.03464 -0.01383 0.02571 157 4ZZ -0.04055 0.03450 0.01585 0.01081 0.00618 158 4XY -0.01778 0.03677 -0.00429 0.01147 -0.03807 159 4XZ -0.04620 0.05157 0.00156 0.01039 -0.00230 160 4YZ -0.03082 0.03017 0.00282 0.00162 0.02654 161 16 O 1S -0.00027 -0.00023 -0.00199 0.00100 -0.00272 162 2S -0.03603 -0.01072 0.05721 -0.04342 0.12935 163 2PX 0.01429 0.05382 0.04404 -0.01125 0.15895 164 2PY 0.07093 -0.14112 0.02294 -0.03805 0.02095 165 2PZ -0.04586 0.05251 0.11100 -0.03377 -0.22670 166 3S -0.04054 0.00612 0.06906 -0.03904 0.01364 167 3PX 0.07147 -0.11761 -0.13293 0.03209 -0.23793 168 3PY -0.21988 0.49548 0.07082 0.15373 -0.29204 169 3PZ 0.11407 -0.21535 -0.19048 0.00309 0.36120 170 4XX -0.00611 0.01616 0.01271 -0.00013 0.01257 171 4YY -0.03983 0.01493 0.03586 -0.01824 0.06344 172 4ZZ 0.01179 -0.03891 0.01092 -0.02402 0.05122 173 4XY 0.02291 -0.03717 -0.01455 -0.01330 0.02268 174 4XZ -0.01461 0.00691 0.01626 -0.00584 0.01249 175 4YZ -0.01738 0.04808 0.01321 0.01368 -0.00383 176 17 C 1S -0.00632 -0.00228 0.00199 0.00420 -0.00563 177 2S -0.11380 -0.19553 -0.01010 0.03561 0.03029 178 2PX 0.04901 0.04869 0.02967 0.01499 0.00226 179 2PY 0.03340 -0.08626 -0.05638 -0.04677 0.04445 180 2PZ -0.08788 0.10512 0.03285 -0.00387 -0.01672 181 3S 0.27823 1.05817 -0.07032 0.14837 -0.90308 182 3PX -0.33367 0.00337 0.17598 0.04058 0.17913 183 3PY -0.18478 0.46575 0.10108 0.34893 -0.70392 184 3PZ 0.05339 -0.43350 -0.01464 -0.22245 0.36634 185 4XX 0.00310 0.01257 -0.00021 0.01454 -0.02935 186 4YY -0.01140 0.01023 0.00099 0.00582 -0.03351 187 4ZZ -0.00902 -0.00659 0.00122 0.00360 0.00402 188 4XY -0.00010 -0.03668 -0.01176 -0.00807 0.01793 189 4XZ 0.02313 -0.05441 -0.02304 0.00720 -0.01720 190 4YZ 0.03567 -0.08113 -0.02983 -0.02462 0.05014 191 18 O 1S -0.00080 0.00292 0.00224 -0.00302 0.00652 192 2S -0.02555 0.01077 -0.03488 -0.01054 0.04094 193 2PX 0.04216 -0.11388 -0.01716 -0.00793 -0.08179 194 2PY 0.00159 0.15012 -0.07447 0.08862 -0.12348 195 2PZ 0.12702 -0.03533 -0.15130 -0.01784 0.22840 196 3S 0.02061 -0.03318 0.01802 0.16620 -0.28780 197 3PX -0.03021 0.16887 0.02964 -0.02220 0.10749 198 3PY 0.06754 -0.27986 0.03640 -0.14425 0.23787 199 3PZ -0.19442 0.17523 0.22490 0.03581 -0.28206 200 4XX -0.00795 0.00860 -0.00104 -0.01027 0.02670 201 4YY 0.00795 -0.03672 -0.03073 -0.01269 0.04145 202 4ZZ 0.00370 0.00099 -0.00578 -0.01417 0.03447 203 4XY 0.01561 -0.01669 -0.01198 0.00403 -0.00599 204 4XZ -0.00156 -0.01175 0.00078 -0.00393 0.01219 205 4YZ 0.00704 0.00215 -0.00222 -0.00964 0.00427 206 19 O 1S 0.00219 0.00067 0.00325 -0.00006 0.00754 207 2S -0.05027 -0.05755 -0.02106 0.01598 0.04850 208 2PX -0.06261 -0.01344 0.01965 -0.01062 -0.21920 209 2PY -0.15820 0.13143 0.06535 0.05385 -0.03721 210 2PZ 0.10879 0.03460 -0.19244 0.14562 0.03654 211 3S 0.04325 0.02625 -0.13754 -0.05075 -0.24099 212 3PX 0.06297 0.06294 0.02504 0.04475 0.25186 213 3PY 0.33763 -0.25000 -0.09997 -0.09896 0.19311 214 3PZ -0.13209 -0.07204 0.24582 -0.16652 -0.10643 215 4XX -0.01897 -0.00607 -0.00014 0.00614 -0.00138 216 4YY -0.03137 -0.00330 0.00329 0.00259 0.01848 217 4ZZ -0.03312 -0.00455 0.01086 0.01618 0.02633 218 4XY 0.00504 -0.00952 0.00867 -0.00503 0.02646 219 4XZ -0.01650 0.03166 -0.00318 0.00990 -0.00394 220 4YZ 0.00942 -0.01032 0.00738 -0.00419 -0.00995 221 20 H 1S 0.01874 -0.24236 0.01342 0.07357 0.11403 222 2S 0.23888 0.19361 -0.15610 -0.57228 -0.24898 223 21 H 1S -0.22627 0.25603 0.04790 -0.12525 0.16661 224 2S 0.14035 -0.18972 0.26309 0.55105 -0.05571 225 22 H 1S 0.15686 0.01501 0.23126 -0.11864 0.09939 226 2S -0.53649 -0.34307 -0.63904 0.23734 0.19011 227 23 H 1S -0.05708 0.17087 0.13765 0.02388 -0.10144 228 2S 0.38038 -0.09902 -0.97569 0.31862 -0.27853 229 24 H 1S 0.08358 0.09607 -0.23556 0.05978 0.08140 230 2S -0.27127 -0.29789 0.02671 0.04492 -0.64995 231 25 H 1S 0.10631 0.17460 -0.24456 0.27067 0.30094 232 2S -0.07867 -0.26771 0.25971 -0.45720 -0.75006 233 26 H 1S 0.19085 0.41385 -0.37607 0.27858 -0.04145 234 2S -0.36926 -0.98945 0.72489 -0.51373 -0.18096 126 127 128 129 130 V V V V V Eigenvalues -- 0.96609 0.97468 0.98379 0.99516 1.02084 1 1 C 1S -0.00307 -0.00382 0.00654 -0.00459 0.02122 2 2S 0.33748 0.18182 -0.30316 0.35559 -0.13679 3 2PX -0.07105 -0.08861 -0.05103 0.01687 -0.05121 4 2PY 0.13768 0.10382 -0.10920 0.03705 -0.12038 5 2PZ -0.01183 -0.00128 0.05398 0.10960 -0.13627 6 3S -0.72105 -0.46113 0.06731 -0.77138 0.42733 7 3PX 0.12451 0.02240 -0.14547 0.12200 0.19559 8 3PY -0.30547 -0.24935 0.27309 -0.23252 0.32281 9 3PZ -0.06044 -0.05724 0.48556 0.11305 -0.04998 10 4XX -0.00503 0.00536 0.01347 0.00448 -0.00680 11 4YY 0.02717 0.02539 -0.03498 0.01079 0.03691 12 4ZZ 0.02564 -0.00085 -0.02234 0.03018 -0.02481 13 4XY -0.01584 0.00040 0.03585 -0.02783 0.03041 14 4XZ -0.01955 -0.03174 -0.04797 0.03024 0.00592 15 4YZ 0.02281 0.00473 -0.00807 0.01772 -0.02353 16 2 C 1S 0.01264 0.00563 0.00307 -0.00175 -0.00123 17 2S 0.51044 0.20745 0.27282 0.15204 0.06651 18 2PX 0.04776 -0.18172 -0.16443 0.05231 0.10681 19 2PY -0.00283 -0.02961 -0.37629 -0.17714 0.22834 20 2PZ -0.10157 -0.04530 0.13312 0.16078 -0.14647 21 3S -1.41472 -1.22064 -1.99841 -0.26211 0.08114 22 3PX -0.01041 0.35114 0.01273 -0.35137 -0.09298 23 3PY -0.04713 0.12061 2.36692 1.17824 -0.93218 24 3PZ 0.67663 0.64972 -0.44230 -1.81436 1.05623 25 4XX -0.03406 0.02022 0.01817 -0.00412 -0.00578 26 4YY 0.05755 -0.00161 -0.01503 -0.03237 -0.00023 27 4ZZ 0.01648 0.00703 -0.00512 0.05547 0.00916 28 4XY 0.00043 0.00442 0.01337 0.00103 -0.01799 29 4XZ 0.01942 0.00852 0.01650 -0.04375 0.00885 30 4YZ 0.00368 0.02288 0.03087 0.01363 -0.00246 31 3 C 1S 0.00409 -0.00236 0.00131 0.00172 0.00013 32 2S 0.21420 -0.43712 -0.09707 -0.07013 0.18174 33 2PX 0.11528 0.07145 0.18236 0.16248 -0.00730 34 2PY 0.02999 0.03179 -0.13671 -0.19688 0.02269 35 2PZ -0.04869 -0.00112 0.11521 0.01887 -0.01995 36 3S -0.15285 2.00388 1.78916 1.04733 -0.80705 37 3PX -0.14360 -0.08831 -0.56828 -0.48883 0.22539 38 3PY -0.12225 -0.63991 1.42855 1.58577 -0.68146 39 3PZ -0.16598 -0.87890 -0.65594 0.05564 -0.12882 40 4XX -0.03137 -0.02121 -0.03396 -0.01098 -0.00440 41 4YY 0.02260 -0.01833 0.06287 0.04299 -0.01323 42 4ZZ 0.01655 0.01412 -0.01896 -0.03620 0.03432 43 4XY -0.02239 -0.00624 0.00294 -0.02319 0.00567 44 4XZ 0.00844 -0.05302 0.01655 -0.01885 -0.01146 45 4YZ -0.01066 0.00734 -0.04805 -0.01749 0.03585 46 4 C 1S 0.00588 -0.00263 -0.01693 0.00364 0.00870 47 2S 0.05175 0.36332 -0.26062 0.24352 0.23745 48 2PX -0.00231 0.11721 0.20223 0.03051 0.02909 49 2PY 0.10230 -0.06072 -0.02419 -0.09427 -0.03939 50 2PZ -0.07450 0.26157 0.00972 -0.04227 0.05514 51 3S 0.02217 -1.15919 0.72000 -0.38541 -0.66311 52 3PX 0.11518 -0.37001 -0.60228 -0.03387 -0.09970 53 3PY -0.08881 -1.08832 0.03257 0.45150 -0.32338 54 3PZ 0.00957 -1.31916 0.30741 0.87076 -0.38494 55 4XX -0.00347 0.07733 -0.02611 0.02834 0.02404 56 4YY -0.01006 -0.01517 -0.03602 -0.03321 0.01438 57 4ZZ 0.02466 -0.04269 0.00691 0.04360 -0.00805 58 4XY -0.00132 0.09072 -0.01060 0.02787 0.00527 59 4XZ 0.02304 0.00598 -0.00254 -0.01873 -0.00191 60 4YZ 0.00572 0.07149 -0.01073 0.04226 0.03402 61 5 C 1S 0.01135 -0.02111 0.00523 0.01284 0.00294 62 2S 0.20546 -0.44182 0.09824 0.17586 0.08838 63 2PX 0.14810 0.01620 0.25145 0.11214 -0.01154 64 2PY 0.06763 -0.17049 0.07536 -0.05215 -0.03513 65 2PZ 0.12923 0.12982 0.01378 0.02355 -0.05882 66 3S -0.46912 2.08158 -0.27892 -1.68020 0.75788 67 3PX -0.80667 -0.03046 -1.48651 -1.04627 0.41020 68 3PY 0.20980 1.93218 -0.05026 -1.07811 0.80553 69 3PZ -0.65546 -0.49591 -0.62528 -0.18243 0.48438 70 4XX -0.02612 -0.08657 0.01568 0.00155 -0.01285 71 4YY 0.06397 -0.04985 0.03155 -0.01222 0.04597 72 4ZZ -0.00403 0.10013 -0.04150 0.00769 0.02691 73 4XY 0.01410 -0.01546 -0.02008 0.03131 0.03172 74 4XZ -0.00605 -0.02980 -0.01258 -0.04524 0.00838 75 4YZ 0.00758 0.01148 -0.03311 0.02537 0.00748 76 6 C 1S 0.01738 0.00443 0.01147 -0.01081 0.01628 77 2S 0.37751 0.05616 0.18853 -0.14970 0.26123 78 2PX 0.16553 -0.12103 -0.04235 -0.14354 0.15186 79 2PY -0.00342 -0.09398 -0.16242 0.10635 0.03159 80 2PZ 0.12479 0.01718 -0.01417 -0.12011 -0.00597 81 3S -1.35704 -0.93572 -0.52990 1.50574 -1.14296 82 3PX -1.11326 -0.11830 0.89431 1.51003 -1.19945 83 3PY 0.12418 1.48980 1.11798 -0.63890 -0.04432 84 3PZ -0.62213 -0.68002 -0.00046 1.50869 -0.57641 85 4XX 0.02727 0.02739 0.04254 -0.02667 0.03466 86 4YY 0.00330 -0.02161 0.00524 -0.02159 0.00262 87 4ZZ 0.01225 -0.02242 -0.01135 0.07993 -0.00575 88 4XY -0.01435 0.00553 0.04540 0.00062 -0.05054 89 4XZ 0.04928 0.00517 0.02203 0.00310 0.02620 90 4YZ -0.03335 0.05271 -0.05628 0.04157 -0.00894 91 7 C 1S 0.01095 0.01058 -0.00354 0.01263 0.00434 92 2S 0.00833 0.13875 -0.27950 0.42006 0.15713 93 2PX 0.01272 -0.08846 -0.05338 -0.05829 0.03306 94 2PY -0.21965 -0.11533 -0.05484 0.15507 0.05043 95 2PZ -0.05191 -0.09828 -0.03669 0.10715 -0.13541 96 3S 0.32037 -0.26160 0.62670 -1.45957 -0.16662 97 3PX 0.27414 0.31364 0.37434 0.06698 0.01506 98 3PY 0.41597 0.48435 -0.68213 -0.39319 0.20055 99 3PZ 0.98469 0.98391 0.08253 -1.73117 1.07663 100 4XX -0.05358 0.00887 -0.06820 0.05575 0.02216 101 4YY 0.05656 0.00957 0.07551 -0.03930 -0.02705 102 4ZZ 0.02013 0.02291 -0.03234 0.03178 0.03128 103 4XY 0.00593 -0.00233 -0.02997 -0.00228 0.02496 104 4XZ -0.01749 -0.03066 -0.02058 0.05560 -0.03419 105 4YZ -0.00168 -0.01245 -0.01724 0.02208 0.00397 106 8 C 1S -0.00131 -0.00250 -0.00609 0.00825 -0.00075 107 2S 0.30987 0.05092 0.26649 -0.03732 -0.06032 108 2PX 0.12291 0.03217 -0.14684 -0.05677 0.04256 109 2PY -0.13714 -0.08415 -0.11068 0.07242 0.01979 110 2PZ -0.14649 -0.03823 -0.09647 0.11679 -0.02576 111 3S -0.21924 -0.18794 -0.96130 -0.06984 0.30615 112 3PX -0.17108 0.43683 0.32261 0.19779 -0.05972 113 3PY 0.69678 0.92436 0.52542 -0.50030 0.27345 114 3PZ 0.28982 0.09931 0.18192 0.08616 -0.08958 115 4XX 0.03480 0.00566 0.01987 -0.00527 -0.01159 116 4YY 0.01366 -0.00243 -0.01431 0.00398 0.00266 117 4ZZ 0.00251 -0.00232 0.01090 0.00664 0.00616 118 4XY 0.02151 0.00685 -0.00493 0.03160 -0.00779 119 4XZ 0.04389 -0.01805 0.04313 -0.07148 0.00787 120 4YZ -0.05255 0.05104 -0.04204 0.00920 0.03176 121 9 C 1S 0.00414 0.01316 -0.00160 0.00624 0.00006 122 2S 0.20585 -0.32116 -0.06728 -0.09819 0.00758 123 2PX 0.08217 0.07129 0.10330 0.07167 -0.01916 124 2PY -0.00940 -0.00825 -0.09038 0.00181 0.00873 125 2PZ -0.11040 0.20194 -0.04476 0.00692 0.05800 126 3S -0.02115 0.54284 0.17065 0.26279 0.02423 127 3PX -0.37770 -0.64770 -0.76053 0.07786 0.06808 128 3PY 0.12431 0.61307 0.11436 -0.20499 0.20190 129 3PZ 0.15818 -0.83674 -0.25652 0.17401 -0.19554 130 4XX 0.03238 -0.00719 -0.01016 0.01619 -0.00319 131 4YY 0.05612 -0.06709 0.03870 -0.05115 -0.01192 132 4ZZ -0.04506 0.04582 -0.03769 0.03286 0.01867 133 4XY -0.01692 -0.05775 0.01715 -0.02021 -0.00976 134 4XZ 0.02536 -0.04075 -0.00807 -0.01884 -0.00055 135 4YZ 0.00179 -0.00358 0.00370 0.00428 -0.00318 136 10 H 1S -0.03137 0.17126 -0.06607 0.08076 0.03297 137 2S 0.24618 -0.38971 -0.01869 -0.12348 -0.03556 138 11 H 1S -0.13177 0.20365 -0.11915 0.07632 0.04827 139 2S -0.05005 -0.19672 -0.27384 -0.22248 0.11693 140 12 H 1S -0.14255 0.10053 -0.11830 0.15172 -0.03986 141 2S -0.09540 -0.00841 0.35962 0.11100 -0.11504 142 13 H 1S -0.06893 0.02842 -0.04400 0.13049 0.00279 143 2S 0.40509 0.14693 0.35856 -0.08349 -0.11174 144 14 H 1S 0.32913 -0.06276 0.18854 -0.24687 -0.05833 145 2S -0.39120 -0.01444 -0.12361 0.42412 0.35033 146 15 C 1S -0.01208 0.01482 0.02425 -0.00889 -0.02227 147 2S -0.38451 0.38094 0.43691 0.21235 -0.69529 148 2PX -0.04265 -0.19012 -0.04211 -0.06487 -0.06359 149 2PY 0.07251 0.07092 0.00811 -0.07070 0.05163 150 2PZ -0.01014 0.01000 -0.00015 0.00976 -0.11262 151 3S 1.50996 -0.65533 -1.54642 -2.26004 2.41605 152 3PX 0.07409 0.92024 0.41712 -0.11857 0.13438 153 3PY -0.79426 -0.72832 0.02266 1.57137 -0.48572 154 3PZ -0.07906 0.43377 0.24282 -0.49091 0.19204 155 4XX -0.02668 0.03707 -0.00858 0.02121 -0.01991 156 4YY -0.00934 0.06409 0.07108 -0.13827 -0.05043 157 4ZZ 0.01247 -0.03529 -0.01376 0.01775 0.02416 158 4XY 0.05783 -0.00655 0.00753 0.01124 0.01553 159 4XZ -0.02048 0.00658 0.01675 -0.04356 -0.04201 160 4YZ 0.02509 -0.02124 -0.00022 -0.00465 0.01363 161 16 O 1S 0.00026 -0.00116 0.00117 -0.00360 -0.00231 162 2S 0.10682 0.00475 -0.00433 0.24669 0.29149 163 2PX 0.34237 -0.10285 -0.00824 0.22016 0.23355 164 2PY -0.04492 -0.03661 -0.04457 -0.09454 0.28408 165 2PZ -0.20693 0.05771 0.19912 0.07276 0.25847 166 3S -0.67423 0.24624 -0.12320 -0.27617 -0.59422 167 3PX -0.37687 0.16059 0.02152 -0.59629 -0.40772 168 3PY -0.01918 -0.35351 0.20278 0.68993 -0.82147 169 3PZ 0.33220 0.05442 -0.29905 -0.39793 -0.24586 170 4XX 0.01078 -0.00081 -0.00853 0.07125 0.02949 171 4YY 0.00501 0.02627 -0.01377 0.07641 0.11844 172 4ZZ 0.09537 -0.02334 0.01347 0.08741 0.12805 173 4XY -0.01690 0.03821 -0.01940 -0.07145 -0.01853 174 4XZ -0.07388 0.00961 -0.00983 -0.00256 -0.07643 175 4YZ 0.03023 -0.02799 0.00743 -0.00848 -0.00685 176 17 C 1S -0.01891 -0.01521 -0.01677 -0.02293 -0.00829 177 2S -0.57540 -0.12198 -0.57994 -0.66826 -0.00665 178 2PX 0.08849 0.08080 0.08924 -0.03201 -0.10072 179 2PY -0.02261 0.12284 0.07846 -0.16141 -0.02455 180 2PZ -0.02484 -0.11945 -0.01425 0.04822 -0.03104 181 3S 1.69273 -0.44891 2.30145 2.67532 -1.12275 182 3PX -0.49575 -0.25568 -0.56489 -0.07071 0.46418 183 3PY -0.19609 -1.32934 -0.22558 0.81389 -0.67570 184 3PZ -0.16370 0.82645 -0.33877 -0.54106 0.43511 185 4XX -0.02090 -0.00573 -0.01007 -0.01583 0.02421 186 4YY -0.05937 -0.02807 -0.01429 -0.02534 -0.05712 187 4ZZ 0.01877 -0.03842 -0.00009 0.00491 -0.04671 188 4XY -0.02973 0.03622 -0.00589 -0.01674 -0.01524 189 4XZ -0.00278 -0.06891 0.00792 -0.03375 -0.04862 190 4YZ 0.05227 0.04437 0.03455 0.02765 0.05538 191 18 O 1S 0.00512 0.01059 0.00411 0.00708 0.00361 192 2S 0.08321 0.08854 0.07191 0.13864 -0.03617 193 2PX -0.06200 -0.05699 0.32012 0.05037 -0.02542 194 2PY 0.15327 -0.04715 -0.06757 -0.11568 -0.29258 195 2PZ 0.24802 0.36981 -0.28171 -0.07547 -0.10374 196 3S -0.40199 -0.69653 -0.43370 -0.38937 -0.16175 197 3PX 0.12098 0.20132 -0.31740 -0.08928 -0.03156 198 3PY -0.17581 0.20189 0.09462 0.02111 0.46732 199 3PZ -0.26951 -0.48870 0.39594 0.15162 0.10546 200 4XX 0.01143 0.05494 0.00742 0.04904 0.02431 201 4YY 0.03698 0.04899 0.01502 0.01955 -0.02958 202 4ZZ 0.05278 0.06033 0.05240 0.08022 0.02937 203 4XY -0.01214 -0.00303 0.00178 -0.02120 0.00282 204 4XZ -0.03497 -0.01334 -0.04643 -0.02606 -0.00034 205 4YZ 0.03394 0.01144 0.03481 0.02995 -0.00200 206 19 O 1S -0.00157 -0.00787 -0.00719 0.00771 0.00674 207 2S 0.03533 -0.05916 -0.12350 0.01948 0.04442 208 2PX 0.06058 -0.02041 -0.05743 -0.23202 0.06861 209 2PY -0.00847 -0.08885 -0.19325 0.31559 -0.04806 210 2PZ 0.15594 -0.07641 -0.14345 0.03852 -0.34517 211 3S 0.03598 0.58687 0.50559 -0.36372 -0.37174 212 3PX -0.15418 -0.13076 0.01475 0.32268 -0.13466 213 3PY 0.03052 0.11155 0.22573 -0.53435 0.13088 214 3PZ -0.17169 0.03207 0.13152 0.06791 0.38305 215 4XX -0.00442 -0.01854 -0.04516 0.03922 0.02362 216 4YY -0.00383 -0.00567 -0.03741 0.05673 -0.01754 217 4ZZ 0.03565 -0.07451 -0.08274 0.02003 0.06152 218 4XY -0.01769 0.01567 0.01166 0.00591 0.00639 219 4XZ -0.01744 0.01565 0.02296 -0.00881 -0.03746 220 4YZ 0.00295 -0.00650 -0.01140 0.01327 0.03575 221 20 H 1S 0.01890 -0.09436 -0.00363 0.29926 -0.06737 222 2S -0.06549 -0.08929 0.14942 0.17675 0.07369 223 21 H 1S 0.10255 0.19172 -0.08680 -0.04148 0.14290 224 2S -0.13909 -0.11645 0.06455 -0.05940 0.24437 225 22 H 1S 0.19116 -0.37762 0.04413 -0.17461 -0.11865 226 2S -0.15247 0.62843 -0.06591 0.42756 0.21592 227 23 H 1S 0.07480 0.21420 -0.03957 0.00452 0.03390 228 2S 0.02534 -0.16826 0.33933 0.05355 0.08116 229 24 H 1S -0.10798 -0.01131 0.25233 -0.23408 0.32128 230 2S 0.35393 0.14940 -0.41795 0.43652 -0.59834 231 25 H 1S -0.12606 -0.12831 0.01531 -0.00831 0.12911 232 2S 0.41628 0.29805 -0.13946 0.22324 -0.07529 233 26 H 1S -0.07446 -0.10514 -0.01812 -0.05852 0.17052 234 2S 0.16483 0.20950 -0.29957 0.12387 -0.12155 131 132 133 134 135 V V V V V Eigenvalues -- 1.05935 1.06484 1.09323 1.10742 1.16769 1 1 C 1S -0.01816 0.00387 0.00056 0.00179 0.04191 2 2S -0.08759 -0.03497 0.00210 -0.00065 0.82109 3 2PX 0.07390 -0.02863 -0.00483 0.02763 0.03763 4 2PY 0.21156 -0.05900 -0.03107 -0.01092 -0.17361 5 2PZ 0.01535 -0.00244 0.05491 0.10607 0.06249 6 3S -0.02783 -0.15296 -0.07375 -0.35320 -1.83742 7 3PX -0.19474 0.17243 -0.04236 -0.03117 -0.00667 8 3PY -0.09692 0.34662 0.02156 0.22240 0.03506 9 3PZ -0.36408 -0.04934 0.05136 -0.10939 0.28197 10 4XX -0.01086 -0.01588 -0.00197 0.01666 0.03616 11 4YY -0.02736 0.01108 -0.00713 -0.02229 0.01951 12 4ZZ 0.00066 -0.00456 0.00774 -0.00182 0.06525 13 4XY -0.03233 0.02217 0.00121 0.00883 -0.01239 14 4XZ -0.00917 0.04814 -0.01377 0.01878 -0.03952 15 4YZ -0.01765 -0.02447 0.00180 0.00772 0.04353 16 2 C 1S -0.00439 -0.00022 0.00016 -0.01436 0.00464 17 2S -0.41995 0.02501 0.04151 -0.20937 0.41720 18 2PX -0.02008 0.08475 -0.02427 0.12428 0.12058 19 2PY 0.20064 -0.02509 -0.09844 -0.02684 -0.10941 20 2PZ -0.16172 -0.15006 0.06842 0.06000 0.19621 21 3S 0.91898 0.70736 -0.22646 0.88699 -1.18020 22 3PX -0.01297 -0.24611 0.01299 -0.23915 -0.48096 23 3PY -1.10833 0.06107 0.63020 0.38924 1.54881 24 3PZ 1.51849 0.36036 -0.63206 -0.12557 -1.77035 25 4XX -0.00708 -0.00629 -0.00221 0.01648 -0.00767 26 4YY 0.01532 -0.02263 -0.00507 -0.02652 0.03635 27 4ZZ -0.04820 0.03798 0.00748 -0.02452 -0.00166 28 4XY 0.03722 -0.05086 0.00008 -0.01440 0.02395 29 4XZ 0.02652 -0.04055 0.00502 0.02959 0.03601 30 4YZ -0.03051 -0.03306 0.01396 0.00876 0.05811 31 3 C 1S 0.00686 0.00323 0.00226 -0.01098 -0.00762 32 2S 0.37746 0.13287 -0.03360 -0.11842 -0.26517 33 2PX -0.04990 -0.00689 0.02844 0.08686 0.08130 34 2PY 0.13451 -0.01618 -0.07026 0.06067 -0.13678 35 2PZ 0.02953 -0.16326 0.00361 0.05689 -0.21722 36 3S -1.54858 0.16941 0.25586 0.40841 2.29012 37 3PX 0.51330 0.20426 -0.25245 -0.01884 -0.34107 38 3PY -1.16385 -0.38497 0.75722 -0.31493 1.63392 39 3PZ -0.72147 0.19912 0.11527 -0.02539 1.10780 40 4XX -0.01257 -0.01875 0.00186 0.00145 0.02006 41 4YY -0.04689 0.02881 0.01360 -0.00557 0.06304 42 4ZZ 0.10435 0.00420 -0.01391 -0.02156 -0.11403 43 4XY 0.00167 -0.01708 -0.00621 0.04179 -0.02657 44 4XZ -0.00586 -0.07264 -0.00448 0.00469 -0.05816 45 4YZ 0.03244 0.02143 -0.01680 -0.01159 -0.00738 46 4 C 1S 0.00534 0.00080 -0.00350 -0.00479 -0.00884 47 2S -0.00057 0.08486 -0.01838 -0.00376 -0.02831 48 2PX 0.09394 0.12692 -0.04582 0.08470 0.04343 49 2PY 0.09146 0.09949 -0.10149 -0.03511 0.16822 50 2PZ 0.00860 0.09892 -0.04299 0.10230 0.02599 51 3S -0.51511 0.07564 -0.11397 0.34341 1.17942 52 3PX -0.62382 -0.40132 -0.12667 -0.36524 -0.95286 53 3PY -1.17864 -0.82084 0.54657 0.34695 -0.36264 54 3PZ -0.14914 -0.60566 0.52680 -0.70604 0.13920 55 4XX 0.01957 -0.06989 0.01140 0.00907 -0.04668 56 4YY 0.02646 0.04619 -0.02733 0.01679 -0.03246 57 4ZZ -0.06185 0.03560 0.00974 -0.02063 0.07906 58 4XY 0.02197 0.10869 -0.00343 -0.03718 0.09864 59 4XZ 0.00325 -0.00299 0.01979 -0.02935 0.02282 60 4YZ 0.04295 0.03053 0.01682 -0.04878 0.03800 61 5 C 1S -0.01775 -0.00608 -0.00861 0.00729 -0.01625 62 2S -0.23678 -0.00258 -0.04306 0.20672 -0.23868 63 2PX -0.03906 0.04050 0.07394 -0.04906 -0.15543 64 2PY 0.02091 -0.19670 0.12875 0.01715 -0.00290 65 2PZ -0.01485 -0.00281 -0.06085 0.04311 -0.09154 66 3S 2.02434 0.12217 -0.68612 0.03804 0.88694 67 3PX -0.11634 0.04601 -0.86775 0.79865 0.49687 68 3PY 0.94563 1.06631 -0.56147 -0.20302 0.47818 69 3PZ 0.51160 0.43173 -0.15761 0.10025 0.66874 70 4XX -0.05627 0.03442 -0.02763 0.02251 -0.02053 71 4YY 0.00926 -0.04590 0.00197 -0.00120 -0.00365 72 4ZZ 0.04992 0.00774 -0.00053 0.01278 -0.00141 73 4XY 0.00820 -0.05043 -0.00912 0.02863 -0.03571 74 4XZ 0.00009 -0.03287 -0.01295 0.00441 -0.04540 75 4YZ -0.00650 0.08979 -0.00484 -0.03125 0.00759 76 6 C 1S 0.01894 0.00055 0.00675 0.00318 0.02074 77 2S 0.26305 0.08713 -0.01722 0.13828 0.29871 78 2PX 0.00037 -0.00894 -0.11291 -0.08710 0.12748 79 2PY 0.00646 0.17735 0.08630 0.02470 0.11178 80 2PZ 0.04183 -0.12908 -0.03178 0.04942 0.09573 81 3S -1.73058 -0.75466 0.68130 0.58938 -2.23939 82 3PX -0.23889 0.09238 0.96052 1.16848 -0.76820 83 3PY 0.37581 -0.47631 0.07112 0.12703 -0.74815 84 3PZ -1.19914 0.42587 0.31395 0.12330 -1.02312 85 4XX 0.02971 0.00808 0.02229 0.03050 0.02298 86 4YY 0.01270 -0.07581 -0.00288 0.02736 0.00059 87 4ZZ -0.02937 0.05466 -0.00513 -0.02393 -0.02025 88 4XY -0.00377 0.05346 0.02086 -0.01598 -0.01235 89 4XZ 0.02000 -0.06161 0.00811 0.01355 0.00666 90 4YZ -0.00192 0.00219 -0.00359 0.02035 -0.02157 91 7 C 1S -0.00017 -0.00021 -0.00126 -0.00929 0.01816 92 2S 0.11173 0.06046 -0.07025 -0.07519 0.19329 93 2PX -0.13482 0.09428 0.06172 0.06744 0.01431 94 2PY -0.02736 0.04330 -0.01735 0.10366 0.15536 95 2PZ -0.02666 0.08441 0.08656 0.11062 -0.11222 96 3S 0.35484 0.31155 0.29826 0.74945 -1.17650 97 3PX 0.98130 -0.08486 0.00654 -0.11037 0.71354 98 3PY 0.03079 -0.03523 -0.06207 -0.74439 -1.20717 99 3PZ 1.05934 -0.52792 -0.74618 -0.68164 -0.20695 100 4XX -0.00165 0.00618 -0.01150 0.00583 0.00361 101 4YY 0.03772 -0.02904 0.01246 0.01199 0.07083 102 4ZZ -0.00382 0.03761 -0.00820 -0.02584 -0.03113 103 4XY 0.01962 -0.07678 -0.02988 -0.01299 0.02803 104 4XZ -0.04690 0.06617 -0.00537 -0.04045 -0.07568 105 4YZ -0.01244 0.04189 -0.00930 -0.03535 -0.04063 106 8 C 1S 0.00438 0.00502 -0.00698 0.00689 0.00830 107 2S -0.02503 -0.03397 0.03635 0.24622 0.13677 108 2PX 0.01032 0.01496 0.03067 -0.10958 0.03032 109 2PY -0.08861 0.04752 0.01109 0.03705 -0.05668 110 2PZ -0.00823 0.00846 -0.00834 0.09297 -0.13900 111 3S 0.05683 -0.35558 -0.07676 -0.84050 -0.60831 112 3PX 0.12556 -0.07488 -0.14721 0.02059 -0.68236 113 3PY 1.12272 -0.08190 -0.22329 -0.46015 0.79577 114 3PZ -0.13169 0.18993 0.22189 -0.25632 0.54211 115 4XX -0.00614 -0.01030 -0.01405 0.01000 -0.01497 116 4YY -0.00740 -0.00700 -0.00457 0.00568 -0.04118 117 4ZZ 0.01357 0.00831 0.01438 0.01595 0.07583 118 4XY -0.01028 0.03319 0.00055 -0.06951 -0.01500 119 4XZ 0.03485 -0.11057 0.00412 0.05713 0.06411 120 4YZ 0.02747 -0.03503 -0.01159 0.01502 -0.00075 121 9 C 1S -0.00834 0.00422 0.00762 0.01174 0.01080 122 2S -0.02042 -0.00333 -0.03665 0.30762 0.16214 123 2PX 0.05190 0.01983 -0.03686 -0.11100 -0.10616 124 2PY -0.00915 -0.02021 -0.01394 -0.00389 0.05069 125 2PZ 0.10005 0.07545 -0.02703 0.07833 0.09689 126 3S 0.31462 -0.45865 0.00605 -1.09474 -0.49971 127 3PX -0.37264 -0.19850 0.19097 0.10601 0.09113 128 3PY 0.64812 0.44107 -0.21656 -0.13059 0.37694 129 3PZ -0.72462 -0.21880 0.02876 -0.33688 -1.07263 130 4XX -0.01328 0.04856 0.02178 -0.03767 0.09936 131 4YY -0.01263 -0.03514 -0.00857 0.05076 -0.00716 132 4ZZ 0.01986 -0.02091 -0.00967 0.02832 -0.06918 133 4XY -0.01918 -0.10635 0.00618 0.08345 -0.01252 134 4XZ 0.00616 -0.06675 -0.00498 -0.00531 -0.04562 135 4YZ -0.02784 -0.00884 -0.00431 -0.00995 -0.04699 136 10 H 1S -0.06482 0.13657 -0.01931 -0.02996 -0.05063 137 2S 0.00064 0.05686 -0.03914 -0.01168 -0.00400 138 11 H 1S 0.00199 0.09260 0.04206 0.08335 0.22201 139 2S 0.13572 0.00570 -0.05038 0.28232 0.24738 140 12 H 1S 0.01371 0.05257 -0.05344 0.05751 -0.21133 141 2S -0.10742 -0.09460 0.02398 0.28489 -0.24876 142 13 H 1S 0.02867 0.14168 0.02522 -0.02328 0.14307 143 2S -0.11396 0.01639 0.08699 -0.04184 0.16747 144 14 H 1S 0.14789 -0.02163 0.03774 0.08159 0.28177 145 2S 0.14295 -0.08229 -0.28112 0.01615 0.56503 146 15 C 1S -0.00263 -0.00643 0.00526 0.00178 -0.00896 147 2S -0.05956 -0.23517 0.12628 0.09859 -0.29347 148 2PX -0.03717 0.04265 -0.12565 -0.08562 0.21932 149 2PY 0.03434 0.01444 -0.00447 -0.05610 -0.01946 150 2PZ -0.14134 -0.02000 -0.10840 -0.16983 -0.00232 151 3S 0.98046 0.83203 -0.78620 -1.02905 2.04911 152 3PX 0.05111 0.07845 0.88030 0.46428 -1.31254 153 3PY -0.69567 0.21635 0.13358 0.97584 -0.34666 154 3PZ 0.81786 -0.10745 0.67780 0.99851 -0.11519 155 4XX -0.02139 -0.02062 -0.00001 0.04036 -0.03396 156 4YY 0.03006 -0.01234 0.01393 -0.04698 0.01909 157 4ZZ 0.01995 0.03937 -0.01251 -0.01658 0.06716 158 4XY -0.01843 0.04348 0.07986 0.02134 -0.02598 159 4XZ 0.03723 0.00647 -0.00183 -0.01533 0.02267 160 4YZ 0.04107 0.00995 0.06737 0.07997 -0.02065 161 16 O 1S 0.00069 -0.00573 0.00032 -0.00381 0.00062 162 2S 0.02530 -0.08801 -0.00348 0.07080 -0.09617 163 2PX 0.02498 -0.11526 0.00876 -0.08752 -0.22908 164 2PY 0.10281 -0.05795 -0.08641 0.18146 0.10763 165 2PZ -0.02465 -0.18789 0.02802 0.51449 0.03069 166 3S -0.10411 0.35263 0.02401 -0.13815 0.38443 167 3PX 0.02261 0.07608 0.02649 -0.07764 0.62060 168 3PY -0.49404 -0.07772 0.04369 -0.38051 -0.22287 169 3PZ 0.17103 0.34142 0.01030 -1.12007 0.00674 170 4XX -0.00010 -0.00168 -0.01337 0.00457 0.03712 171 4YY 0.04350 -0.04474 0.01500 0.02615 -0.02142 172 4ZZ -0.01785 -0.03300 -0.00600 0.03965 -0.10253 173 4XY 0.00500 0.02258 0.03393 -0.03292 0.00064 174 4XZ -0.01980 -0.00846 -0.00861 -0.05326 -0.00855 175 4YZ 0.02575 0.02303 -0.00300 -0.01393 0.01628 176 17 C 1S -0.00017 -0.00166 -0.00367 0.00076 -0.00360 177 2S 0.11940 -0.00737 -0.11493 0.02446 -0.06457 178 2PX -0.06630 0.00628 0.12313 -0.05580 0.18108 179 2PY 0.09863 0.06625 0.13323 -0.11731 0.11465 180 2PZ 0.06149 0.03407 0.06929 -0.14799 0.03174 181 3S -1.17478 -0.36117 0.78153 -0.49955 -0.50735 182 3PX 0.44169 0.40379 -0.87976 0.50759 -0.46911 183 3PY -0.81492 -0.75066 -0.71861 0.47799 -0.26424 184 3PZ -0.05561 0.09580 -0.50406 1.15354 0.00858 185 4XX 0.05062 0.02861 -0.04852 0.02770 -0.03731 186 4YY -0.02263 -0.01027 0.09309 -0.07813 0.02625 187 4ZZ -0.06600 -0.02883 -0.04211 0.03969 -0.02733 188 4XY -0.02401 -0.02846 0.02123 0.03657 -0.01840 189 4XZ -0.03954 0.01353 -0.06330 -0.00297 -0.04683 190 4YZ 0.00215 0.04570 -0.02734 0.02197 -0.04473 191 18 O 1S -0.00078 0.01000 0.00138 0.00609 -0.00164 192 2S -0.08237 0.01606 -0.00126 -0.00399 0.00986 193 2PX 0.25515 0.46604 -0.37415 0.10280 -0.05665 194 2PY -0.14977 0.06817 -0.44085 0.20912 -0.00322 195 2PZ -0.27239 -0.06141 -0.16336 0.24452 -0.07032 196 3S 0.06239 -0.38517 -0.04657 -0.25124 0.08590 197 3PX -0.40870 -0.64151 0.70843 -0.17604 0.20822 198 3PY 0.33972 -0.07239 0.79132 -0.48155 0.11404 199 3PZ 0.41829 0.20034 0.32699 -0.52118 0.08489 200 4XX -0.01657 -0.02183 0.05261 0.01712 0.02350 201 4YY -0.03987 0.04309 -0.08000 0.04145 -0.01318 202 4ZZ 0.00809 0.04613 0.03599 -0.02563 -0.01076 203 4XY 0.03002 0.02766 -0.01036 -0.02345 0.01083 204 4XZ -0.00247 -0.03368 0.04095 -0.03191 0.02874 205 4YZ -0.02179 -0.01131 0.02844 0.01140 -0.00521 206 19 O 1S -0.00194 0.01078 -0.00295 0.00586 0.00517 207 2S 0.09021 0.04731 -0.00756 -0.02309 0.02803 208 2PX -0.32093 0.44613 0.41146 0.16533 -0.18374 209 2PY 0.04192 0.04260 -0.04007 0.08469 0.08667 210 2PZ 0.42336 0.06263 0.34035 0.30865 0.05819 211 3S 0.03264 -0.45098 0.11422 -0.24726 -0.27456 212 3PX 0.40764 -0.63061 -0.76981 -0.30353 0.51452 213 3PY -0.02710 0.05900 0.02367 -0.15801 -0.02156 214 3PZ -0.72727 -0.08463 -0.62910 -0.68029 -0.06682 215 4XX 0.00102 0.00844 -0.02074 0.01197 -0.01320 216 4YY 0.01561 0.01207 0.00344 -0.00716 -0.02564 217 4ZZ 0.03374 0.06236 -0.00662 0.01575 0.07567 218 4XY 0.02859 -0.05726 -0.06482 -0.01196 0.02604 219 4XZ -0.00933 -0.00571 0.01298 -0.01898 -0.04792 220 4YZ -0.03311 -0.00517 -0.06091 -0.05509 0.01284 221 20 H 1S -0.17196 0.16000 0.03977 0.02000 -0.06524 222 2S -0.07816 0.16194 0.09609 0.07775 -0.12264 223 21 H 1S 0.12303 0.25127 -0.05431 -0.01791 0.12433 224 2S 0.02657 0.21601 -0.13519 0.04958 0.01953 225 22 H 1S -0.14389 -0.07096 -0.05633 0.16207 -0.09574 226 2S -0.30842 -0.14670 0.29207 0.14491 -0.06407 227 23 H 1S 0.27573 -0.02744 0.00612 -0.07087 -0.30428 228 2S 0.25929 -0.14425 -0.00284 -0.01787 -0.53020 229 24 H 1S -0.29597 0.06314 0.01965 -0.00932 0.18398 230 2S 0.41096 -0.29751 -0.01710 -0.05210 0.28645 231 25 H 1S -0.10123 0.04096 -0.02164 0.03702 0.17233 232 2S -0.09114 0.00370 0.00987 -0.11376 0.28960 233 26 H 1S -0.02647 0.07906 -0.00724 0.00402 0.10216 234 2S 0.16183 0.01383 -0.01071 0.18659 0.20170 136 137 138 139 140 V V V V V Eigenvalues -- 1.19683 1.20337 1.21748 1.25334 1.25569 1 1 C 1S 0.01130 0.02001 -0.02742 0.00553 0.00530 2 2S 0.12849 0.34886 -0.52393 0.32937 0.06779 3 2PX 0.00155 0.09473 0.01587 0.06260 0.05358 4 2PY 0.08389 -0.06614 0.08196 -0.02117 -0.04065 5 2PZ 0.02918 0.04481 -0.05117 -0.18132 0.06894 6 3S -1.31234 -0.82695 1.44110 0.34766 -0.23290 7 3PX 0.05238 0.03830 0.10263 0.07774 0.03535 8 3PY 0.54026 -0.03744 -0.14480 -0.61903 0.08519 9 3PZ -0.14494 0.24357 -0.04274 0.09433 0.02780 10 4XX 0.02061 -0.00040 -0.09141 -0.03616 0.02128 11 4YY 0.00647 0.01118 0.02951 0.07245 -0.02194 12 4ZZ -0.01819 0.04162 -0.02072 0.01126 0.01707 13 4XY 0.03033 0.03340 -0.00537 -0.01992 0.07100 14 4XZ 0.11518 0.09865 0.11304 0.05421 0.17530 15 4YZ -0.03584 0.06783 0.00317 0.04217 0.06612 16 2 C 1S -0.01771 0.01123 0.04204 0.02692 -0.02456 17 2S -0.22875 0.27276 0.53776 0.63038 -0.41899 18 2PX 0.19343 0.11993 0.06875 0.02580 -0.05891 19 2PY 0.01926 -0.03947 0.00212 0.02379 -0.00366 20 2PZ -0.25536 0.15617 -0.10836 0.10453 0.11788 21 3S 1.71786 -2.08877 -1.72341 -1.29383 0.74487 22 3PX -0.38133 -0.63327 -0.10557 0.15019 -0.03264 23 3PY 0.15361 1.28332 -0.22484 -1.36117 0.30214 24 3PZ 1.69832 -0.86772 0.75082 -0.24769 -0.81381 25 4XX 0.04179 0.03367 -0.06015 -0.00601 0.16073 26 4YY -0.06971 0.00529 0.02557 0.02376 -0.12535 27 4ZZ 0.00605 -0.02613 0.07906 0.05378 -0.06967 28 4XY -0.03850 -0.05090 -0.16824 -0.07419 -0.20636 29 4XZ -0.04004 -0.10142 -0.00346 -0.01507 -0.03573 30 4YZ -0.05754 0.02340 -0.02877 0.02579 0.01131 31 3 C 1S -0.00099 -0.01350 0.03680 -0.02052 -0.01696 32 2S 0.26278 -0.40658 0.66369 -0.47474 -0.35873 33 2PX 0.10517 -0.06499 -0.00989 -0.04580 -0.09450 34 2PY 0.07549 -0.08008 0.04764 -0.05208 -0.03737 35 2PZ -0.02322 -0.08967 -0.02646 0.00358 0.03016 36 3S -0.57181 2.65373 -1.79238 0.94391 0.99565 37 3PX 0.25807 -0.01171 -0.00937 0.33234 0.04258 38 3PY -1.31752 1.29093 0.22012 -0.80315 0.34930 39 3PZ -0.90760 -0.02020 0.50282 0.91467 -0.21182 40 4XX 0.00290 -0.00182 -0.12722 0.00025 0.00709 41 4YY -0.01845 0.02818 0.11122 0.00776 0.00719 42 4ZZ 0.02949 -0.05385 0.08248 -0.07535 -0.03578 43 4XY 0.02799 -0.00974 0.02456 0.03668 0.15401 44 4XZ 0.02787 0.13078 -0.07460 0.00032 -0.18285 45 4YZ 0.03105 0.02170 -0.02153 -0.00647 -0.04242 46 4 C 1S 0.03636 -0.01993 -0.04169 0.01098 0.00756 47 2S 0.56623 -0.28546 -0.74124 0.38339 0.15649 48 2PX 0.13293 -0.01363 0.03534 0.04057 -0.06714 49 2PY -0.05744 0.18488 -0.03281 -0.14695 0.06137 50 2PZ 0.05238 0.02147 -0.00579 0.20718 -0.04248 51 3S -1.67204 1.34709 2.41286 -1.23769 -0.52053 52 3PX -0.03947 1.27925 -0.48706 -0.32532 -0.57394 53 3PY 0.14472 -0.94753 0.05330 0.84470 -0.48888 54 3PZ -0.92757 0.03539 0.14446 -1.35815 0.34144 55 4XX 0.09145 0.07198 -0.09890 -0.04275 0.04842 56 4YY 0.02351 -0.12766 -0.02964 0.07781 -0.01031 57 4ZZ -0.01861 0.00012 0.03822 0.00655 -0.02981 58 4XY -0.05252 -0.07652 -0.03094 -0.07828 0.02268 59 4XZ -0.01622 -0.06786 -0.02194 0.02338 0.02714 60 4YZ -0.00916 0.04312 0.02722 -0.08870 0.00843 61 5 C 1S 0.02199 0.01044 -0.03849 0.01487 -0.04479 62 2S 0.35259 0.09122 -0.67945 0.12325 -0.72647 63 2PX 0.08312 0.02791 0.08695 0.18386 0.08348 64 2PY 0.07117 -0.01226 -0.18405 -0.03356 0.08951 65 2PZ 0.18574 0.22467 -0.03557 -0.01948 0.12093 66 3S -1.94649 0.77688 1.13220 -0.78678 2.38243 67 3PX -1.10304 0.07063 0.32679 -0.27354 -0.36017 68 3PY -0.21945 1.61678 0.42177 -0.29711 -0.48058 69 3PZ -1.24283 -1.90558 -0.00242 0.79172 0.01201 70 4XX -0.02264 0.05493 -0.06912 -0.03095 -0.06362 71 4YY 0.02221 0.00654 0.00262 0.02201 -0.11622 72 4ZZ 0.01853 -0.02404 -0.03956 0.02713 0.06959 73 4XY 0.00824 0.08531 0.06941 0.00681 -0.00422 74 4XZ -0.02863 0.06111 0.01880 0.05317 0.01820 75 4YZ -0.03701 -0.04880 0.01654 0.06559 -0.04836 76 6 C 1S -0.00715 -0.00640 -0.03502 -0.03652 -0.03479 77 2S -0.04921 -0.00138 -0.58758 -0.50070 -0.59781 78 2PX -0.08210 -0.02274 0.06689 -0.12074 0.14094 79 2PY -0.07984 -0.21705 0.09910 -0.01932 0.09154 80 2PZ 0.03917 -0.20899 -0.20371 0.03039 0.12774 81 3S -0.38545 -0.69569 0.69479 1.74716 1.72192 82 3PX -0.22757 -0.44355 0.10935 0.36869 -0.67272 83 3PY 0.19114 2.54838 0.22032 -0.52119 0.36681 84 3PZ 0.19277 0.42418 0.37092 -0.34476 -0.35148 85 4XX -0.05414 -0.03921 -0.04631 -0.00162 -0.06986 86 4YY 0.00380 -0.04919 -0.05840 0.01060 0.02150 87 4ZZ 0.02691 0.07405 0.00537 -0.07867 -0.04865 88 4XY -0.04642 0.02175 -0.03285 -0.06793 0.01622 89 4XZ -0.06554 -0.05561 0.07033 -0.00567 -0.01712 90 4YZ -0.00743 -0.03319 0.00673 0.03441 0.09195 91 7 C 1S 0.02087 0.00975 -0.03832 -0.01484 0.01625 92 2S 0.43127 0.08160 -0.59678 -0.47302 0.31771 93 2PX 0.09194 -0.10553 -0.00538 0.00954 -0.08420 94 2PY -0.00552 0.07339 0.09263 -0.25661 0.01171 95 2PZ 0.11524 -0.16681 -0.03590 -0.07533 -0.01367 96 3S 0.00332 -1.16570 2.09813 1.22355 -1.46902 97 3PX -0.81827 -0.39103 -0.44482 -0.38620 -0.38483 98 3PY -0.47594 -1.00158 -0.37829 1.66629 -0.32965 99 3PZ 0.08870 0.90261 0.42942 0.38132 -0.21508 100 4XX 0.04469 -0.03465 -0.11639 0.05252 0.02472 101 4YY -0.00925 0.08680 0.00321 -0.12906 0.04846 102 4ZZ 0.04173 -0.03289 0.04304 0.01857 -0.04565 103 4XY -0.01706 -0.07371 -0.03306 0.04563 0.02555 104 4XZ 0.07444 0.11672 -0.00717 -0.01197 0.02369 105 4YZ 0.04976 -0.00330 0.01221 0.03881 -0.02706 106 8 C 1S 0.02535 0.02209 0.01942 -0.01281 0.05162 107 2S 0.39560 0.22368 0.22574 -0.12505 0.88282 108 2PX -0.05142 -0.18914 -0.03159 0.07409 0.19270 109 2PY -0.02405 0.01474 -0.03826 -0.00256 -0.06518 110 2PZ 0.14700 0.10753 -0.18284 0.02152 0.01529 111 3S -0.98854 -1.46442 -1.36132 1.23711 -1.77059 112 3PX 0.22063 0.77279 -0.24313 0.27639 -0.43131 113 3PY -0.49808 0.50748 -0.12046 -0.86656 0.10705 114 3PZ -0.57365 -1.16728 0.24694 -0.11039 0.08523 115 4XX 0.09205 0.09857 0.06309 0.00741 0.05873 116 4YY 0.01250 -0.01416 -0.06848 0.04117 0.04148 117 4ZZ -0.04032 -0.06399 0.04107 -0.05192 0.05274 118 4XY 0.00826 -0.01528 -0.01616 0.00586 0.01190 119 4XZ -0.03422 -0.04688 -0.00846 -0.00870 0.05464 120 4YZ -0.04993 -0.00484 -0.10519 0.01148 -0.01811 121 9 C 1S 0.01749 -0.04314 0.00839 0.02508 0.04194 122 2S 0.34297 -0.57737 0.08568 0.33424 0.78354 123 2PX 0.07736 0.11454 0.01006 -0.01702 0.16596 124 2PY 0.02078 -0.01537 -0.11212 -0.04165 0.14363 125 2PZ -0.09179 -0.05878 -0.14668 -0.05523 -0.03163 126 3S -0.68808 2.30899 -0.74749 -1.66053 -1.19434 127 3PX -0.52385 -0.82436 -0.49860 -0.12160 -0.41197 128 3PY -0.09509 0.76173 0.42768 -0.52110 0.17074 129 3PZ 0.66076 0.55647 0.00066 0.76470 -0.25212 130 4XX -0.02382 -0.11470 0.03845 -0.01033 0.06209 131 4YY 0.06100 -0.00878 0.07525 0.06510 0.06106 132 4ZZ 0.02086 0.04185 -0.09690 -0.00955 0.01559 133 4XY 0.02179 -0.00202 -0.00318 0.04914 0.00924 134 4XZ 0.02590 0.06069 -0.05636 -0.00524 0.03458 135 4YZ 0.04467 0.03971 0.03653 0.06353 -0.01397 136 10 H 1S 0.14992 0.04514 0.06514 0.17528 0.12126 137 2S 0.18780 -0.04361 0.32277 0.18349 0.26524 138 11 H 1S -0.12440 -0.36452 -0.03143 -0.02756 0.16890 139 2S -0.13260 -0.37816 -0.08027 -0.03038 0.05238 140 12 H 1S 0.21785 0.29992 0.01498 0.05044 0.13522 141 2S 0.23180 0.36075 -0.01165 0.00939 0.02663 142 13 H 1S 0.00026 -0.12251 0.09667 -0.14977 0.17932 143 2S -0.01736 -0.15380 0.34918 -0.04549 0.31530 144 14 H 1S 0.14069 0.26019 -0.13284 -0.39176 0.13805 145 2S 0.22401 0.39899 -0.08694 -0.60000 0.17078 146 15 C 1S -0.01762 -0.00417 -0.00202 -0.00922 0.00669 147 2S -0.39102 -0.30037 -0.13959 -0.19317 0.09010 148 2PX 0.35177 0.07088 0.12591 -0.00731 -0.10797 149 2PY -0.01007 0.05711 0.10190 0.08579 -0.03552 150 2PZ 0.09346 -0.12657 -0.10214 -0.12287 0.07092 151 3S 1.19302 0.54602 -0.74225 -0.24043 -0.28727 152 3PX -1.21185 1.21037 -0.15281 -0.03432 0.65397 153 3PY -0.50658 -0.98815 0.18097 -0.59725 -0.09956 154 3PZ -0.19943 0.97226 0.22134 0.54907 -0.02576 155 4XX -0.06488 -0.01318 0.04019 -0.02378 0.01482 156 4YY 0.01340 0.00387 -0.01383 0.01075 -0.02459 157 4ZZ 0.03436 0.01707 -0.02977 -0.02322 0.00776 158 4XY -0.06883 -0.06585 -0.01834 -0.06190 0.03551 159 4XZ -0.03061 -0.03924 -0.05465 -0.03055 0.06000 160 4YZ -0.08151 -0.01676 -0.06812 0.09589 -0.01505 161 16 O 1S 0.00461 -0.00143 -0.02235 -0.00248 0.00979 162 2S -0.12855 0.02824 -0.26563 -0.02138 0.11641 163 2PX -0.26534 0.01405 -0.03538 0.04848 0.11633 164 2PY -0.08118 0.15791 0.08534 -0.07523 0.03418 165 2PZ 0.09787 -0.08661 0.11455 0.00916 -0.05605 166 3S 0.45523 -0.08402 1.04060 0.06487 -0.55181 167 3PX 0.85002 0.06393 -0.02337 -0.13329 -0.24486 168 3PY 0.18779 -1.08072 -0.30143 0.15370 -0.09127 169 3PZ -0.08457 0.46868 -0.24013 -0.03083 0.14549 170 4XX 0.07372 -0.02235 -0.02143 -0.01272 -0.01103 171 4YY -0.09656 0.00527 -0.09320 0.00106 0.07150 172 4ZZ -0.08478 0.03908 -0.11121 -0.00517 0.05250 173 4XY 0.03693 0.01610 0.02650 0.03942 -0.02956 174 4XZ -0.04363 0.01262 0.03142 -0.00323 0.00564 175 4YZ -0.05149 -0.01301 -0.00732 -0.01222 0.00722 176 17 C 1S -0.01548 0.01111 -0.00020 0.01056 0.00324 177 2S -0.34335 0.48998 -0.10095 0.24429 0.03039 178 2PX 0.24732 -0.20821 0.14748 -0.06864 -0.10501 179 2PY 0.20894 -0.00867 -0.11747 0.09597 0.00822 180 2PZ -0.02262 0.06906 -0.01865 0.05788 0.03871 181 3S 2.33808 -1.36890 -1.14681 -0.31691 -0.43424 182 3PX -1.71406 -0.03183 -0.24027 0.56850 0.45648 183 3PY -0.88280 -1.46218 -0.08397 -0.63392 0.35304 184 3PZ -0.29214 0.39566 0.36793 -0.01344 -0.17587 185 4XX -0.05664 0.05596 0.03180 0.09933 0.00388 186 4YY 0.11441 -0.08425 -0.01171 0.07492 -0.01614 187 4ZZ -0.01290 0.00976 -0.03569 -0.14726 -0.00902 188 4XY -0.04541 0.02767 -0.01900 -0.05429 0.03814 189 4XZ -0.00678 0.08007 -0.04967 0.02366 0.02918 190 4YZ 0.03853 0.00468 -0.02874 0.02303 0.00929 191 18 O 1S 0.00784 0.00373 -0.00979 0.01044 -0.00840 192 2S 0.03625 -0.03385 -0.27386 0.00976 -0.03469 193 2PX -0.08955 0.01526 -0.05253 0.14271 0.04148 194 2PY -0.11111 -0.12244 -0.07404 -0.09147 0.02591 195 2PZ 0.00771 0.06619 0.15520 -0.02808 -0.10770 196 3S -0.40841 -0.22551 0.66758 -0.37441 0.30335 197 3PX 0.49087 0.02951 0.09002 -0.26235 -0.22160 198 3PY 0.28925 0.22099 0.20703 0.14281 -0.01883 199 3PZ 0.11298 -0.03416 -0.34448 0.26651 0.09154 200 4XX 0.00085 0.00251 -0.02253 -0.03949 -0.03777 201 4YY -0.02909 0.02584 -0.08825 -0.03139 0.01097 202 4ZZ 0.07804 -0.03884 -0.08852 0.11396 -0.02556 203 4XY -0.02789 0.00333 0.01164 0.05762 0.03597 204 4XZ -0.02394 -0.00469 0.02099 -0.01049 0.03138 205 4YZ 0.07446 -0.04086 -0.01380 -0.01650 -0.00679 206 19 O 1S 0.00084 -0.00375 -0.00582 -0.01503 -0.00543 207 2S 0.05313 0.05471 -0.25274 -0.06935 -0.02271 208 2PX -0.08530 0.03329 -0.06836 -0.12379 0.07748 209 2PY -0.08463 -0.08324 0.14886 -0.03390 -0.04601 210 2PZ -0.04924 0.12535 0.03482 0.12807 -0.07215 211 3S -0.07087 0.24468 0.52257 0.61897 0.17888 212 3PX 0.41454 -0.22541 0.14464 0.19249 -0.27148 213 3PY 0.13913 0.08395 -0.30138 -0.13061 -0.00266 214 3PZ 0.15558 -0.31190 -0.04451 -0.32589 0.13048 215 4XX 0.00687 0.00128 -0.02308 -0.00898 -0.02691 216 4YY -0.01047 0.00530 -0.06152 -0.02769 -0.00314 217 4ZZ 0.04153 0.01831 -0.08632 -0.05827 -0.00512 218 4XY 0.03590 0.01269 0.02372 0.04867 -0.03029 219 4XZ -0.00246 -0.00994 0.00146 0.00093 0.04951 220 4YZ 0.03769 0.00296 0.02825 -0.07761 0.02424 221 20 H 1S 0.11521 0.09496 -0.05943 -0.23535 -0.16404 222 2S -0.09516 0.23065 0.08539 -0.23563 -0.44313 223 21 H 1S -0.00727 -0.07256 -0.11737 0.14466 -0.19448 224 2S -0.19788 -0.05689 0.00097 0.13619 -0.46879 225 22 H 1S 0.26833 -0.29949 -0.23126 0.36025 -0.02911 226 2S 0.43348 -0.40089 -0.23802 0.57271 -0.11155 227 23 H 1S 0.24477 -0.11576 -0.03521 -0.38396 0.01194 228 2S 0.27985 -0.21184 0.09454 -0.53305 -0.02949 229 24 H 1S -0.04641 0.00476 -0.16267 -0.03730 -0.04755 230 2S -0.00273 0.26737 -0.09415 0.41609 0.03670 231 25 H 1S 0.08185 0.17970 -0.03921 0.07947 0.10662 232 2S -0.04270 0.02429 -0.20324 0.17144 -0.09246 233 26 H 1S 0.10821 0.01315 -0.05943 -0.03459 -0.01043 234 2S 0.29469 0.02974 -0.36599 -0.09777 0.10636 141 142 143 144 145 V V V V V Eigenvalues -- 1.31324 1.33757 1.38441 1.38742 1.41800 1 1 C 1S 0.00441 -0.04968 -0.06176 -0.03450 0.01561 2 2S 0.09172 -0.80283 -0.93173 -0.36039 0.25107 3 2PX 0.00733 -0.01004 -0.02481 0.00594 -0.03900 4 2PY 0.02401 0.03455 -0.04454 -0.08435 -0.00897 5 2PZ -0.05779 0.00556 0.09564 -0.01933 -0.00034 6 3S -0.07794 2.64201 3.57526 2.49152 -1.13463 7 3PX 0.08892 0.19104 0.20711 0.19410 -0.05392 8 3PY -0.08024 -0.53246 -0.69854 -0.63747 0.27643 9 3PZ 0.01941 -0.16641 -0.43643 -0.36878 0.15413 10 4XX -0.02966 -0.05740 -0.04591 -0.03051 0.05853 11 4YY 0.04159 0.00724 -0.05536 -0.02068 -0.04123 12 4ZZ -0.00241 -0.03472 0.00101 0.00868 0.00678 13 4XY 0.00715 -0.00087 -0.03226 -0.00157 -0.03871 14 4XZ 0.04607 -0.00087 -0.07060 -0.02562 -0.13182 15 4YZ 0.00469 0.03647 0.07809 0.06058 -0.04684 16 2 C 1S 0.01234 0.02723 0.01156 -0.00337 -0.00279 17 2S 0.20228 0.63458 0.19207 -0.13710 -0.04983 18 2PX 0.04074 0.08162 0.08774 -0.03775 0.01642 19 2PY 0.05087 -0.02984 0.11877 0.15379 -0.07655 20 2PZ -0.02936 0.04236 0.21360 0.20242 -0.07052 21 3S -0.68141 -2.59051 -1.59231 0.93953 0.32823 22 3PX -0.02468 -0.12864 0.12703 0.51977 -0.11549 23 3PY -0.30542 -0.20718 -0.93744 -2.43843 0.65937 24 3PZ 0.44771 -0.55830 -2.02041 -1.65867 0.52956 25 4XX -0.02487 -0.07262 -0.08511 -0.02218 -0.03988 26 4YY 0.03319 0.00907 0.07017 0.06343 0.05907 27 4ZZ 0.00746 0.08074 -0.01168 -0.04503 -0.00717 28 4XY 0.01099 0.00394 0.06557 0.04260 0.18766 29 4XZ -0.19267 -0.02767 -0.00123 -0.08785 -0.07100 30 4YZ -0.03581 0.02007 0.05639 0.00046 -0.05701 31 3 C 1S 0.00962 -0.02782 -0.00879 0.00998 0.00169 32 2S 0.18082 -0.54567 -0.04356 0.37234 -0.07600 33 2PX 0.02011 0.01349 0.02522 0.09505 0.00363 34 2PY 0.00158 0.01343 0.02605 0.01462 -0.00676 35 2PZ 0.02336 0.18852 0.03486 -0.06573 -0.05100 36 3S -0.77263 1.93880 0.47149 -1.97503 0.35482 37 3PX 0.00458 0.06774 -0.16539 0.03611 0.11452 38 3PY 0.07727 0.10828 0.71302 -0.44135 -0.08627 39 3PZ -0.02957 -0.79021 0.75419 2.09263 -0.27524 40 4XX 0.04207 0.04009 -0.00362 -0.04973 0.09620 41 4YY -0.05107 -0.04628 -0.03040 0.01651 -0.05266 42 4ZZ 0.02233 -0.03759 0.02163 0.02224 -0.03523 43 4XY -0.14896 -0.01458 -0.10973 -0.05021 -0.16758 44 4XZ -0.10230 0.03407 0.01392 0.05995 0.04831 45 4YZ -0.03739 -0.04511 -0.00299 0.06014 0.00275 46 4 C 1S -0.00500 0.00469 -0.02569 -0.01690 0.02593 47 2S -0.10905 0.08922 -0.28868 -0.03529 0.23878 48 2PX -0.01459 0.11528 -0.06920 0.04510 -0.02302 49 2PY -0.02684 -0.17467 0.15976 0.14818 -0.04727 50 2PZ -0.04599 0.12574 -0.04004 0.09750 -0.01837 51 3S 0.18549 -0.94457 1.65837 1.95159 -1.39108 52 3PX -0.22905 -0.34001 0.12116 -0.24476 -0.13824 53 3PY 0.18729 0.36198 -0.64200 0.20595 0.17227 54 3PZ 0.29516 -0.63519 0.21517 -0.59492 0.23222 55 4XX -0.08774 0.00486 0.07037 0.00358 -0.07805 56 4YY 0.06967 0.02243 0.01394 0.05471 0.01858 57 4ZZ 0.00450 -0.03725 -0.10304 -0.04040 0.08217 58 4XY 0.19273 0.03329 0.05952 -0.05106 0.04122 59 4XZ 0.07403 0.02431 0.05648 -0.03774 0.05808 60 4YZ 0.00818 -0.06372 0.08336 0.03795 -0.03549 61 5 C 1S -0.00947 0.00343 0.01099 0.01987 -0.04705 62 2S -0.13485 -0.22816 0.16718 0.43082 -0.63945 63 2PX 0.03841 -0.02505 0.01190 0.04926 -0.07644 64 2PY 0.08346 -0.00989 0.04598 0.07459 -0.05485 65 2PZ -0.00187 0.03400 0.04444 0.08460 0.04346 66 3S 0.56171 -0.01938 -0.05234 -1.51539 2.42212 67 3PX -0.04248 -0.25863 0.10089 0.34221 0.42699 68 3PY -0.46879 0.00412 0.34021 -0.12156 -0.25842 69 3PZ 0.06914 -0.56521 -0.15337 -0.10813 0.27013 70 4XX 0.16790 0.02121 -0.08424 -0.03677 0.05333 71 4YY -0.07677 -0.03922 -0.00765 0.00632 -0.04014 72 4ZZ -0.10817 0.01273 0.12360 0.05648 -0.07349 73 4XY -0.22109 -0.06411 -0.07027 -0.02071 0.00154 74 4XZ -0.03075 -0.00304 0.02106 -0.01273 0.03952 75 4YZ -0.01182 -0.00612 -0.01471 -0.04563 0.01392 76 6 C 1S -0.01584 0.02292 0.01979 -0.00629 -0.04483 77 2S -0.21571 0.60660 0.19257 -0.27254 -0.55206 78 2PX 0.04509 0.04494 0.03848 -0.03823 -0.09317 79 2PY -0.05084 -0.00584 0.04448 0.00244 0.01504 80 2PZ 0.06214 0.07577 0.04801 -0.04986 -0.00009 81 3S 0.80800 -1.14776 -1.35746 0.91129 2.29854 82 3PX -0.18181 -0.08133 -0.17252 -0.17690 0.44198 83 3PY 0.20513 0.06840 -0.26414 -0.36528 0.83266 84 3PZ -0.33570 0.05646 -0.45756 0.01675 0.11381 85 4XX 0.02019 -0.05710 -0.09552 -0.09261 0.02772 86 4YY 0.01908 0.06201 0.08754 0.04955 -0.03892 87 4ZZ -0.06803 0.05381 0.03152 0.04682 -0.04337 88 4XY 0.16484 -0.05576 -0.00963 0.04154 0.05639 89 4XZ -0.19641 -0.02333 -0.08339 -0.05043 0.01862 90 4YZ -0.11005 0.02223 0.05056 0.02822 -0.01806 91 7 C 1S -0.00751 -0.00192 -0.01373 -0.00560 0.02269 92 2S -0.16667 0.08218 -0.05268 -0.18886 0.23158 93 2PX -0.01298 0.00554 0.05728 -0.05120 -0.01474 94 2PY -0.05173 -0.19654 0.21804 0.04530 -0.04598 95 2PZ -0.04436 0.08979 -0.02337 -0.14015 0.00723 96 3S 0.51617 0.65298 -0.01670 -0.93358 -0.83277 97 3PX -0.23000 -0.02714 -0.21807 -0.12660 -0.18699 98 3PY 0.24271 0.79789 -0.87820 0.52734 -0.00492 99 3PZ 0.55502 -0.46455 -0.58254 -0.15937 0.38240 100 4XX 0.03041 0.05995 0.03011 0.06298 -0.06102 101 4YY -0.04983 -0.08742 -0.00452 -0.03843 0.07515 102 4ZZ -0.00091 0.06123 -0.03057 -0.05720 0.01317 103 4XY -0.08691 0.05750 0.00707 0.03226 -0.04271 104 4XZ 0.20214 0.02629 0.03265 0.12383 0.05258 105 4YZ 0.05858 -0.07114 -0.15967 -0.05048 0.08826 106 8 C 1S 0.00690 0.03443 0.03133 -0.00184 -0.01400 107 2S -0.03965 0.52858 0.35542 -0.20401 -0.11829 108 2PX 0.08190 0.07812 -0.02793 -0.02400 0.01973 109 2PY -0.03160 -0.01942 -0.00034 -0.02418 0.00284 110 2PZ -0.03641 0.02969 -0.02258 -0.01726 0.02184 111 3S 0.07174 -1.21458 -1.56128 0.81377 0.47454 112 3PX -0.05292 -0.03017 -0.20473 0.24855 0.12827 113 3PY -0.05957 -0.04130 -0.11895 -0.30765 0.16382 114 3PZ 0.08449 0.11391 -0.18673 -0.13899 -0.05752 115 4XX -0.06355 -0.04471 -0.03409 -0.02586 0.02959 116 4YY 0.09018 0.07412 0.02939 0.04618 -0.01136 117 4ZZ -0.02899 0.03545 0.05160 -0.01679 -0.04731 118 4XY 0.09068 0.01714 -0.04902 0.00017 0.04457 119 4XZ -0.17763 -0.00449 0.01480 0.00197 -0.01939 120 4YZ -0.01566 0.03306 0.02212 0.02635 -0.03176 121 9 C 1S 0.01078 -0.00731 0.02580 0.02988 -0.01781 122 2S 0.01570 -0.22805 0.25560 0.45503 -0.19603 123 2PX 0.07187 -0.05134 -0.02355 -0.00012 0.03413 124 2PY 0.01263 -0.02209 0.05735 0.00427 0.00281 125 2PZ -0.06799 0.01823 -0.00553 0.00028 -0.02233 126 3S -0.19513 0.44298 -0.54778 -1.82826 0.73486 127 3PX -0.11724 -0.03084 -0.17500 -0.32086 0.11826 128 3PY 0.02392 -0.05259 0.36035 -0.04236 -0.07669 129 3PZ 0.15541 -0.26738 -0.28592 0.12259 0.21672 130 4XX 0.04590 -0.01749 -0.02254 -0.03272 0.03011 131 4YY -0.07494 -0.00037 0.00139 0.03130 -0.02245 132 4ZZ 0.03213 0.00518 0.06267 0.03686 -0.03948 133 4XY -0.19112 0.01064 -0.02761 -0.01323 -0.02034 134 4XZ -0.02673 -0.01229 0.03737 -0.01102 0.01593 135 4YZ -0.04118 -0.00903 -0.03548 0.00816 -0.00270 136 10 H 1S 0.10016 -0.11281 0.10837 0.19472 -0.04897 137 2S 0.09013 -0.17743 0.07219 0.20040 -0.00095 138 11 H 1S 0.07064 -0.01872 0.13547 0.09991 -0.07968 139 2S -0.13624 -0.05319 0.13065 0.12305 -0.11695 140 12 H 1S 0.07786 0.15780 0.12435 0.03621 -0.03110 141 2S -0.14278 0.19198 0.15589 0.01177 -0.04821 142 13 H 1S 0.07006 0.16209 0.05366 -0.12047 -0.03307 143 2S 0.05455 0.17690 0.05409 -0.12798 -0.01520 144 14 H 1S -0.06248 -0.24575 0.04032 -0.04360 0.14334 145 2S -0.07410 -0.41926 0.19270 -0.11988 0.03759 146 15 C 1S 0.00637 -0.00017 -0.01216 0.00694 0.01102 147 2S -0.05070 0.03481 -0.22750 -0.00136 0.15938 148 2PX 0.05768 0.03911 0.08051 -0.03552 -0.08021 149 2PY -0.01349 -0.05043 -0.06049 -0.02786 0.06844 150 2PZ -0.05757 -0.04016 0.00995 0.00942 -0.04551 151 3S -0.12817 1.66276 0.83891 0.16116 -1.75105 152 3PX -0.12307 0.87143 -0.97367 -0.11395 0.90839 153 3PY -0.08799 -0.02241 -0.02251 0.16419 0.36597 154 3PZ 0.41603 0.50956 -0.22314 -0.22696 0.56227 155 4XX -0.08183 -0.04798 0.05341 -0.16104 -0.04573 156 4YY 0.00850 0.00119 -0.01399 -0.06325 -0.06404 157 4ZZ 0.06603 0.14294 -0.03391 0.21636 0.07434 158 4XY -0.09029 -0.02891 -0.04917 0.18480 0.15407 159 4XZ 0.10662 0.02077 -0.11989 0.09352 0.11600 160 4YZ 0.20385 -0.12801 0.05342 -0.21615 -0.22315 161 16 O 1S -0.00120 0.00495 0.00815 0.00253 -0.01347 162 2S -0.18923 -0.00453 0.00089 -0.03866 -0.10925 163 2PX 0.05379 -0.10542 0.04515 0.04303 0.09739 164 2PY 0.07216 0.40906 -0.15195 -0.10685 0.10893 165 2PZ 0.20058 -0.17991 0.05845 0.06062 0.08121 166 3S 0.21947 -0.05344 -0.10013 0.05352 0.39531 167 3PX -0.04965 0.47709 -0.04285 -0.06129 -0.30601 168 3PY -0.11946 -1.60283 0.62358 0.35600 -0.45282 169 3PZ -0.44512 0.70014 -0.30478 -0.23755 -0.36257 170 4XX -0.13582 0.08011 0.06969 0.09404 0.20280 171 4YY -0.05764 -0.01447 -0.16050 0.11809 -0.09611 172 4ZZ 0.07298 -0.05535 0.12035 -0.22394 -0.20775 173 4XY -0.03335 -0.11148 0.09243 -0.10359 -0.03700 174 4XZ -0.06087 -0.03500 -0.14148 -0.12531 -0.19871 175 4YZ 0.03998 0.06728 -0.17289 0.20670 -0.15080 176 17 C 1S 0.00964 -0.00684 0.00883 -0.00750 0.00957 177 2S -0.00604 -0.14330 0.15541 -0.02423 0.12503 178 2PX 0.04515 0.01076 -0.04434 0.05503 -0.05723 179 2PY 0.00044 0.08174 0.03923 0.03509 -0.09857 180 2PZ -0.06061 0.02859 -0.01265 -0.03194 0.03320 181 3S -0.09294 -0.30153 0.81813 0.56161 -1.75566 182 3PX -0.05139 -1.20396 0.60770 -0.09379 0.58182 183 3PY 0.26298 -0.99244 0.00624 0.04564 0.23718 184 3PZ 0.27358 -0.25389 0.24455 0.26094 0.40995 185 4XX -0.15262 0.00788 -0.02149 0.04604 0.02640 186 4YY -0.01645 -0.11316 0.22829 -0.09510 0.15474 187 4ZZ 0.17575 0.03922 -0.16613 0.08037 -0.22785 188 4XY 0.11418 -0.01058 -0.15966 0.06403 -0.09074 189 4XZ 0.06356 0.00858 0.05757 -0.14629 0.14759 190 4YZ 0.05613 -0.00408 0.16428 -0.13556 0.15480 191 18 O 1S -0.00066 -0.00479 0.01912 0.00706 -0.00829 192 2S 0.10675 0.11200 0.35310 -0.03557 -0.18045 193 2PX -0.09442 -0.09343 -0.04660 0.03530 0.00554 194 2PY 0.04377 0.04387 0.08058 -0.04553 -0.01502 195 2PZ -0.05416 -0.15363 0.01543 0.03531 0.07115 196 3S -0.12198 -0.01964 -1.11994 -0.17262 0.53911 197 3PX 0.18350 0.32110 0.01708 0.05813 -0.22135 198 3PY -0.12493 0.16801 -0.30487 -0.02479 0.08308 199 3PZ -0.08088 0.17963 0.26012 -0.09855 -0.15503 200 4XX 0.04563 0.02630 -0.04379 0.08522 -0.13938 201 4YY 0.09726 0.06607 0.02528 -0.01648 -0.02263 202 4ZZ -0.07739 -0.03537 0.27854 -0.05845 0.03904 203 4XY -0.04912 0.02099 0.03826 -0.10446 0.16676 204 4XZ 0.04115 0.04330 -0.00472 -0.06663 0.08815 205 4YZ 0.04276 -0.00850 -0.03154 0.04292 -0.03597 206 19 O 1S -0.00317 0.01669 0.00426 0.00623 -0.00577 207 2S 0.10304 0.11130 0.09224 0.29147 -0.18297 208 2PX -0.08732 0.04110 0.00091 -0.03863 0.00266 209 2PY -0.10888 0.06890 -0.10450 -0.14842 0.08803 210 2PZ 0.01597 0.05492 -0.03391 0.05398 0.04851 211 3S -0.02794 -0.69291 -0.28696 -0.62652 0.48604 212 3PX 0.20508 -0.22142 0.19302 -0.00415 -0.22226 213 3PY 0.06467 0.16610 0.15923 0.31894 -0.24198 214 3PZ -0.20848 -0.14168 0.05620 0.07400 -0.06708 215 4XX 0.01602 -0.02971 0.01881 -0.01591 -0.04028 216 4YY 0.00230 0.02866 -0.00086 0.13778 -0.00482 217 4ZZ 0.03726 0.11764 0.06131 0.06348 -0.07074 218 4XY 0.08096 -0.01423 0.03354 -0.09741 -0.08343 219 4XZ 0.03284 -0.08787 -0.03955 0.09967 0.14309 220 4YZ -0.13131 0.08377 -0.03381 0.15155 0.11091 221 20 H 1S -0.12855 0.14131 -0.00466 -0.13356 -0.16335 222 2S -0.13238 0.16213 -0.14187 -0.13361 -0.13565 223 21 H 1S -0.09800 -0.09854 0.05681 0.13835 -0.22660 224 2S -0.09217 -0.25701 -0.03101 0.03595 -0.21602 225 22 H 1S -0.01771 0.18378 -0.27853 -0.08525 0.18263 226 2S -0.00800 0.41732 -0.37748 -0.02054 0.08039 227 23 H 1S 0.04823 -0.03464 -0.22911 -0.36406 0.08247 228 2S 0.10838 0.14800 -0.23596 -0.57808 0.01293 229 24 H 1S -0.04034 -0.14159 -0.16749 -0.11563 0.07932 230 2S 0.10337 -0.31601 -0.37828 -0.12905 0.04887 231 25 H 1S 0.05327 -0.15485 -0.22074 -0.09920 0.02192 232 2S 0.07260 -0.21432 -0.29929 -0.08130 0.09792 233 26 H 1S 0.01867 -0.20840 -0.24196 -0.14631 0.05222 234 2S -0.04381 -0.29615 -0.28111 -0.14509 0.10112 146 147 148 149 150 V V V V V Eigenvalues -- 1.48032 1.48867 1.55682 1.56055 1.60460 1 1 C 1S -0.07296 0.00696 0.01546 0.03257 0.01488 2 2S -0.86864 0.11789 0.19401 0.44639 0.23633 3 2PX 0.04591 0.07697 -0.02124 0.01363 -0.03249 4 2PY -0.06539 0.02501 0.01889 0.00199 -0.02687 5 2PZ 0.00884 0.00020 -0.04447 -0.07147 0.02262 6 3S 4.18219 -0.55382 -0.83919 -1.46829 -0.80160 7 3PX 0.18965 -0.11399 -0.01874 -0.04887 -0.02051 8 3PY -1.07837 0.11095 0.14557 0.31066 0.25151 9 3PZ -0.56419 0.06724 0.22095 0.27089 -0.02048 10 4XX -0.03275 -0.05714 -0.01174 -0.03948 0.09616 11 4YY -0.05474 0.05243 0.05510 0.09893 -0.10870 12 4ZZ 0.00912 0.01218 -0.02932 -0.02680 0.02776 13 4XY 0.05817 0.11705 -0.08856 0.02379 -0.07835 14 4XZ 0.03527 0.24425 -0.03384 0.02212 -0.16654 15 4YZ 0.11810 0.03087 -0.05495 -0.05461 -0.02256 16 2 C 1S 0.01380 0.00287 0.00633 -0.01156 -0.01750 17 2S 0.18806 0.10119 0.06505 -0.27767 -0.26314 18 2PX -0.14733 -0.08521 0.09321 -0.09169 -0.06256 19 2PY 0.15928 -0.06543 -0.00145 0.00563 -0.06665 20 2PZ 0.18929 -0.07250 -0.00058 -0.02758 -0.03347 21 3S -1.16827 0.00789 -0.87723 0.76450 1.91723 22 3PX 0.60483 0.04178 -0.39979 0.08245 -0.01041 23 3PY -2.21798 0.35282 0.72343 0.19148 -0.37575 24 3PZ -2.37929 0.39056 0.54322 0.69861 0.23480 25 4XX 0.07817 0.08830 -0.02949 0.02891 0.10305 26 4YY -0.04344 -0.11808 -0.02114 -0.00390 0.01461 27 4ZZ -0.02670 0.02374 0.04128 -0.01486 -0.07744 28 4XY -0.12418 -0.32330 -0.03499 -0.00207 0.00896 29 4XZ 0.03338 0.09727 0.26441 -0.16566 0.26799 30 4YZ 0.01826 -0.02058 0.07039 -0.01751 0.03933 31 3 C 1S -0.00719 0.00733 -0.00992 0.00617 0.01355 32 2S -0.10941 0.16127 -0.21561 0.04339 0.24848 33 2PX -0.08355 -0.05652 -0.13936 0.05479 -0.05228 34 2PY -0.04862 -0.01361 -0.04740 0.01670 -0.04507 35 2PZ 0.02461 -0.05056 0.03843 0.06486 -0.14020 36 3S 0.01268 -0.32694 0.94544 -0.82202 -0.89933 37 3PX -0.08613 -0.17009 0.07641 -0.13602 0.20368 38 3PY 0.28061 -0.01416 0.36789 0.09564 -0.78081 39 3PZ 0.72295 0.03132 -0.81936 -0.22124 1.03451 40 4XX -0.00747 -0.14516 0.04630 -0.04119 -0.06940 41 4YY 0.06168 0.14937 -0.04361 -0.01626 0.04771 42 4ZZ -0.05733 -0.01080 0.01095 0.05818 0.03540 43 4XY 0.12407 0.26416 -0.00228 0.02896 0.15198 44 4XZ -0.04096 -0.08813 -0.18148 0.07874 -0.01129 45 4YZ 0.01323 -0.01438 -0.08345 0.01033 0.03282 46 4 C 1S 0.04680 -0.00119 -0.00528 -0.04673 0.00023 47 2S 0.67786 -0.08889 -0.23613 -0.66975 0.07550 48 2PX -0.09218 -0.03695 -0.16088 -0.01210 -0.03012 49 2PY 0.10233 -0.02234 -0.05586 0.02098 0.05935 50 2PZ 0.00487 -0.03743 -0.02427 -0.03556 0.06567 51 3S -1.63813 0.04642 -0.19580 2.39242 0.57808 52 3PX 0.64203 0.64533 0.61657 0.12140 0.18761 53 3PY -0.15676 0.34777 -0.34257 -0.11983 -0.03206 54 3PZ 0.62136 0.14172 0.31709 -0.05260 -0.72843 55 4XX -0.02200 0.01014 0.00040 0.11210 0.10433 56 4YY -0.05719 -0.02325 0.06076 -0.09304 0.10845 57 4ZZ 0.13166 0.01152 -0.07152 -0.04726 -0.18721 58 4XY -0.04061 -0.05211 0.20499 -0.18607 -0.03145 59 4XZ -0.06507 -0.04024 0.05443 -0.08151 -0.02538 60 4YZ -0.00968 -0.01123 -0.01340 0.01766 0.03494 61 5 C 1S 0.00096 0.01498 0.01353 0.00905 0.01413 62 2S 0.16366 0.20632 0.10448 0.05352 0.12137 63 2PX -0.02536 -0.13858 0.18272 0.08599 0.19915 64 2PY -0.02157 0.05164 0.03069 -0.00921 -0.09437 65 2PZ 0.05888 -0.07927 0.08542 0.04083 0.03422 66 3S 0.11092 -0.36072 -0.40089 -0.87539 -1.67745 67 3PX -0.07695 0.77280 -0.86459 0.12548 -1.03978 68 3PY 0.00511 0.06827 -0.27193 0.42249 0.59697 69 3PZ 0.12942 0.21933 -0.16892 -0.60111 -0.69205 70 4XX 0.09768 0.03592 0.18361 0.00844 -0.02771 71 4YY 0.15541 -0.09050 0.00619 0.11696 -0.01349 72 4ZZ -0.23609 0.07096 -0.17512 -0.12322 0.04357 73 4XY 0.11340 -0.17296 -0.11040 0.07169 -0.06017 74 4XZ -0.06979 -0.02630 -0.06814 -0.04016 -0.01305 75 4YZ 0.05738 -0.06710 0.05375 0.06391 -0.01430 76 6 C 1S 0.00132 0.01864 0.00265 0.01469 -0.00321 77 2S 0.10551 0.24219 -0.00860 0.11154 -0.08992 78 2PX -0.03808 -0.07047 -0.01518 0.16913 0.10149 79 2PY 0.08444 -0.08537 -0.00705 0.11420 0.05340 80 2PZ 0.02237 0.06902 -0.04030 0.07139 -0.12285 81 3S 0.03929 -0.48781 -0.54905 -0.66577 0.75237 82 3PX -0.76229 0.50071 0.94846 -0.30768 0.91339 83 3PY -0.39028 -0.05815 -0.36322 -0.37533 0.64158 84 3PZ -0.29192 -0.18367 0.13064 -0.14669 0.81711 85 4XX 0.16313 -0.02542 0.00705 0.14175 -0.03575 86 4YY -0.15644 0.09895 -0.04243 -0.14603 0.08908 87 4ZZ 0.01269 -0.05887 0.03111 0.01301 -0.02307 88 4XY -0.04886 0.08698 -0.06114 0.07498 0.07375 89 4XZ 0.04746 -0.15079 0.06265 0.00517 -0.14475 90 4YZ -0.18273 -0.00152 -0.02714 -0.19432 0.01496 91 7 C 1S 0.05899 0.00057 -0.03320 -0.03537 -0.00747 92 2S 0.79526 -0.05581 -0.41916 -0.65024 -0.15405 93 2PX -0.08318 -0.06049 0.07152 -0.11488 -0.03065 94 2PY 0.02629 -0.04046 -0.05070 -0.08331 0.04471 95 2PZ -0.04781 0.00084 0.02731 -0.00385 -0.01117 96 3S -3.48389 0.16939 2.15536 1.80460 -0.17462 97 3PX 0.38537 0.84059 0.10866 0.30934 0.35202 98 3PY 0.95401 0.11507 -0.20663 0.41147 0.11818 99 3PZ -0.04494 0.11278 -0.05846 -0.09278 -0.10410 100 4XX 0.01731 -0.00361 -0.07133 0.05526 0.06438 101 4YY 0.02942 0.00097 0.02135 -0.04857 0.01735 102 4ZZ 0.00797 0.00540 0.03331 -0.03625 -0.10218 103 4XY -0.03470 -0.00280 0.12555 -0.01135 0.01173 104 4XZ -0.05322 -0.04121 -0.32120 0.06182 -0.06582 105 4YZ -0.04803 0.00280 -0.00163 0.05992 -0.06269 106 8 C 1S -0.02783 -0.03645 0.01620 0.01722 -0.03265 107 2S -0.26388 -0.59498 0.23341 0.24273 -0.42649 108 2PX 0.16133 -0.08857 -0.05941 0.07016 -0.06552 109 2PY 0.07165 0.02231 0.02414 -0.06362 0.02213 110 2PZ -0.01161 -0.07099 0.05302 -0.02276 0.08694 111 3S 1.63745 1.36241 -0.99535 -0.39650 1.53277 112 3PX 0.19457 0.17116 0.14174 -0.40194 0.57073 113 3PY 0.56159 0.40076 -0.15031 -0.17553 -0.27212 114 3PZ 0.01370 0.27705 -0.44290 0.44612 -0.26473 115 4XX -0.08014 -0.03562 0.04725 -0.08315 0.00231 116 4YY 0.02710 -0.03333 -0.03850 0.10178 0.06537 117 4ZZ 0.04010 0.01180 -0.00085 0.00293 -0.10132 118 4XY 0.03787 0.02791 -0.06575 -0.06329 -0.02437 119 4XZ -0.02833 -0.07671 0.02843 0.06842 -0.03934 120 4YZ 0.01377 -0.00798 0.00975 0.12919 0.02381 121 9 C 1S -0.03105 -0.04052 0.00159 0.03045 0.02817 122 2S -0.28422 -0.64847 0.06295 0.40400 0.36892 123 2PX 0.11404 -0.11326 0.09509 -0.01235 0.08639 124 2PY 0.03654 -0.08509 0.05580 0.01026 -0.00377 125 2PZ 0.06853 0.04428 -0.06105 -0.00685 -0.03145 126 3S 1.59563 1.50168 0.45179 -1.35258 -1.42014 127 3PX 0.36731 0.59881 -0.36255 -0.12110 -0.62924 128 3PY -0.17570 -0.10365 0.20627 -0.03771 -0.15732 129 3PZ 0.23886 -0.05711 0.42998 -0.30925 0.65820 130 4XX 0.01982 0.04000 -0.08046 -0.11628 -0.10785 131 4YY -0.02505 -0.05236 -0.04050 0.02518 -0.02911 132 4ZZ -0.02300 -0.04995 0.13440 0.12154 0.14580 133 4XY -0.08199 -0.05741 -0.04447 0.13336 -0.03303 134 4XZ 0.00407 -0.06435 0.06380 0.01948 0.02904 135 4YZ 0.00798 0.00585 -0.04393 -0.02176 -0.04557 136 10 H 1S -0.12734 -0.23137 0.11146 0.06379 0.26102 137 2S -0.16640 -0.20519 0.09656 0.08325 0.23404 138 11 H 1S -0.08352 -0.08764 -0.07991 0.13811 -0.01365 139 2S -0.11965 0.02275 -0.18350 0.16166 -0.16067 140 12 H 1S -0.08861 -0.16413 0.12658 -0.02246 -0.03441 141 2S -0.15268 -0.11856 0.20526 -0.10456 0.09153 142 13 H 1S -0.18272 -0.12049 -0.01587 0.17860 -0.13887 143 2S -0.15841 -0.03879 -0.02773 0.18645 -0.25759 144 14 H 1S 0.17346 0.01788 -0.13936 -0.26735 -0.02423 145 2S -0.00357 -0.00277 -0.12899 -0.26860 -0.00324 146 15 C 1S -0.01532 0.01467 -0.00318 0.00336 0.01709 147 2S -0.00804 0.15756 -0.14551 0.34204 0.43411 148 2PX -0.03778 -0.03339 0.05526 -0.10015 -0.03715 149 2PY 0.00982 -0.08447 0.03248 -0.04326 0.02549 150 2PZ -0.02360 -0.00608 -0.03268 0.01656 -0.01232 151 3S -0.53353 0.15010 -0.06861 0.45523 -1.95471 152 3PX -0.57669 0.21924 -0.52711 0.51192 1.14568 153 3PY -0.55511 0.33138 0.16520 0.10620 0.76929 154 3PZ -0.25829 0.18459 0.07756 -0.00947 0.25108 155 4XX -0.17866 -0.00908 -0.05546 -0.24220 0.01107 156 4YY 0.02308 -0.06546 -0.02728 0.08076 0.01404 157 4ZZ 0.14305 0.08170 0.09532 0.17082 -0.03811 158 4XY -0.00400 0.05173 0.11182 0.00678 -0.07718 159 4XZ 0.11501 0.04440 -0.15636 0.10804 0.06315 160 4YZ 0.10179 -0.07902 -0.15451 0.10445 -0.00116 161 16 O 1S -0.02290 0.02233 0.00150 0.00688 -0.05304 162 2S -0.20612 0.18659 0.12899 0.35024 -0.93652 163 2PX -0.02729 0.04701 -0.01635 -0.11594 0.09553 164 2PY -0.07051 0.00778 -0.11891 0.04822 0.30163 165 2PZ 0.04811 0.01611 0.01667 -0.09313 -0.08617 166 3S 0.80628 -0.76865 -0.21895 -0.71081 2.92060 167 3PX -0.05792 0.04388 -0.03565 0.31116 -0.40700 168 3PY 0.25713 0.03846 0.53950 -0.37202 -1.42037 169 3PZ -0.19488 -0.17007 -0.23605 0.21250 0.41088 170 4XX 0.00925 0.17392 0.13397 0.30798 -0.18544 171 4YY -0.07721 0.01104 0.00445 -0.02669 -0.41945 172 4ZZ -0.12341 -0.01237 -0.05391 -0.05793 -0.01499 173 4XY 0.04666 -0.07464 0.06634 0.00943 -0.07959 174 4XZ 0.00488 -0.24670 -0.10080 -0.03619 -0.03335 175 4YZ -0.00825 -0.09480 -0.02279 -0.05891 0.09495 176 17 C 1S -0.00773 0.01398 0.00480 -0.00709 -0.02037 177 2S 0.13583 0.07247 0.35339 -0.03053 -0.29352 178 2PX -0.00930 -0.01919 -0.14052 -0.00610 0.02733 179 2PY -0.03437 0.02049 0.01054 -0.02216 -0.05327 180 2PZ 0.02102 -0.08195 -0.02625 -0.01506 0.03830 181 3S -0.81048 0.11250 0.34329 0.41316 -0.35026 182 3PX -0.01835 0.43178 0.53003 -0.38793 -1.64461 183 3PY 0.20814 0.31048 0.15075 -0.16110 -1.39514 184 3PZ -0.17622 0.39055 -0.19001 0.05267 -0.47986 185 4XX -0.15157 0.02579 -0.26057 -0.06806 -0.03721 186 4YY 0.06673 0.10323 0.03544 0.04787 -0.02969 187 4ZZ 0.07441 -0.11596 0.23307 0.03626 0.06237 188 4XY -0.00153 -0.05193 0.09609 -0.21039 -0.10789 189 4XZ 0.08851 -0.02208 0.14756 0.00314 0.01216 190 4YZ 0.06166 0.10353 0.08587 0.11791 0.11441 191 18 O 1S -0.01451 0.00998 0.00089 0.00337 -0.01291 192 2S -0.41307 0.35883 -0.07339 0.01695 -0.19432 193 2PX 0.07398 -0.11877 0.07529 -0.03116 -0.07284 194 2PY -0.12128 0.13490 -0.09407 0.00277 -0.03045 195 2PZ 0.10487 -0.03524 -0.00982 0.06380 0.00099 196 3S 1.07517 -0.79274 0.04847 -0.13291 0.62282 197 3PX -0.17254 0.12900 -0.17533 0.10738 0.29914 198 3PY 0.30025 -0.31646 0.02832 -0.03262 0.45354 199 3PZ -0.28160 0.10739 0.01223 -0.03320 -0.04760 200 4XX -0.08843 0.04583 -0.04930 -0.10027 -0.03944 201 4YY -0.07969 0.05018 0.09575 -0.02284 -0.11134 202 4ZZ -0.10914 0.13812 -0.09418 0.13628 0.02428 203 4XY -0.01236 0.03269 -0.12074 -0.08245 -0.00517 204 4XZ 0.03419 0.00655 -0.02176 -0.07598 0.07652 205 4YZ 0.07582 -0.06202 0.09513 0.03181 0.06764 206 19 O 1S -0.02247 0.01001 0.00335 0.00689 -0.00133 207 2S -0.49003 0.33782 0.09230 -0.02412 -0.18861 208 2PX 0.01243 -0.06566 -0.07000 0.01676 0.02003 209 2PY 0.12558 -0.12068 -0.02048 0.11407 0.13329 210 2PZ -0.05189 0.05861 0.09531 -0.04469 -0.01785 211 3S 1.41320 -0.80468 -0.23077 -0.20507 0.27631 212 3PX 0.08981 0.04092 0.16879 -0.12963 -0.20156 213 3PY -0.49503 0.28596 0.07786 -0.00947 -0.25892 214 3PZ 0.12481 -0.11020 -0.10067 -0.00604 -0.01782 215 4XX -0.14598 0.06243 -0.02433 -0.13200 0.04123 216 4YY -0.17466 0.11747 0.06092 -0.01639 -0.03452 217 4ZZ -0.01955 0.03824 0.02363 0.13959 -0.10816 218 4XY 0.07702 -0.03643 -0.05786 -0.01123 -0.00369 219 4XZ 0.05976 -0.00130 -0.06862 -0.09322 0.04933 220 4YZ -0.03955 0.02625 0.11747 -0.08072 -0.02179 221 20 H 1S -0.10888 0.10515 0.04838 0.07396 0.09874 222 2S -0.04829 -0.04257 0.04271 -0.07225 0.29048 223 21 H 1S 0.01934 0.11884 0.03506 0.02304 0.08982 224 2S 0.07648 0.05752 -0.05205 -0.05396 0.20511 225 22 H 1S 0.10048 0.02465 -0.14242 -0.25436 0.00755 226 2S -0.02235 0.01110 -0.17322 -0.26864 0.00006 227 23 H 1S -0.11349 0.04784 0.09137 0.08806 -0.19233 228 2S -0.23819 0.00968 0.22798 0.17570 -0.38747 229 24 H 1S -0.25441 -0.02641 0.09810 0.09353 0.07477 230 2S -0.23282 0.09038 0.06906 0.10174 0.02424 231 25 H 1S -0.23449 0.06335 0.01979 0.14433 -0.00382 232 2S -0.22883 0.00768 0.08704 0.16892 0.08606 233 26 H 1S -0.27792 0.02172 0.06085 0.12364 0.04743 234 2S -0.27015 0.03335 -0.02290 0.03811 0.15128 151 152 153 154 155 V V V V V Eigenvalues -- 1.62706 1.63340 1.66681 1.69262 1.69383 1 1 C 1S 0.02635 -0.01535 0.01499 -0.01261 0.01611 2 2S 0.17685 -0.18631 0.07617 -0.13841 0.00617 3 2PX 0.01287 0.02310 0.05131 -0.00563 -0.02628 4 2PY 0.09037 -0.01971 0.06417 0.01478 0.05910 5 2PZ 0.11832 0.06967 0.01182 -0.03480 0.05470 6 3S -2.09841 0.46203 -0.56592 0.58578 -0.65789 7 3PX -0.22415 -0.02073 -0.20436 0.08092 -0.02295 8 3PY 0.65996 0.01282 0.07980 -0.29336 0.26580 9 3PZ 0.22150 -0.16718 0.11168 0.13278 0.05824 10 4XX 0.02787 -0.00469 -0.08865 -0.09856 0.02532 11 4YY -0.04314 -0.04661 0.12487 0.16459 -0.00389 12 4ZZ 0.03793 0.04177 -0.03780 -0.08293 -0.01981 13 4XY 0.08308 0.07323 0.12009 -0.06869 -0.04810 14 4XZ 0.05145 0.03838 0.15738 0.03423 -0.07663 15 4YZ 0.00403 0.00656 0.03833 -0.10712 0.03631 16 2 C 1S -0.00019 0.00151 -0.00083 0.01223 -0.00035 17 2S 0.19672 0.23920 -0.16076 0.08643 -0.04402 18 2PX -0.02448 0.01632 -0.08906 0.02253 0.02385 19 2PY -0.26694 -0.11260 -0.06066 -0.03682 -0.08077 20 2PZ -0.22956 -0.05029 0.07273 0.19174 -0.03966 21 3S 0.40174 0.62084 0.12886 -0.89997 0.24083 22 3PX -0.31230 0.10373 0.35446 -0.13598 -0.22342 23 3PY 2.25623 -0.05078 0.51630 0.37036 0.60369 24 3PZ 1.17494 -0.24456 0.22746 -0.83716 0.51645 25 4XX 0.02452 -0.06746 0.05182 -0.14458 0.02250 26 4YY -0.01879 -0.03661 0.01807 -0.05951 0.05957 27 4ZZ 0.00800 0.08032 -0.04119 0.18939 -0.05493 28 4XY -0.03472 -0.04485 -0.07420 -0.00237 -0.00206 29 4XZ -0.11644 -0.07961 -0.34096 0.03140 0.07489 30 4YZ -0.04133 -0.10374 0.03158 0.01804 0.13587 31 3 C 1S -0.00199 0.01265 -0.00518 -0.01826 0.00317 32 2S -0.04029 0.45064 -0.08272 -0.19488 0.04056 33 2PX -0.05676 -0.01820 -0.06553 0.05208 0.00455 34 2PY -0.01264 -0.00788 -0.01276 0.03816 0.01960 35 2PZ -0.11161 -0.21799 0.02528 -0.00896 0.02506 36 3S 1.29430 -0.43015 0.32650 1.41592 -0.02448 37 3PX 0.07799 0.12597 0.05323 -0.14245 0.03481 38 3PY -0.15217 -0.64235 -0.05358 0.14142 -0.09762 39 3PZ -0.47323 1.12599 0.04148 -0.10929 0.04322 40 4XX 0.06344 -0.07300 0.10825 -0.04592 -0.01268 41 4YY -0.01141 0.05350 -0.18731 -0.01222 -0.06071 42 4ZZ -0.02089 -0.01945 0.11760 0.06070 0.11013 43 4XY 0.03891 -0.15824 -0.12379 0.16022 0.10975 44 4XZ 0.07959 -0.21471 -0.18865 0.24726 0.07466 45 4YZ -0.03000 0.06295 -0.11899 0.06358 -0.04427 46 4 C 1S -0.00030 0.04246 0.01228 0.02746 0.01839 47 2S -0.13007 0.51535 0.09608 0.33955 0.15844 48 2PX 0.02139 -0.04104 -0.10352 0.05746 0.04753 49 2PY -0.12729 -0.02326 -0.01901 0.03007 -0.05048 50 2PZ 0.06734 0.01582 0.04248 -0.03446 0.05814 51 3S -0.73876 -1.43925 -0.51458 -1.22508 -0.94605 52 3PX 0.19396 -0.00254 -0.07758 -0.05190 -0.26021 53 3PY 0.24847 0.39887 0.07530 -0.30225 0.53806 54 3PZ -0.39813 -0.34284 0.14493 0.30651 0.15663 55 4XX 0.12553 0.02020 0.07353 0.26967 0.04017 56 4YY 0.04978 0.16232 0.13121 0.00895 0.02080 57 4ZZ -0.19156 -0.14817 -0.17806 -0.26470 -0.04355 58 4XY -0.02765 0.04624 0.18139 -0.20027 -0.05516 59 4XZ -0.02329 -0.01271 0.03883 -0.00660 0.07712 60 4YZ -0.07849 0.08317 -0.02408 0.05632 -0.04421 61 5 C 1S -0.02025 -0.02033 0.01471 -0.00251 -0.03888 62 2S -0.29033 -0.32779 0.55150 0.06655 -0.43720 63 2PX 0.08913 0.03111 0.04038 0.00831 0.04158 64 2PY -0.04665 0.00561 0.09544 -0.02651 -0.03723 65 2PZ -0.06492 -0.00780 0.10023 -0.02067 0.05551 66 3S 1.40094 0.32704 -0.74601 0.43370 2.16134 67 3PX 1.10500 -0.65057 -0.58929 -0.48045 0.55991 68 3PY 0.39845 -0.31345 -0.25844 0.31208 -0.18820 69 3PZ 0.83596 -0.03507 -0.00180 0.11316 0.33664 70 4XX 0.03509 0.02503 -0.17095 -0.07849 -0.08107 71 4YY -0.10466 -0.00201 0.06911 -0.00285 0.07543 72 4ZZ 0.07742 -0.06089 0.09266 0.10420 -0.01073 73 4XY -0.06084 0.01668 0.17764 -0.07760 -0.06524 74 4XZ 0.03685 0.02154 -0.10055 -0.00428 0.02370 75 4YZ -0.06581 0.04462 -0.16582 -0.00001 -0.13040 76 6 C 1S 0.01651 -0.03607 0.00301 0.01401 -0.02630 77 2S 0.16935 -0.55877 0.20518 -0.09220 -0.25304 78 2PX 0.15255 -0.03802 -0.06773 -0.15399 0.04985 79 2PY 0.13474 -0.05274 -0.01041 -0.00232 0.09679 80 2PZ -0.02280 -0.02333 0.15828 -0.06676 -0.00411 81 3S -1.86098 1.94840 0.25809 -1.10201 1.34532 82 3PX -0.69228 0.51976 0.86227 0.32493 0.07818 83 3PY -1.01919 0.73522 0.28958 0.00436 0.52106 84 3PZ 0.05942 0.07501 -0.38179 -0.40834 0.09982 85 4XX 0.02055 0.02128 0.07328 -0.01258 -0.08136 86 4YY -0.00310 -0.01652 0.04580 -0.07054 0.12037 87 4ZZ -0.02887 -0.03153 -0.13463 0.09535 -0.05399 88 4XY 0.00495 0.05724 -0.17260 0.26668 -0.04386 89 4XZ 0.03301 0.02862 0.20372 0.13808 -0.02152 90 4YZ 0.02305 0.00620 0.03009 -0.11498 -0.09208 91 7 C 1S 0.00475 0.03117 -0.01934 -0.01179 0.02012 92 2S 0.15266 0.35352 -0.25172 -0.10777 0.18349 93 2PX -0.01868 -0.01955 -0.02783 0.12909 0.00753 94 2PY -0.00343 0.08048 0.07047 0.05867 0.06868 95 2PZ 0.16137 -0.07181 0.00302 -0.11480 0.03186 96 3S 0.75171 -1.71987 0.84071 0.36978 -0.73622 97 3PX 0.22116 0.17327 0.04501 0.30192 -0.01911 98 3PY -0.81843 -0.39196 -0.55021 -0.60576 -0.34259 99 3PZ -0.65383 0.15956 0.15724 -0.20728 0.50363 100 4XX 0.12197 0.00570 -0.04378 -0.27241 -0.00566 101 4YY -0.06089 -0.02885 0.04838 0.07657 0.08277 102 4ZZ -0.02522 0.02538 -0.01340 0.17782 -0.04997 103 4XY 0.01784 0.00592 -0.11881 -0.03299 0.04757 104 4XZ 0.07885 -0.05052 0.08352 0.05078 0.05748 105 4YZ -0.13023 -0.13546 0.08380 0.13224 -0.01024 106 8 C 1S 0.03038 -0.03783 -0.01355 -0.00201 -0.00843 107 2S 0.33032 -0.50235 -0.36752 0.12470 -0.08904 108 2PX 0.05622 0.00221 -0.10693 0.08064 0.01638 109 2PY -0.01392 0.02760 0.00329 -0.03371 -0.04911 110 2PZ -0.10771 -0.08876 -0.13479 -0.01380 0.05363 111 3S -1.67718 1.46424 0.31119 -0.26024 0.40414 112 3PX -0.94644 0.18970 -0.00872 -0.62651 0.04416 113 3PY 0.41228 0.19077 -0.09459 0.18089 0.29074 114 3PZ 0.74053 0.17054 0.34295 0.51041 -0.15280 115 4XX -0.14522 -0.12200 0.05406 -0.07063 0.03108 116 4YY 0.14524 0.09373 -0.10344 0.03086 0.03263 117 4ZZ 0.00276 0.00472 0.04766 0.01798 -0.08303 118 4XY -0.12474 -0.18435 -0.02150 0.10670 0.25096 119 4XZ 0.06345 0.04093 0.00248 -0.12429 -0.21673 120 4YZ 0.23646 0.22855 -0.11566 -0.00715 -0.08496 121 9 C 1S -0.04507 -0.00913 0.00356 0.00496 -0.01295 122 2S -0.66409 -0.11274 -0.14854 0.15162 -0.15717 123 2PX -0.09354 0.10759 -0.05194 -0.00367 -0.01443 124 2PY -0.04526 -0.05460 -0.06180 0.11712 0.05984 125 2PZ 0.00004 -0.08858 -0.01388 0.09975 -0.00640 126 3S 1.87177 0.21694 0.04032 0.15875 0.59955 127 3PX 0.42302 -0.37181 0.23978 0.61758 0.27264 128 3PY 0.30391 -0.09814 -0.08223 -0.35433 -0.24852 129 3PZ -0.26688 0.81685 -0.13804 -0.67408 -0.00468 130 4XX -0.15427 -0.25242 0.02184 -0.00683 0.20386 131 4YY -0.07629 -0.07522 0.05823 -0.11303 -0.14229 132 4ZZ 0.18892 0.32040 -0.06132 0.11887 -0.08055 133 4XY 0.13124 0.06289 0.00154 -0.04703 -0.23454 134 4XZ 0.01884 0.02528 -0.01623 0.08292 0.00520 135 4YZ -0.13241 -0.07952 0.02533 -0.04993 -0.01283 136 10 H 1S -0.17283 0.08175 -0.06790 -0.14878 -0.06081 137 2S -0.16404 0.21745 -0.09037 -0.33601 -0.10967 138 11 H 1S -0.12331 -0.17042 0.06069 0.22611 0.00601 139 2S -0.01078 -0.35513 0.05606 0.23501 -0.02486 140 12 H 1S -0.08146 -0.16838 -0.10648 -0.12808 -0.00273 141 2S -0.26701 -0.17262 -0.04681 -0.22709 -0.05274 142 13 H 1S 0.35213 -0.15405 -0.03616 0.14166 0.00008 143 2S 0.38735 0.00911 0.14064 0.20913 -0.09245 144 14 H 1S 0.06469 0.26283 -0.00305 0.03669 0.14208 145 2S 0.11156 0.30996 0.15411 0.17011 0.24108 146 15 C 1S -0.02219 0.01411 -0.00022 0.00434 -0.00247 147 2S -0.30314 0.07504 0.26161 -0.28649 0.15909 148 2PX 0.00201 0.04456 -0.02606 0.09356 -0.05595 149 2PY 0.12228 0.05406 0.00020 0.05989 0.06918 150 2PZ 0.01429 -0.00089 0.06288 0.01350 -0.05554 151 3S -0.01555 0.10135 -0.83268 0.21331 -0.43188 152 3PX -1.84237 1.15657 0.31821 -0.57722 0.65054 153 3PY 0.05649 0.38755 0.41990 -0.72042 0.81644 154 3PZ -1.06760 0.66356 0.18982 0.06787 0.31046 155 4XX -0.12115 0.06951 0.05002 0.18931 -0.15285 156 4YY 0.04053 0.07899 0.03240 -0.07276 0.17550 157 4ZZ 0.06588 -0.14719 -0.11388 -0.06023 -0.03303 158 4XY 0.11985 -0.00393 0.03909 0.18240 -0.00754 159 4XZ -0.06656 -0.02680 -0.07004 -0.01438 -0.17291 160 4YZ 0.02477 -0.02435 -0.09540 0.01234 -0.02278 161 16 O 1S -0.04705 0.02772 -0.01548 -0.00291 -0.00134 162 2S -0.71213 0.61882 -0.33019 0.00222 0.19504 163 2PX 0.16264 -0.10449 0.04362 -0.07016 0.07711 164 2PY -0.21123 0.12837 0.16767 0.11214 0.02386 165 2PZ 0.13354 -0.03988 -0.05633 -0.05717 0.11113 166 3S 2.37932 -1.76500 0.95712 0.02495 -0.31125 167 3PX -0.84151 0.40511 -0.19930 0.15552 -0.35621 168 3PY 1.03965 -0.52595 -0.48030 -0.05211 -0.07216 169 3PZ -0.64737 0.23381 0.11994 0.07506 -0.34031 170 4XX -0.17742 0.21678 -0.04781 -0.09878 0.31690 171 4YY -0.18695 0.13400 -0.16508 0.06682 -0.10753 172 4ZZ -0.11658 0.03998 0.00615 0.01726 -0.08904 173 4XY 0.13878 0.04637 0.05061 0.04516 0.24336 174 4XZ -0.04276 0.19500 0.01134 -0.01617 0.25081 175 4YZ 0.17856 -0.08749 0.03446 -0.03040 0.12664 176 17 C 1S 0.01524 -0.00628 -0.01985 -0.00156 0.00199 177 2S 0.36176 -0.26873 0.09618 0.01382 0.22084 178 2PX 0.01564 0.06718 -0.10124 -0.01811 -0.01271 179 2PY -0.05266 -0.03675 -0.00367 -0.02104 -0.09413 180 2PZ 0.05874 0.03155 -0.01075 -0.00832 0.02430 181 3S -1.70204 1.19935 -0.06199 0.07984 -0.70472 182 3PX 1.39975 -0.28171 -0.23545 0.08825 1.09435 183 3PY 0.15460 -0.09202 -0.34585 -0.22413 0.09300 184 3PZ 0.68543 -0.06158 -0.20892 -0.03499 0.86190 185 4XX 0.00428 -0.01633 -0.19678 -0.14465 -0.01751 186 4YY 0.02180 -0.03823 0.08246 0.07836 -0.03021 187 4ZZ -0.05708 0.06069 0.07095 0.03476 0.03435 188 4XY 0.04354 -0.07006 -0.05546 0.10015 -0.18449 189 4XZ 0.02617 0.03163 -0.02471 0.05666 -0.04738 190 4YZ -0.10531 -0.03674 0.01483 0.00906 -0.15257 191 18 O 1S 0.00554 0.01316 -0.00114 0.00188 0.01871 192 2S -0.10873 0.24778 -0.05957 0.02771 0.13012 193 2PX 0.07188 -0.00913 0.06503 0.06028 0.06416 194 2PY -0.09995 0.00539 0.00723 0.02326 -0.08726 195 2PZ 0.09893 -0.02496 0.01372 -0.01622 0.09504 196 3S -0.05578 -0.75732 0.13242 -0.15041 -0.81789 197 3PX -0.25013 0.16420 -0.02768 -0.05653 -0.08224 198 3PY -0.02157 -0.17511 0.08380 -0.03076 -0.23883 199 3PZ -0.11585 0.18892 0.01644 0.05384 0.02886 200 4XX 0.00021 0.02158 -0.05976 -0.01544 -0.04107 201 4YY 0.02222 0.09073 -0.08217 0.07371 0.07245 202 4ZZ -0.06937 0.04079 0.10671 -0.03978 0.05764 203 4XY 0.09289 -0.06347 -0.08800 0.00704 -0.08637 204 4XZ 0.00202 -0.03278 0.12421 0.16266 -0.17894 205 4YZ -0.08069 -0.00106 0.14378 0.10566 -0.10180 206 19 O 1S -0.00454 0.01652 0.00226 -0.01506 0.01881 207 2S -0.14255 0.19867 -0.07125 -0.19145 0.13836 208 2PX -0.07053 0.02854 -0.01953 -0.12092 0.02290 209 2PY 0.05107 0.04605 0.09598 -0.01922 0.12904 210 2PZ -0.02603 -0.00357 0.02093 -0.00618 -0.01512 211 3S 0.29528 -0.78804 0.01578 0.80062 -0.82375 212 3PX 0.41300 -0.23490 -0.02948 0.20857 -0.12218 213 3PY -0.12628 0.22486 -0.09515 -0.19864 0.16590 214 3PZ 0.24276 -0.15758 -0.04121 0.02449 -0.08699 215 4XX -0.08766 0.08479 -0.00566 0.04593 -0.05853 216 4YY -0.03010 0.07160 0.01471 -0.07368 0.08280 217 4ZZ 0.03474 -0.02173 -0.04770 -0.10332 0.07052 218 4XY 0.04343 -0.10953 -0.06841 -0.16364 -0.09579 219 4XZ 0.00012 -0.02556 -0.03865 -0.01724 -0.17714 220 4YZ 0.08629 -0.08298 0.08548 -0.04812 -0.04726 221 20 H 1S 0.15326 -0.14156 0.02981 -0.07133 -0.07648 222 2S 0.16956 -0.16898 -0.19545 -0.06292 -0.02135 223 21 H 1S 0.03018 -0.07705 0.12744 -0.00651 -0.16241 224 2S 0.15778 -0.10757 0.05399 0.11530 -0.13080 225 22 H 1S 0.09543 0.27127 0.03427 0.06557 0.16302 226 2S 0.20348 0.28729 0.04357 -0.02252 0.23732 227 23 H 1S -0.00058 -0.17602 -0.17216 -0.12996 -0.12833 228 2S 0.01415 -0.45561 -0.03440 -0.08862 0.00680 229 24 H 1S 0.03360 -0.06017 0.00850 -0.03482 0.07354 230 2S 0.06340 -0.12495 0.08889 0.01640 -0.07192 231 25 H 1S 0.08020 -0.03979 0.09446 -0.02902 0.03849 232 2S 0.00207 -0.09313 -0.03657 0.01219 -0.02622 233 26 H 1S 0.09022 -0.07429 0.07327 -0.03812 0.07854 234 2S 0.18599 0.07353 -0.00566 -0.13255 0.03645 156 157 158 159 160 V V V V V Eigenvalues -- 1.71471 1.71924 1.74025 1.74800 1.75839 1 1 C 1S -0.01200 -0.00422 -0.02728 0.01561 0.00839 2 2S 0.15094 0.18474 -0.21366 0.19956 0.01322 3 2PX 0.03815 -0.01488 -0.00274 0.00741 0.02569 4 2PY -0.10855 -0.08609 -0.06666 0.00280 0.03097 5 2PZ -0.07888 -0.07457 -0.02355 0.00206 0.04269 6 3S 0.34995 0.08779 1.03908 -0.59343 -0.66200 7 3PX -0.06885 0.15098 0.08242 -0.17485 -0.13336 8 3PY -0.14206 -0.07348 -0.20063 0.14297 0.26512 9 3PZ 0.00678 0.10163 -0.22662 -0.04057 0.05936 10 4XX 0.04972 0.06170 0.04841 0.06131 0.01722 11 4YY -0.06821 -0.04890 -0.08783 -0.08683 -0.05494 12 4ZZ 0.02267 -0.01432 0.05375 0.03037 0.04565 13 4XY 0.04897 -0.05544 -0.00706 0.07391 0.11488 14 4XZ 0.05890 -0.11983 -0.03915 0.10953 0.05245 15 4YZ -0.05147 -0.09007 -0.05743 0.10185 0.09807 16 2 C 1S -0.00848 -0.01459 0.01968 -0.02131 0.00910 17 2S -0.06610 -0.16988 0.43640 -0.37702 0.08086 18 2PX -0.03596 0.00722 -0.02726 -0.01549 -0.00917 19 2PY -0.00136 -0.04230 0.13875 -0.00560 -0.01036 20 2PZ 0.06341 0.14534 -0.15035 0.03704 -0.08237 21 3S 0.88894 1.07177 -1.70335 1.56192 -1.02904 22 3PX 0.35072 -0.03156 0.05955 0.37354 -0.10960 23 3PY -0.79955 -0.64431 -0.35950 -0.55098 1.12820 24 3PZ -0.71800 -0.78473 0.18240 0.31896 0.73696 25 4XX 0.03024 -0.03558 0.05556 0.08647 -0.03519 26 4YY -0.12790 -0.08713 -0.00242 0.02814 0.00631 27 4ZZ 0.12013 0.13973 -0.08413 -0.08015 -0.00458 28 4XY 0.03327 0.05574 0.06785 -0.00423 -0.02005 29 4XZ -0.00500 0.03870 0.00676 0.00653 -0.11114 30 4YZ -0.17226 -0.10941 -0.17207 0.03458 -0.01841 31 3 C 1S 0.01333 0.00581 -0.00997 0.01658 -0.01640 32 2S 0.03309 -0.09966 0.03995 0.09935 -0.30685 33 2PX -0.02626 0.00401 0.05236 0.01860 -0.02795 34 2PY -0.03255 -0.01518 -0.09884 0.00990 0.01284 35 2PZ -0.06349 -0.00259 -0.13025 0.09842 0.00292 36 3S -0.64042 -0.42023 0.68042 -1.51710 1.50198 37 3PX 0.07446 0.10483 -0.09086 -0.07324 -0.02697 38 3PY -0.16113 -0.23356 0.30684 -0.44160 0.32774 39 3PZ 0.53811 0.65415 -0.77076 0.47724 -1.15466 40 4XX -0.01825 -0.06733 0.14634 -0.07810 0.07160 41 4YY 0.07022 0.01641 0.12052 -0.04848 0.04342 42 4ZZ -0.06450 0.03754 -0.28386 0.12128 -0.10532 43 4XY -0.10152 0.00085 0.03245 -0.08648 -0.03256 44 4XZ -0.10664 -0.02822 0.16765 0.01508 0.04274 45 4YZ 0.16956 0.14576 -0.05490 0.07204 -0.02202 46 4 C 1S 0.00296 0.01387 0.02306 -0.01821 -0.00762 47 2S 0.05385 0.20390 0.20032 -0.22149 -0.03726 48 2PX 0.11057 -0.11629 -0.11170 0.13631 0.09369 49 2PY 0.01994 -0.08563 0.09405 -0.05146 0.03824 50 2PZ -0.11663 -0.07855 0.00281 0.04017 -0.07103 51 3S -0.03481 -0.66845 -1.13606 0.97474 -0.26925 52 3PX -0.12011 -0.00485 0.14481 0.42647 -0.01829 53 3PY -0.24226 0.30264 -1.01892 0.70716 -0.59535 54 3PZ 0.20075 0.35564 0.25956 -0.25950 0.05038 55 4XX -0.03409 -0.02385 0.08303 -0.20570 -0.00207 56 4YY 0.09306 0.20864 -0.21857 0.12325 -0.13758 57 4ZZ -0.06347 -0.19727 0.14929 0.07507 0.11806 58 4XY -0.10004 -0.02534 0.05491 0.04779 -0.11546 59 4XZ 0.15885 -0.16809 -0.05345 0.00317 0.11254 60 4YZ 0.18351 0.11074 -0.14696 0.05379 -0.03632 61 5 C 1S -0.01166 -0.04849 -0.00386 0.02903 0.02073 62 2S -0.07651 -0.54527 0.08828 0.52846 0.12364 63 2PX -0.07411 0.12838 0.20117 0.09160 0.03564 64 2PY -0.19409 -0.01228 -0.02952 -0.01783 -0.18987 65 2PZ 0.08742 0.08146 0.00017 0.12369 0.09381 66 3S 0.52107 2.46519 0.68060 -1.58572 -0.87877 67 3PX 0.23238 0.18210 -0.15861 0.39563 -0.25580 68 3PY 0.45900 0.05366 0.40431 -0.07156 0.06684 69 3PZ 0.15663 -0.08540 0.74100 -0.48072 0.26337 70 4XX -0.20356 -0.13209 0.07561 0.05963 -0.02545 71 4YY 0.13457 0.11336 -0.11248 0.16680 0.24374 72 4ZZ 0.07124 0.00232 0.04610 -0.21400 -0.20423 73 4XY -0.19094 -0.04270 -0.11386 -0.09686 -0.19871 74 4XZ 0.14769 -0.13159 -0.23976 0.03333 -0.00620 75 4YZ -0.03134 -0.07010 -0.03786 0.05124 -0.00498 76 6 C 1S -0.00015 0.00161 -0.04492 0.00037 -0.01471 77 2S 0.03841 0.00304 -0.73279 -0.22163 -0.10372 78 2PX -0.15147 0.11918 0.01355 -0.11027 0.02335 79 2PY 0.16542 0.15973 -0.03680 -0.02638 0.25432 80 2PZ -0.06438 -0.02583 -0.06507 0.01587 0.06246 81 3S 0.41239 -0.05992 1.79658 0.27669 0.66331 82 3PX 0.16137 -0.46778 -0.14833 -0.23750 0.58032 83 3PY -0.08544 0.25145 0.22991 -0.27610 -0.67904 84 3PZ 0.49867 0.01281 0.02839 -0.14536 -0.34223 85 4XX -0.25061 0.02744 -0.04661 -0.02547 -0.14691 86 4YY 0.19666 -0.10536 0.04506 0.07334 0.14299 87 4ZZ 0.06822 0.08027 -0.01558 -0.04317 -0.00276 88 4XY -0.00249 -0.11854 0.03954 0.01033 0.02089 89 4XZ 0.02637 -0.10478 -0.19475 0.11824 0.02160 90 4YZ -0.06314 -0.21421 0.09444 -0.05725 -0.27412 91 7 C 1S 0.01159 0.01845 0.00351 -0.01975 -0.01316 92 2S 0.14697 0.20867 0.15086 -0.10832 0.03140 93 2PX 0.12302 -0.13844 -0.06847 0.06228 0.15450 94 2PY -0.12815 -0.13741 -0.05007 -0.05228 0.05538 95 2PZ -0.12162 -0.15722 0.09597 -0.00099 0.08245 96 3S -0.86169 -1.21697 -0.22129 0.68518 0.83017 97 3PX -0.52057 0.08916 -0.30800 -0.54529 0.19849 98 3PY 0.71619 0.49859 0.43141 0.11955 -0.30914 99 3PZ -0.37358 -0.06911 0.08324 0.00625 0.08434 100 4XX -0.08559 -0.05855 0.05466 -0.00369 -0.08095 101 4YY 0.00135 -0.06164 -0.01299 0.04316 -0.00113 102 4ZZ 0.07987 0.11364 -0.05278 -0.05774 0.06114 103 4XY 0.22293 -0.20752 -0.04774 0.18287 0.07462 104 4XZ -0.00193 -0.01676 0.04704 -0.09236 0.02934 105 4YZ -0.00981 0.07447 0.02090 -0.04676 -0.09312 106 8 C 1S 0.00846 0.01075 0.00023 0.06251 -0.02176 107 2S -0.03794 0.18988 0.01801 0.68606 -0.16013 108 2PX -0.10351 0.10250 0.01834 0.00752 0.01393 109 2PY -0.01618 0.15765 0.00735 0.01331 -0.10381 110 2PZ -0.02257 0.04123 -0.05307 0.02891 -0.02012 111 3S -0.19677 -0.10203 -0.11955 -2.36469 0.56341 112 3PX 0.40439 -0.12195 -0.09551 -0.04334 -0.17470 113 3PY -0.03265 0.06080 0.04056 0.13897 0.02630 114 3PZ -0.17232 -0.06107 0.27186 -0.60710 0.37700 115 4XX 0.16285 0.00215 0.08514 -0.01531 -0.06862 116 4YY -0.19784 -0.00872 -0.09365 0.06019 0.05847 117 4ZZ 0.05397 0.03207 0.01195 -0.01763 -0.00012 118 4XY 0.02200 -0.11685 -0.09271 0.03167 0.03146 119 4XZ 0.20603 -0.03748 0.16603 0.05649 -0.01508 120 4YZ -0.02114 -0.20919 -0.00696 0.11956 0.20541 121 9 C 1S -0.01928 -0.01401 -0.00605 -0.04896 0.02321 122 2S -0.32970 -0.11928 -0.10915 -0.46271 0.26876 123 2PX -0.09893 0.11464 -0.03685 -0.00305 -0.04168 124 2PY -0.03528 -0.04193 -0.01624 0.05582 0.04937 125 2PZ -0.06070 0.08247 0.05146 -0.04939 -0.00072 126 3S 0.66910 0.70756 0.50291 1.74168 -0.76672 127 3PX 0.11890 0.03983 0.29179 -0.26116 0.15276 128 3PY 0.29066 0.03740 0.21223 0.39650 -0.20205 129 3PZ 0.07096 -0.12646 -0.17934 0.23822 -0.08706 130 4XX 0.05500 -0.15397 0.08123 -0.00022 0.08455 131 4YY 0.05313 0.17968 0.10180 -0.08101 -0.12557 132 4ZZ -0.10984 -0.01217 -0.17911 0.04735 0.05755 133 4XY 0.14137 -0.01335 0.20546 -0.22944 0.09060 134 4XZ 0.03858 -0.11306 0.00477 -0.03323 0.08849 135 4YZ 0.13681 -0.06335 0.05530 -0.05190 0.03797 136 10 H 1S -0.07950 -0.11095 -0.02547 -0.06799 0.07447 137 2S 0.02193 -0.08083 -0.10155 0.00508 -0.01922 138 11 H 1S -0.06243 -0.03211 -0.03334 -0.21950 0.07968 139 2S -0.01896 -0.05382 0.11883 -0.21691 0.11680 140 12 H 1S 0.08297 -0.02683 -0.05955 0.31223 -0.11890 141 2S 0.17655 -0.03099 -0.06007 0.24116 -0.14252 142 13 H 1S -0.07119 0.03533 0.05375 0.13037 -0.00207 143 2S -0.04371 -0.04394 0.11780 0.02417 0.10686 144 14 H 1S -0.05142 0.02805 -0.03093 -0.10862 -0.01098 145 2S -0.27681 -0.06608 -0.17853 -0.11443 0.08420 146 15 C 1S -0.00011 0.00013 -0.00002 -0.01134 0.00074 147 2S 0.14737 0.17799 -0.09234 -0.13253 0.16518 148 2PX -0.06247 -0.09655 0.00143 -0.03386 -0.00307 149 2PY -0.02334 -0.12294 0.00226 -0.00989 -0.05562 150 2PZ -0.01830 -0.01119 -0.03308 0.05154 0.02934 151 3S -0.72425 -0.26713 -0.43448 -0.59219 0.28216 152 3PX 0.16763 0.28207 0.42521 -0.34451 0.32555 153 3PY 0.33522 -0.05244 -0.55818 -1.54756 0.92805 154 3PZ -0.11997 0.02256 0.36606 -0.07599 0.25020 155 4XX -0.12371 -0.07190 0.08309 0.14920 0.10223 156 4YY 0.01080 -0.02962 -0.05565 -0.13827 -0.01618 157 4ZZ 0.10631 0.11297 0.02413 0.01191 -0.14089 158 4XY -0.03069 -0.14236 0.04098 0.10689 -0.18798 159 4XZ 0.07594 -0.10597 -0.08592 0.05369 0.00232 160 4YZ 0.05888 -0.03270 0.05345 0.07715 -0.20016 161 16 O 1S -0.00264 0.02193 0.00365 0.00096 0.02024 162 2S -0.13249 0.01090 0.06596 -0.08164 -0.09973 163 2PX 0.05329 0.10886 0.02333 -0.03461 0.10359 164 2PY 0.02991 -0.01938 0.16417 0.14394 -0.03198 165 2PZ 0.06207 0.01681 -0.03241 -0.09163 0.01559 166 3S 0.46297 -0.42378 -0.14759 0.11261 -0.17630 167 3PX -0.22012 -0.23041 -0.13333 0.10225 0.01061 168 3PY 0.01526 0.30059 -0.37420 -0.05365 -0.12433 169 3PZ -0.18782 -0.15463 0.05351 0.11461 0.11826 170 4XX -0.03612 0.00197 0.11124 -0.05809 -0.01825 171 4YY -0.05574 0.06835 -0.02265 0.04638 0.00987 172 4ZZ 0.03332 -0.00668 -0.02632 -0.02965 0.01042 173 4XY 0.06724 -0.01108 0.09957 0.00762 -0.06851 174 4XZ 0.09603 -0.09423 0.00875 -0.06226 -0.00142 175 4YZ 0.08822 -0.01866 0.06227 -0.01091 -0.06463 176 17 C 1S 0.00101 0.00699 0.00995 0.00612 -0.00864 177 2S 0.09348 0.31941 0.32253 0.09718 0.03082 178 2PX -0.01787 -0.09579 -0.05309 0.02429 -0.11202 179 2PY -0.01697 0.05751 -0.03222 0.01721 0.03151 180 2PZ -0.02495 -0.07309 -0.02762 -0.01188 -0.02798 181 3S -0.30454 -0.27638 -0.43408 0.67790 -0.63406 182 3PX 0.45455 1.16501 1.02912 0.18656 -0.32718 183 3PY -0.21578 0.13136 -0.74662 -0.59415 0.62340 184 3PZ 0.37493 0.69590 0.75224 0.72134 -0.77316 185 4XX -0.10849 -0.07370 -0.24823 -0.02061 -0.03153 186 4YY 0.05713 0.11216 0.08302 0.12055 0.03992 187 4ZZ 0.04153 -0.07390 0.13492 -0.13387 0.00148 188 4XY 0.03321 0.06107 -0.08595 -0.04347 0.08385 189 4XZ 0.04407 -0.14983 -0.06862 -0.10323 -0.08840 190 4YZ 0.03234 -0.09637 -0.08265 -0.12970 0.08710 191 18 O 1S 0.00741 0.01414 0.02693 0.02260 -0.02808 192 2S 0.10559 0.33367 0.33866 0.42142 -0.44166 193 2PX 0.02628 0.05782 0.12286 0.02539 0.03672 194 2PY 0.00686 0.11508 -0.00295 0.08122 0.05128 195 2PZ -0.00911 -0.01845 0.00755 0.05036 -0.03246 196 3S -0.46354 -1.02197 -1.45281 -1.50885 1.69086 197 3PX -0.03243 -0.11608 -0.04178 0.19552 -0.28727 198 3PY -0.11062 -0.38687 -0.28682 -0.35434 0.28430 199 3PZ 0.05967 0.12197 0.26337 0.17498 -0.25292 200 4XX -0.15838 0.24632 0.11772 0.36554 0.00010 201 4YY 0.18939 -0.08238 -0.00249 -0.25520 -0.20547 202 4ZZ 0.03992 0.03247 0.10885 0.13162 -0.05428 203 4XY -0.05721 -0.01274 -0.16138 -0.07613 -0.03020 204 4XZ 0.07817 0.06599 0.05451 -0.02499 -0.07134 205 4YZ 0.12719 -0.09680 0.03495 -0.16011 0.04791 206 19 O 1S -0.00094 -0.00260 -0.01230 -0.03882 0.01647 207 2S -0.07409 0.05948 -0.20167 -0.64927 0.30348 208 2PX 0.04085 0.07534 -0.04164 -0.05900 0.10283 209 2PY 0.02441 -0.06973 -0.02244 -0.00370 -0.02855 210 2PZ -0.02380 0.03263 -0.02952 -0.03432 0.09815 211 3S 0.10655 0.04028 0.82244 2.37460 -1.14803 212 3PX -0.08734 -0.12573 -0.06174 0.04214 -0.15712 213 3PY -0.08186 0.02436 -0.21221 -0.65815 0.29569 214 3PZ 0.03625 -0.02614 -0.00653 0.13618 -0.19585 215 4XX -0.26948 0.04971 0.07331 -0.06786 0.34412 216 4YY -0.03011 0.01749 -0.06276 -0.22663 0.11077 217 4ZZ 0.26418 -0.04059 -0.12231 -0.09391 -0.27205 218 4XY 0.01347 0.15951 -0.17594 -0.16026 0.12502 219 4XZ 0.11104 -0.16983 -0.06375 0.02554 -0.18095 220 4YZ -0.05653 0.09028 -0.09782 -0.03506 0.13199 221 20 H 1S 0.05528 -0.04460 -0.20840 -0.02761 -0.13918 222 2S 0.15468 0.04683 -0.12074 -0.15950 -0.21010 223 21 H 1S -0.00137 -0.27526 0.12985 0.03638 0.10853 224 2S 0.12270 -0.21773 0.28159 0.00890 0.14593 225 22 H 1S -0.03610 0.08618 -0.05506 0.00735 -0.09628 226 2S -0.11335 0.11085 -0.31016 0.16057 -0.16697 227 23 H 1S 0.07597 -0.07573 0.32796 -0.06648 0.19948 228 2S -0.22524 -0.28577 0.18352 -0.04286 0.27690 229 24 H 1S -0.04399 -0.01263 -0.09989 0.04757 0.02266 230 2S 0.09621 0.00836 -0.05130 0.13943 -0.04447 231 25 H 1S -0.04553 -0.01675 -0.09931 0.02268 0.05320 232 2S -0.00970 0.12070 -0.05394 -0.02050 -0.06319 233 26 H 1S -0.06479 -0.02588 -0.13106 0.06796 0.02781 234 2S 0.02078 0.00294 -0.02265 0.09633 0.05846 161 162 163 164 165 V V V V V Eigenvalues -- 1.77680 1.77952 1.78895 1.80143 1.82551 1 1 C 1S -0.00768 -0.00881 0.03650 -0.02102 -0.00806 2 2S 0.04234 -0.05347 0.21754 -0.10010 -0.10968 3 2PX 0.02308 -0.00637 -0.02583 0.01657 0.01147 4 2PY -0.05075 -0.03966 0.11940 -0.04809 -0.00264 5 2PZ -0.05670 -0.00167 0.08708 -0.05366 -0.02909 6 3S 0.48311 0.65666 -2.13516 0.98602 0.81798 7 3PX -0.02759 0.05547 -0.12216 0.04501 0.04397 8 3PY -0.17506 -0.12924 0.59861 -0.44049 -0.27021 9 3PZ -0.06099 -0.28402 0.31983 0.05770 -0.15060 10 4XX 0.06012 -0.00166 0.05531 -0.08471 -0.04867 11 4YY -0.06743 -0.03004 -0.07013 0.13012 0.09469 12 4ZZ 0.00695 0.03318 0.01948 -0.05012 -0.05655 13 4XY 0.09021 -0.01212 0.00971 -0.06882 -0.01524 14 4XZ 0.06518 -0.00907 -0.04011 0.02636 0.00856 15 4YZ 0.04388 -0.02414 0.12249 -0.19136 0.03923 16 2 C 1S -0.00608 -0.01486 0.00626 0.00504 0.00226 17 2S -0.15731 0.02896 -0.08421 0.12732 0.05301 18 2PX -0.03124 -0.02955 0.04868 -0.04624 0.00842 19 2PY 0.05077 0.05212 -0.17073 0.01263 0.04053 20 2PZ 0.11797 -0.07714 -0.09093 0.13908 0.01026 21 3S 0.17292 1.12356 -0.32496 -0.25064 0.10850 22 3PX 0.29777 0.30648 -0.53984 0.17097 0.18933 23 3PY -0.73808 -1.45196 2.18020 -0.38932 -0.86461 24 3PZ -0.44708 0.00786 1.23917 -1.28568 -0.44040 25 4XX 0.08114 0.08755 -0.08362 0.00239 0.05529 26 4YY -0.08289 0.09818 0.00204 -0.06269 0.03445 27 4ZZ 0.03662 -0.18702 0.09411 0.06966 -0.08916 28 4XY 0.01423 -0.02403 -0.03447 0.00615 -0.00895 29 4XZ -0.02411 0.04345 0.02283 -0.00350 0.00734 30 4YZ -0.02580 -0.06689 0.14757 -0.10590 0.08595 31 3 C 1S 0.00455 0.01947 -0.00617 -0.00871 0.00080 32 2S -0.18733 0.39989 -0.23852 0.01183 0.15941 33 2PX -0.00632 0.04499 0.01355 0.01301 0.03648 34 2PY 0.02891 -0.09345 0.10118 -0.05887 -0.02879 35 2PZ 0.08899 -0.00461 0.07036 -0.03526 0.01453 36 3S -0.36666 -2.08898 1.42728 0.15941 -0.41543 37 3PX -0.01654 0.09382 -0.13678 -0.04933 -0.03539 38 3PY 0.02774 -0.52726 0.23813 0.31715 -0.01611 39 3PZ -0.03217 1.17257 -1.26049 0.48649 0.14869 40 4XX 0.02554 -0.06551 -0.06318 0.09787 0.04804 41 4YY -0.01154 -0.03644 0.01977 -0.07209 -0.11197 42 4ZZ 0.00614 0.04903 0.08426 -0.04583 0.05839 43 4XY -0.04644 -0.05926 0.04268 0.00862 0.03587 44 4XZ -0.02492 -0.05695 0.14002 -0.06851 -0.04477 45 4YZ 0.13449 -0.09728 0.10401 -0.07663 -0.09642 46 4 C 1S -0.01994 -0.00876 -0.00774 0.00864 -0.01781 47 2S -0.01540 -0.15239 -0.22031 0.13820 0.15854 48 2PX 0.05199 0.13388 0.02696 0.05649 0.04747 49 2PY 0.01818 0.05137 -0.10736 0.02739 0.19006 50 2PZ -0.14235 0.15722 -0.11695 0.04806 0.02195 51 3S 0.53470 0.95607 -0.06935 -0.04840 0.65083 52 3PX -0.21776 -0.30816 0.08502 -0.16252 0.00446 53 3PY -0.13401 0.44355 0.01298 0.25806 -0.76453 54 3PZ 0.18241 -0.45966 -0.00996 0.17076 -0.03420 55 4XX -0.12855 0.07745 -0.03850 0.12874 0.07148 56 4YY 0.07610 -0.03025 -0.01775 0.04230 0.03303 57 4ZZ 0.02476 -0.03169 0.06595 -0.16157 -0.13093 58 4XY -0.01084 -0.07854 -0.03620 0.07128 0.00944 59 4XZ 0.07346 0.19334 -0.02072 0.03785 0.04485 60 4YZ 0.12437 0.03287 0.02810 -0.04156 0.00492 61 5 C 1S 0.01541 -0.02482 0.02493 0.00585 0.01639 62 2S 0.21003 -0.17161 0.24142 -0.08573 0.22492 63 2PX -0.17600 -0.04593 0.01612 -0.09274 -0.02024 64 2PY 0.07263 0.00914 -0.07113 0.07680 -0.04502 65 2PZ -0.01278 -0.00189 -0.04680 0.01213 0.09460 66 3S -0.42758 1.02904 -0.57795 0.62130 -0.70971 67 3PX 0.06319 0.35976 0.54681 0.54633 -0.34651 68 3PY -0.05792 0.51825 0.24736 -0.32936 0.62518 69 3PZ -0.08341 -0.31246 0.45200 -0.23678 -0.59046 70 4XX 0.04491 -0.15196 -0.02338 0.05084 0.02344 71 4YY -0.05792 -0.01171 0.09575 -0.02644 0.02833 72 4ZZ 0.02249 0.15197 -0.03506 0.02335 -0.07887 73 4XY -0.08896 0.07533 0.08227 -0.03701 -0.04570 74 4XZ 0.21816 0.15209 0.02272 0.00079 0.09009 75 4YZ -0.00717 0.00093 0.10771 -0.03942 -0.07302 76 6 C 1S 0.01925 0.02008 -0.03393 -0.00956 0.03584 77 2S 0.19665 0.12845 -0.40459 0.11481 0.46078 78 2PX -0.02433 0.07975 0.08679 0.02700 -0.04350 79 2PY -0.05064 0.01805 0.04208 0.05311 0.09522 80 2PZ 0.11328 -0.06410 -0.01637 -0.01443 -0.03008 81 3S -0.49714 -1.18323 0.76569 -0.33218 -1.64966 82 3PX -0.18058 -0.61127 -0.27316 -0.46970 -0.12379 83 3PY -0.01846 0.47606 -0.55716 -0.02861 -0.50439 84 3PZ -0.55425 -0.01457 -0.02498 0.30743 0.45342 85 4XX 0.09329 0.16353 -0.03142 -0.01326 0.02126 86 4YY 0.02055 -0.16214 -0.00745 -0.02595 0.01418 87 4ZZ -0.10280 0.00258 -0.00175 -0.00915 -0.05884 88 4XY 0.10765 -0.10131 -0.10982 0.01060 0.07779 89 4XZ -0.08795 -0.15849 0.07566 -0.03943 -0.00122 90 4YZ -0.07314 -0.09161 0.06362 -0.01008 -0.13485 91 7 C 1S -0.00754 0.01123 -0.00046 0.01314 -0.02130 92 2S 0.10349 -0.07457 0.05880 0.04032 0.00263 93 2PX -0.02869 -0.07618 -0.10739 -0.02206 0.08524 94 2PY -0.10288 0.05092 -0.02372 -0.00109 -0.07396 95 2PZ -0.08184 0.09165 0.03187 -0.03683 0.08199 96 3S -0.13212 -0.39763 0.62143 -0.98122 0.41728 97 3PX -0.03949 0.15796 0.16415 -0.00404 -0.20048 98 3PY 0.49260 0.45313 -0.51434 0.16226 0.70871 99 3PZ 0.06936 -0.01898 0.25430 -0.54811 -0.68557 100 4XX 0.00079 0.12004 0.05076 -0.14185 -0.01212 101 4YY -0.08045 0.09791 -0.14179 0.07993 0.03726 102 4ZZ 0.05270 -0.20400 0.10093 0.05579 -0.04999 103 4XY -0.15309 -0.08281 -0.03943 -0.02370 0.01782 104 4XZ -0.00342 -0.10475 0.00113 -0.05455 -0.01643 105 4YZ -0.04075 0.13717 -0.22103 0.18457 0.00805 106 8 C 1S 0.00115 -0.00993 0.01831 0.00681 0.00660 107 2S 0.07216 0.06129 0.30914 0.14984 -0.01521 108 2PX 0.04801 0.01870 0.10088 0.04362 -0.02714 109 2PY 0.12572 -0.06820 0.08469 -0.00715 0.05248 110 2PZ 0.01282 0.05161 0.00488 -0.03598 -0.02000 111 3S -0.00129 0.31435 -0.95424 -0.32085 -0.11662 112 3PX 0.15286 0.18142 -0.52465 -0.34117 0.15317 113 3PY -0.23685 0.17592 0.15205 0.25815 -0.37956 114 3PZ -0.17538 -0.16243 0.10596 0.38385 0.15629 115 4XX -0.09797 0.05897 -0.12447 0.06833 0.06039 116 4YY 0.03150 -0.03561 0.12857 -0.14327 -0.05355 117 4ZZ 0.06325 -0.02533 -0.00996 0.08196 -0.01258 118 4XY -0.14297 0.09099 -0.10511 0.05628 -0.04588 119 4XZ 0.05609 -0.03926 -0.05850 0.05146 0.18430 120 4YZ -0.14412 0.16408 -0.05260 -0.00286 -0.13996 121 9 C 1S 0.01482 0.00106 -0.00885 -0.01585 0.01961 122 2S 0.00852 -0.11000 -0.24878 -0.16978 0.14193 123 2PX 0.00354 -0.10963 -0.03631 -0.07660 0.01181 124 2PY -0.07996 0.02815 -0.03316 0.04835 -0.04677 125 2PZ 0.03955 -0.15419 0.07020 -0.01222 0.00732 126 3S -0.38302 -0.21748 0.71598 0.55969 -0.74047 127 3PX -0.04615 -0.21081 0.23150 0.41203 -0.12466 128 3PY 0.15480 0.02182 0.16159 -0.04767 0.22791 129 3PZ -0.21063 0.36655 -0.39951 -0.40612 -0.08545 130 4XX -0.05329 0.11049 0.05301 -0.01704 -0.06876 131 4YY 0.22327 -0.20705 0.08751 -0.11569 0.15186 132 4ZZ -0.16648 0.09946 -0.14427 0.13092 -0.08791 133 4XY -0.00936 0.00537 -0.11691 0.03577 0.12959 134 4XZ -0.01231 0.09503 -0.08290 0.03909 0.09052 135 4YZ 0.00894 0.06425 -0.09951 -0.02123 -0.00813 136 10 H 1S 0.01644 0.06694 -0.05378 -0.16425 0.09775 137 2S 0.00921 0.16670 -0.14162 -0.14844 0.07762 138 11 H 1S 0.11005 -0.05442 -0.00316 0.05479 0.13239 139 2S 0.04819 -0.13604 0.08423 0.12840 0.03820 140 12 H 1S 0.09210 -0.03983 0.02880 -0.09389 0.07456 141 2S 0.11039 0.08301 -0.13386 -0.11775 0.07448 142 13 H 1S -0.08230 -0.04785 0.14750 0.08425 0.04964 143 2S -0.07416 -0.08310 0.10218 0.14568 0.02608 144 14 H 1S -0.09298 -0.01856 0.03423 0.04208 -0.24685 145 2S -0.13171 -0.13600 0.20565 -0.07254 -0.36932 146 15 C 1S 0.00107 -0.01051 -0.02287 -0.01648 -0.02942 147 2S -0.02342 -0.07965 -0.29632 -0.32397 -0.29957 148 2PX -0.02336 -0.09940 0.01268 0.03347 0.03783 149 2PY 0.06009 -0.03921 0.05335 0.06557 0.12023 150 2PZ 0.01938 -0.02365 -0.01948 -0.00116 -0.03181 151 3S -0.70095 -0.47455 1.16506 0.31891 1.74089 152 3PX -0.53538 0.07432 0.16753 0.20233 -0.19137 153 3PY -0.83563 -1.70779 -0.17087 -1.42883 0.38977 154 3PZ -0.06856 0.14454 0.15013 0.20125 -0.31424 155 4XX 0.03208 -0.03033 0.01883 0.06123 -0.10207 156 4YY -0.01750 -0.09551 0.01647 -0.08759 0.17931 157 4ZZ 0.01846 0.15552 -0.05605 0.05699 -0.10035 158 4XY 0.13352 -0.06672 -0.06605 -0.12645 -0.01424 159 4XZ -0.10159 -0.03831 0.14110 0.12146 0.18891 160 4YZ 0.01620 0.01071 -0.06621 -0.04617 -0.01100 161 16 O 1S -0.02881 0.01857 -0.00228 -0.00341 0.00635 162 2S -0.14949 0.16803 -0.04705 -0.05899 0.03483 163 2PX -0.06149 -0.00098 0.05215 0.00554 0.13869 164 2PY -0.06724 -0.03243 -0.01187 -0.09740 0.04177 165 2PZ -0.00567 -0.00069 0.05333 0.02608 0.02466 166 3S 0.84734 -0.75288 0.21212 0.18528 -0.19856 167 3PX -0.01834 0.11852 -0.12867 0.08795 -0.15684 168 3PY 0.13301 0.33736 -0.37777 -0.35293 -0.03427 169 3PZ -0.01218 -0.04906 -0.01456 0.19168 -0.04662 170 4XX 0.04672 0.00116 0.00530 0.00540 0.28014 171 4YY -0.11771 0.21622 0.04440 -0.04505 -0.07385 172 4ZZ -0.04659 -0.10268 -0.09741 0.01891 -0.22427 173 4XY 0.01972 -0.08319 -0.05973 -0.08774 0.12930 174 4XZ -0.00537 -0.04242 0.04917 0.00667 0.09846 175 4YZ 0.16406 0.03847 0.07526 0.04275 -0.04431 176 17 C 1S 0.00658 0.00849 0.01361 0.02365 -0.02845 177 2S -0.07216 0.03321 0.29697 0.41030 -0.29664 178 2PX 0.07989 0.09483 -0.03392 -0.07284 0.10697 179 2PY 0.00464 0.06091 -0.00104 0.05854 -0.06229 180 2PZ 0.04935 -0.02926 -0.02166 -0.03320 0.05579 181 3S -0.20440 0.90271 -0.12284 -1.16148 2.06621 182 3PX -0.56229 0.66193 0.73997 0.09390 0.07433 183 3PY -0.24127 -0.68861 -1.21601 -0.82126 -0.87032 184 3PZ -0.21195 0.94217 1.00470 0.61361 0.48202 185 4XX 0.15108 0.00435 -0.09828 0.11485 -0.06523 186 4YY -0.15119 0.04545 -0.02401 -0.18507 0.08687 187 4ZZ 0.03592 -0.08477 0.08284 0.05616 -0.05925 188 4XY -0.04083 0.09989 -0.12949 -0.16411 0.05557 189 4XZ 0.09778 0.01948 0.07859 -0.03054 0.19819 190 4YZ 0.05662 -0.10893 -0.06376 0.00511 -0.17221 191 18 O 1S -0.00552 0.03124 0.03240 0.00767 0.03255 192 2S -0.16246 0.56619 0.53278 0.12949 0.41945 193 2PX -0.09703 0.01883 0.02003 -0.06067 0.06015 194 2PY -0.11656 0.05606 -0.04572 -0.06025 -0.05940 195 2PZ -0.00154 -0.03371 0.00502 -0.00884 0.04307 196 3S 0.46029 -2.07030 -2.07384 -0.51974 -1.94066 197 3PX 0.15080 0.17971 0.22874 0.17027 0.23763 198 3PY 0.27748 -0.45460 -0.30217 0.05644 -0.32852 199 3PZ -0.05192 0.34688 0.37012 0.07088 0.36353 200 4XX -0.21155 -0.08473 -0.23117 -0.03991 0.33072 201 4YY 0.15262 0.29591 0.26874 -0.09009 0.11350 202 4ZZ -0.02567 0.12581 0.25831 0.19982 -0.20162 203 4XY 0.00603 -0.04970 -0.23016 -0.27481 0.17677 204 4XZ -0.18744 0.25300 0.14798 -0.45552 0.12063 205 4YZ -0.01690 0.16519 0.21663 -0.13990 -0.20057 206 19 O 1S -0.02177 -0.03515 0.00512 -0.02292 0.02212 207 2S -0.45204 -0.54673 0.14316 -0.40042 0.22865 208 2PX -0.09558 0.04928 0.03414 0.05541 0.03817 209 2PY 0.07693 -0.02546 -0.01927 -0.01299 0.09810 210 2PZ -0.01424 0.02688 0.04415 0.04187 -0.03099 211 3S 1.51651 2.20833 -0.44136 1.53727 -1.21806 212 3PX 0.17203 -0.13027 -0.07022 -0.14851 0.00666 213 3PY -0.46929 -0.56275 0.17160 -0.38305 0.34937 214 3PZ 0.08162 0.02844 -0.10237 -0.03165 0.03219 215 4XX 0.22601 0.10482 0.20163 0.12728 0.29668 216 4YY -0.12277 -0.19143 0.03997 -0.15835 0.05311 217 4ZZ -0.36512 -0.24026 -0.16935 -0.18474 -0.21555 218 4XY -0.22406 0.06383 0.10888 0.12461 0.07889 219 4XZ -0.33421 -0.17267 0.32489 0.32809 0.21306 220 4YZ 0.01834 0.09028 0.00020 0.03733 -0.12102 221 20 H 1S 0.00379 0.09214 -0.12325 0.06552 0.31547 222 2S -0.17975 0.13516 -0.06053 0.20242 0.22389 223 21 H 1S 0.06779 -0.08688 0.11650 -0.10771 0.16463 224 2S -0.03637 -0.07328 0.20342 -0.29873 -0.02541 225 22 H 1S -0.09694 0.06158 -0.00149 0.03778 -0.18890 226 2S -0.09478 0.12970 0.01039 0.08225 -0.29349 227 23 H 1S 0.07868 -0.16296 0.11968 -0.07351 -0.06588 228 2S 0.03174 -0.25315 0.35715 -0.16876 0.02153 229 24 H 1S -0.03975 -0.03655 0.11454 -0.08301 -0.01520 230 2S 0.04037 0.00060 0.05111 0.11081 -0.03412 231 25 H 1S -0.03851 -0.04171 0.11673 -0.06420 -0.01639 232 2S 0.00554 0.00783 0.03703 0.01256 -0.02319 233 26 H 1S -0.01809 -0.04064 0.14602 -0.10480 0.00561 234 2S -0.01340 0.03232 0.11134 -0.13760 -0.05327 166 167 168 169 170 V V V V V Eigenvalues -- 1.84096 1.85316 1.87111 1.90263 1.90663 1 1 C 1S 0.01478 -0.00039 0.03505 0.02011 0.00049 2 2S -0.03805 -0.02998 0.17580 0.10917 -0.04515 3 2PX -0.04605 -0.01065 -0.05739 -0.01997 0.00281 4 2PY 0.12167 -0.00478 0.11063 0.08424 0.02605 5 2PZ 0.02831 0.00558 0.09087 0.01922 -0.00711 6 3S -1.07147 0.18510 -1.80956 -1.16161 0.16124 7 3PX 0.11433 -0.03299 0.06466 -0.07005 -0.09208 8 3PY 0.19218 -0.03215 0.54070 0.07128 -0.14439 9 3PZ 0.44580 -0.08833 0.05730 0.60120 0.01423 10 4XX -0.00252 -0.00507 0.07920 -0.12253 -0.09305 11 4YY 0.12897 -0.00750 -0.18819 0.23456 0.11398 12 4ZZ -0.11195 0.00627 0.11575 -0.09955 -0.02372 13 4XY -0.15187 -0.05308 -0.03824 -0.07717 -0.00814 14 4XZ -0.20922 0.01598 -0.20864 0.11121 0.15993 15 4YZ -0.13839 0.05142 0.21872 -0.15434 0.02748 16 2 C 1S 0.02143 -0.00110 0.00049 -0.00349 0.00843 17 2S -0.03191 0.04835 -0.01141 -0.34473 -0.08920 18 2PX -0.04287 0.02807 0.02585 0.03035 0.00599 19 2PY -0.06145 0.00998 -0.12169 -0.09630 0.09564 20 2PZ -0.01026 -0.08033 -0.16025 0.12135 -0.00632 21 3S -1.58513 0.48250 -0.41934 0.13280 -0.20279 22 3PX -0.66814 0.10237 -0.55767 -0.37197 0.07262 23 3PY 2.22708 -0.36839 1.13705 1.79341 -0.14554 24 3PZ 0.39997 -0.03889 1.94819 -0.54832 0.03726 25 4XX -0.03988 -0.03964 -0.19921 -0.07764 -0.02082 26 4YY -0.12304 0.05823 0.17689 -0.13373 0.07823 27 4ZZ 0.17955 -0.02586 -0.04016 0.23462 -0.08219 28 4XY -0.03909 -0.00273 -0.08046 0.02577 -0.03538 29 4XZ -0.04518 0.06585 -0.04092 0.00485 0.15772 30 4YZ 0.13824 0.03319 0.04915 0.12200 0.05209 31 3 C 1S -0.02308 -0.00154 -0.01157 -0.01075 -0.00572 32 2S -0.21859 -0.03127 -0.24844 0.08175 0.16258 33 2PX -0.07260 -0.03866 0.00215 -0.04330 0.01023 34 2PY 0.16674 0.01968 -0.04082 0.16460 -0.02821 35 2PZ -0.00179 0.01123 0.08729 -0.10166 -0.05982 36 3S 2.73059 -0.53643 0.73204 1.32832 0.03237 37 3PX 0.11441 0.01533 0.17387 -0.07229 -0.05821 38 3PY 0.52863 -0.15037 -0.15896 0.31869 0.06245 39 3PZ -1.81915 0.35510 -1.05515 -0.27925 -0.14318 40 4XX 0.13885 -0.01116 -0.14600 0.06746 0.08917 41 4YY 0.03714 -0.01000 0.01993 -0.00641 -0.00943 42 4ZZ -0.12042 -0.00993 0.10411 -0.03966 -0.10778 43 4XY 0.06507 -0.06769 0.02313 -0.12520 -0.07131 44 4XZ -0.38055 -0.05664 -0.14258 0.05860 0.11057 45 4YZ -0.05301 -0.02516 -0.12655 0.11813 -0.16526 46 4 C 1S 0.00986 0.00464 -0.02528 0.02195 -0.00190 47 2S 0.11978 0.12044 -0.19949 -0.03484 0.40688 48 2PX 0.04542 -0.10255 -0.08743 0.03124 0.06162 49 2PY 0.03912 -0.01816 -0.05779 -0.04596 0.18650 50 2PZ -0.05784 -0.04660 -0.05704 -0.00829 0.00231 51 3S -0.42675 -0.27159 0.09743 -0.53092 -0.48057 52 3PX -0.08220 0.60947 -0.03067 0.19332 0.15373 53 3PY -0.84999 0.81951 -0.22216 0.06657 -0.39562 54 3PZ -0.34233 0.27099 -0.14172 0.11116 0.08329 55 4XX -0.02769 0.03136 0.06752 0.03615 -0.02500 56 4YY -0.23250 -0.00687 0.02576 -0.08922 -0.12852 57 4ZZ 0.26010 -0.06466 -0.12950 0.06675 0.10751 58 4XY 0.00664 0.16368 -0.07078 0.03870 0.09711 59 4XZ 0.00719 -0.15271 -0.07771 0.08994 0.21463 60 4YZ -0.02802 0.07398 -0.05106 0.04246 -0.08277 61 5 C 1S -0.02103 -0.00392 0.01422 0.00271 -0.02112 62 2S -0.17940 -0.05890 -0.06952 0.34505 -0.11968 63 2PX -0.00922 0.05973 0.03325 0.03468 -0.01601 64 2PY 0.00491 0.02020 0.01981 0.07092 0.01805 65 2PZ 0.19336 0.04452 -0.01039 0.07365 0.12018 66 3S 2.00537 -0.19351 0.50223 -0.77153 0.63948 67 3PX 0.57006 0.76092 -0.42534 -0.30216 0.24053 68 3PY 0.98060 -0.97672 0.33212 -0.65455 -0.36759 69 3PZ -0.93935 -0.36628 -0.16674 -0.24013 -0.65167 70 4XX 0.05553 -0.03966 -0.02682 -0.06065 -0.03258 71 4YY 0.10697 0.01627 0.00664 -0.11883 -0.00710 72 4ZZ -0.17611 0.01802 0.04109 0.13441 0.03222 73 4XY 0.22676 0.06458 -0.09681 -0.10072 -0.17661 74 4XZ 0.11800 -0.15257 0.00493 -0.07289 0.12206 75 4YZ -0.03899 -0.03981 -0.22643 -0.15762 -0.09933 76 6 C 1S 0.01629 0.01110 0.04012 0.01654 0.03459 77 2S 0.23431 0.09965 0.37978 0.01020 -0.03936 78 2PX -0.09646 -0.05202 -0.01886 0.16376 0.05884 79 2PY -0.03698 -0.06005 -0.04797 -0.02877 0.00437 80 2PZ -0.05778 -0.04472 -0.02535 -0.04724 -0.15592 81 3S -1.87924 -0.06081 -2.60924 -0.30428 -0.60076 82 3PX -0.16710 -0.79209 -0.86560 -0.42513 -0.03200 83 3PY 0.81564 -0.51461 0.57899 0.05622 0.08093 84 3PZ 0.12221 0.98341 -0.65674 0.25630 0.73406 85 4XX -0.12217 -0.10522 -0.17518 0.03433 0.06692 86 4YY 0.05337 0.13968 0.25609 0.02333 -0.02136 87 4ZZ 0.04960 -0.02845 -0.10337 -0.04694 0.00617 88 4XY 0.09851 0.13616 -0.01229 -0.15451 0.09572 89 4XZ 0.00633 -0.05477 -0.13850 -0.16493 0.00180 90 4YZ -0.04129 0.01349 0.01172 0.04820 -0.17549 91 7 C 1S 0.00245 -0.00749 -0.02497 0.00676 -0.03348 92 2S -0.06672 -0.05234 0.02672 -0.34403 -0.05348 93 2PX 0.03754 0.06124 -0.01624 -0.22729 -0.07644 94 2PY 0.08216 0.02138 -0.08623 0.06137 -0.07081 95 2PZ -0.08519 0.05371 0.08380 -0.20585 0.01139 96 3S 0.10852 0.08490 0.98848 -0.10388 0.47565 97 3PX 0.31632 -0.75470 0.63483 0.37033 0.15087 98 3PY -0.74334 0.29968 0.03038 -0.93576 0.09929 99 3PZ 0.40429 -0.61626 0.83693 0.17990 -0.10862 100 4XX -0.08362 -0.11164 0.01201 0.14217 -0.06095 101 4YY -0.03475 0.18538 -0.09679 -0.21508 0.02261 102 4ZZ 0.14342 -0.05937 0.03231 0.10266 0.00555 103 4XY -0.02092 0.12164 -0.04266 -0.07706 -0.15813 104 4XZ 0.13445 0.00558 0.12131 -0.15693 -0.15806 105 4YZ -0.17685 -0.04583 -0.03596 -0.28253 -0.00588 106 8 C 1S -0.04410 0.04030 -0.02848 -0.00807 -0.00593 107 2S -0.41226 0.31448 -0.43516 0.39140 -0.14404 108 2PX -0.04299 -0.03014 -0.00508 0.07245 0.00107 109 2PY -0.05235 0.04959 -0.02150 -0.02122 0.17693 110 2PZ 0.03647 -0.03781 -0.01331 0.10044 0.00860 111 3S 1.34965 -1.39368 1.46323 -0.64936 0.19181 112 3PX 0.13894 -0.18828 -0.01186 -0.26890 0.05386 113 3PY -0.14208 -0.18887 0.04039 0.15320 -0.35643 114 3PZ 0.03427 0.09536 0.34047 -0.61569 -0.06815 115 4XX -0.01956 0.14650 -0.03826 -0.02464 -0.13644 116 4YY -0.00007 -0.13042 0.07320 -0.15853 0.20875 117 4ZZ 0.00792 0.00819 -0.02614 0.16273 -0.08644 118 4XY -0.02467 0.02975 0.00604 -0.11457 -0.25064 119 4XZ -0.10507 0.18103 -0.10772 -0.19138 -0.04324 120 4YZ 0.04799 -0.07227 -0.10026 0.14461 -0.13838 121 9 C 1S 0.03784 -0.04409 0.03076 -0.00952 0.02663 122 2S 0.44038 -0.38788 0.24735 -0.04544 -0.17981 123 2PX 0.00361 0.01110 0.03003 -0.03236 0.00578 124 2PY -0.01781 0.05115 -0.08091 0.09246 -0.10851 125 2PZ -0.01545 -0.01878 0.04004 -0.08975 0.00929 126 3S -1.51304 1.62901 -1.11434 0.71974 -0.00571 127 3PX -0.11723 0.29117 -0.05185 -0.05600 -0.02199 128 3PY -0.17554 -0.09003 -0.20012 0.04672 0.23860 129 3PZ 0.14030 0.09448 -0.18446 0.38708 0.34212 130 4XX 0.00409 -0.09901 -0.10303 0.19941 -0.05834 131 4YY -0.06513 -0.05202 0.11116 -0.15570 0.14987 132 4ZZ 0.07772 0.13380 0.01990 -0.02875 -0.06947 133 4XY 0.14501 -0.10886 0.11236 -0.00681 0.02710 134 4XZ 0.02316 -0.07419 -0.05097 0.01102 0.20889 135 4YZ 0.04181 -0.05686 0.01134 0.15106 -0.22839 136 10 H 1S 0.11639 -0.19943 0.01798 0.00052 0.27524 137 2S 0.19049 -0.15099 0.00956 0.03321 0.04507 138 11 H 1S 0.06245 -0.13120 0.10934 -0.14704 0.07821 139 2S 0.08603 -0.09427 0.09528 -0.13048 -0.12316 140 12 H 1S -0.14813 0.11055 -0.15443 -0.04482 -0.00764 141 2S -0.08530 0.06857 -0.21527 0.07054 0.05766 142 13 H 1S -0.15032 0.17612 -0.01024 -0.20073 0.02634 143 2S -0.10752 0.13448 -0.06039 -0.11539 -0.06788 144 14 H 1S 0.03483 -0.25657 -0.02022 0.15616 -0.13464 145 2S 0.34938 -0.19871 0.11086 0.36395 -0.01312 146 15 C 1S -0.00571 -0.00163 -0.01363 -0.00441 0.00333 147 2S -0.15576 -0.20014 -0.35242 0.17371 0.02008 148 2PX -0.03032 0.12898 -0.04846 -0.05036 -0.00996 149 2PY -0.03543 -0.06087 0.00180 -0.03673 0.02653 150 2PZ -0.02919 -0.03500 -0.03225 0.01517 0.03110 151 3S -0.03663 1.25390 0.34627 -0.33711 0.03555 152 3PX -0.22453 -0.34291 0.04300 0.17687 0.01419 153 3PY -0.69153 0.22106 -3.48248 -0.59363 0.22469 154 3PZ -0.05594 -0.63487 0.51624 -0.21813 -0.19616 155 4XX 0.01798 0.00570 0.17210 -0.08699 -0.01048 156 4YY -0.11410 -0.05023 -0.24468 0.03150 0.04769 157 4ZZ 0.11867 0.06662 0.18310 0.06690 -0.05291 158 4XY 0.06425 -0.03227 -0.05714 -0.02281 0.05306 159 4XZ 0.00754 0.21057 0.05497 0.05752 0.04947 160 4YZ 0.07022 0.16524 -0.00884 0.06628 0.00800 161 16 O 1S -0.02169 0.01162 0.04505 0.02045 0.01314 162 2S -0.35878 0.15676 0.55038 0.25104 0.00745 163 2PX 0.00751 0.00611 -0.02219 0.04018 -0.00725 164 2PY 0.02323 -0.06801 -0.02278 0.04883 0.10442 165 2PZ 0.01696 0.00510 -0.07151 -0.05687 0.01227 166 3S 1.39280 -0.66644 -2.47855 -1.17973 -0.35874 167 3PX -0.28768 0.16699 0.73160 0.19194 0.09077 168 3PY -0.20337 0.14013 0.19736 0.21447 0.01341 169 3PZ -0.14228 0.09260 0.47241 0.18417 -0.09159 170 4XX -0.12423 0.08063 0.14099 0.17845 -0.12767 171 4YY -0.00750 0.22532 0.20040 0.02251 0.17352 172 4ZZ -0.06698 -0.21049 -0.00645 -0.05478 -0.00413 173 4XY -0.04539 -0.09073 0.05198 0.06860 0.00387 174 4XZ -0.07686 -0.00826 0.09853 0.05388 0.15332 175 4YZ 0.16700 0.20072 -0.13304 0.04769 0.04314 176 17 C 1S 0.01000 0.00098 0.00615 -0.01007 0.00023 177 2S 0.24134 0.16374 0.09610 -0.10919 -0.09611 178 2PX 0.06644 -0.12342 -0.00491 -0.02879 -0.03415 179 2PY 0.04373 -0.06073 0.03450 -0.00706 -0.00659 180 2PZ 0.09710 0.06582 -0.01144 -0.00501 0.04523 181 3S -0.07698 -1.41026 -0.27099 0.14923 -0.12876 182 3PX 0.69319 -0.15976 -0.14129 -0.41255 -0.10185 183 3PY -1.79935 1.56451 0.56247 1.29416 0.83322 184 3PZ 1.61951 -0.52489 -0.69542 -0.88704 -0.00605 185 4XX 0.01888 0.07411 -0.05215 -0.02667 0.10104 186 4YY 0.01273 0.03665 0.06519 0.09740 0.08328 187 4ZZ -0.12042 -0.09499 -0.00330 -0.01548 -0.20258 188 4XY -0.10829 -0.12678 0.15588 0.07183 0.07884 189 4XZ 0.07166 -0.15871 0.01919 -0.12858 -0.14696 190 4YZ -0.22447 -0.01498 0.03603 0.06591 -0.03213 191 18 O 1S 0.04187 -0.03138 -0.01966 -0.02291 -0.01271 192 2S 0.54282 -0.67191 -0.34149 -0.43850 -0.12647 193 2PX 0.05754 0.02627 0.03554 0.02076 -0.00706 194 2PY -0.05233 -0.02229 0.00737 0.05291 0.10980 195 2PZ 0.10003 0.12540 -0.01108 0.00321 0.01853 196 3S -2.57583 2.36224 1.25936 1.72962 0.68727 197 3PX 0.29191 -0.34900 -0.24487 -0.27279 -0.11912 198 3PY -0.39181 0.30471 0.20489 0.18267 -0.06978 199 3PZ 0.32562 -0.57750 -0.17555 -0.31005 -0.23869 200 4XX 0.09378 -0.33411 -0.05845 0.04943 -0.14097 201 4YY -0.00454 -0.08784 -0.04360 -0.10067 -0.17563 202 4ZZ 0.22563 0.05683 -0.08967 -0.15653 0.24399 203 4XY -0.02071 0.11856 -0.02591 0.17450 -0.09283 204 4XZ 0.08157 0.08194 -0.09591 0.01968 -0.04063 205 4YZ -0.07584 0.17064 0.04632 -0.01251 0.09749 206 19 O 1S -0.01332 0.00994 -0.05679 -0.01112 0.00209 207 2S -0.04725 0.31475 -0.85484 -0.27981 0.07828 208 2PX -0.06534 0.01322 -0.03194 0.00679 -0.02620 209 2PY -0.10783 -0.13337 -0.09058 0.06147 0.02700 210 2PZ -0.00911 -0.07064 0.03848 -0.03042 -0.00674 211 3S 0.60476 -0.93041 3.68818 0.90216 -0.30437 212 3PX 0.11854 0.04695 -0.07796 -0.06389 0.04772 213 3PY -0.09802 0.35680 -0.87696 -0.27313 0.07326 214 3PZ 0.06075 0.16916 0.00305 0.10141 0.02707 215 4XX -0.03379 0.25390 -0.14648 0.07184 -0.23522 216 4YY -0.02309 0.04863 -0.32345 -0.09520 0.03856 217 4ZZ 0.01424 -0.13129 -0.00104 -0.12321 0.20823 218 4XY -0.05358 0.02456 -0.06540 -0.05727 0.00378 219 4XZ -0.12380 -0.17394 0.11038 0.15131 0.04764 220 4YZ -0.02782 -0.19414 -0.00048 -0.08082 0.06252 221 20 H 1S 0.14057 0.28379 0.15253 0.12978 0.24278 222 2S 0.20117 0.29118 0.09265 0.12986 0.29382 223 21 H 1S -0.06401 -0.25172 0.14619 -0.01453 -0.22171 224 2S -0.32460 -0.26389 -0.01359 -0.05558 -0.30240 225 22 H 1S 0.03094 0.23943 -0.09206 0.10417 -0.02745 226 2S -0.18094 0.16187 -0.02609 0.02383 -0.05612 227 23 H 1S 0.27893 -0.04936 0.01415 0.03414 0.05321 228 2S 0.48288 -0.11812 0.30156 0.03327 0.06261 229 24 H 1S 0.01416 0.05110 0.09859 0.08459 0.06795 230 2S 0.00651 -0.01450 0.05053 0.14370 0.03253 231 25 H 1S 0.06134 -0.01874 0.15158 0.05757 -0.02135 232 2S 0.09369 -0.05380 0.08955 0.09344 -0.00520 233 26 H 1S 0.05763 0.00624 0.11911 0.02910 -0.00575 234 2S -0.08044 0.01409 0.14983 -0.10988 -0.05206 171 172 173 174 175 V V V V V Eigenvalues -- 1.92779 1.95056 1.96780 1.97778 1.98788 1 1 C 1S 0.00541 -0.02791 0.01060 0.00370 -0.02107 2 2S 0.03487 -0.00629 0.09338 0.15231 -0.07815 3 2PX 0.00175 0.03536 -0.01195 0.02629 0.00409 4 2PY 0.00029 -0.14723 0.04229 0.00973 -0.05597 5 2PZ 0.03702 -0.06940 0.00852 -0.01348 -0.05573 6 3S -0.24444 1.12361 -1.06762 -0.64029 0.86844 7 3PX -0.01795 0.03818 -0.21472 -0.37692 0.19030 8 3PY 0.28839 -0.23618 0.26784 0.25663 0.03824 9 3PZ -0.35194 0.01441 0.33997 -0.22732 -0.46175 10 4XX 0.14591 0.07896 0.08957 0.11251 0.24737 11 4YY -0.23385 -0.14354 -0.03386 -0.24393 -0.28233 12 4ZZ 0.07958 0.06871 -0.02841 0.11441 0.02105 13 4XY 0.05268 0.08401 0.01081 0.21442 0.12858 14 4XZ -0.09980 0.10228 0.14282 0.26586 -0.13294 15 4YZ 0.26092 -0.24595 -0.13417 0.19755 0.06524 16 2 C 1S 0.00173 0.00077 0.01938 0.00242 0.01834 17 2S 0.03693 0.12956 0.20256 0.16408 0.35684 18 2PX 0.04415 0.00862 -0.02253 -0.03758 0.03127 19 2PY -0.03627 0.16296 -0.11177 0.10051 0.13423 20 2PZ -0.09528 0.28483 0.01571 -0.14502 -0.01251 21 3S 0.38934 -0.62218 -0.64097 -1.13822 -0.90321 22 3PX -0.09705 0.06923 -0.15394 0.30206 -0.03565 23 3PY -0.45136 -0.58635 1.57748 0.04298 -1.16971 24 3PZ 0.91062 -1.30637 0.54592 1.87775 0.77171 25 4XX -0.03696 0.10457 0.09768 -0.13548 0.06912 26 4YY 0.03539 -0.15562 -0.11745 0.07619 -0.03788 27 4ZZ -0.02381 0.07867 0.09594 0.02635 0.01100 28 4XY -0.04623 0.09614 0.06566 0.02530 0.01854 29 4XZ 0.06251 0.11638 0.08174 0.13686 -0.02814 30 4YZ 0.03086 -0.22021 0.00308 -0.09509 -0.08502 31 3 C 1S 0.00128 0.00676 0.01080 -0.01862 0.00988 32 2S -0.01117 -0.08496 0.14483 -0.56509 -0.25987 33 2PX -0.04470 0.01037 -0.02708 0.02669 0.00031 34 2PY -0.11418 -0.06568 0.10587 -0.02404 0.00683 35 2PZ -0.04485 0.03948 -0.14104 0.14111 0.06146 36 3S -0.59266 -0.46004 0.77459 0.61631 -0.48733 37 3PX 0.32651 -0.15633 -0.02503 -0.01895 0.20680 38 3PY -0.30399 0.71340 -0.03883 -0.44735 -0.48715 39 3PZ 0.13491 0.60743 -0.09296 -1.39828 -0.16878 40 4XX -0.02487 0.04994 0.16349 -0.00735 0.08670 41 4YY -0.04119 0.02561 0.01278 0.09924 0.04435 42 4ZZ 0.07313 -0.03833 -0.10766 -0.09734 -0.06180 43 4XY -0.06392 -0.01407 0.05032 -0.12822 -0.03804 44 4XZ -0.09978 -0.08001 0.03511 0.01689 -0.02929 45 4YZ -0.02973 0.00496 0.08710 0.10881 0.16232 46 4 C 1S 0.00609 -0.04037 0.02473 0.02341 0.02289 47 2S -0.15313 -0.94657 -0.09195 -0.05072 -0.02866 48 2PX 0.05026 -0.05297 0.07736 0.01846 0.03885 49 2PY -0.06281 -0.16694 -0.04739 -0.12267 -0.07204 50 2PZ 0.05216 0.09949 0.07783 -0.10928 -0.03079 51 3S -0.08644 2.79158 -0.55054 -0.67726 -0.53713 52 3PX -0.34427 0.05354 -0.26122 -0.32784 -0.27407 53 3PY -0.11219 0.41092 0.29195 0.13900 0.28226 54 3PZ 0.00657 -0.14292 -0.16088 -0.15127 -0.09450 55 4XX 0.02453 -0.09334 0.20780 0.08247 0.13611 56 4YY 0.12263 0.14016 -0.05696 -0.08086 -0.12438 57 4ZZ -0.12157 0.05929 -0.12011 0.00873 0.00664 58 4XY -0.08343 -0.06036 0.12865 0.09868 -0.08460 59 4XZ 0.21204 -0.03094 0.15963 0.03054 -0.02756 60 4YZ -0.05271 -0.18300 0.08052 0.15931 0.15691 61 5 C 1S -0.08182 -0.00999 0.00582 -0.02595 0.01093 62 2S -0.55062 -0.04678 -0.12667 0.00128 0.05757 63 2PX -0.07535 0.14862 -0.05083 0.05719 -0.05690 64 2PY 0.00459 0.06919 -0.04629 0.15287 0.00574 65 2PZ 0.07848 0.04435 -0.03640 0.07489 -0.00297 66 3S 2.78963 0.58469 0.16549 1.36745 -0.55202 67 3PX 0.71324 0.27009 -0.09553 0.03120 0.11713 68 3PY 0.25552 0.59305 -0.13510 -0.20776 -0.26009 69 3PZ -0.08842 -0.46821 0.22925 -0.60433 0.38273 70 4XX -0.12800 0.13438 -0.10266 -0.07416 0.02438 71 4YY 0.00967 -0.04254 0.09605 0.02724 -0.09351 72 4ZZ 0.10184 -0.07965 0.04541 0.03529 0.06501 73 4XY -0.03200 -0.01834 0.24637 0.17224 0.16896 74 4XZ -0.02599 -0.00667 -0.00926 -0.10208 0.12345 75 4YZ 0.10003 -0.11998 -0.02396 0.12054 -0.24455 76 6 C 1S 0.03544 0.06228 -0.01255 0.02493 0.01909 77 2S 0.12986 0.73285 -0.23428 0.63532 -0.25177 78 2PX -0.10817 0.02458 -0.01467 0.10164 0.06158 79 2PY -0.06773 -0.08186 -0.02642 -0.03953 0.02020 80 2PZ -0.12863 0.08088 -0.04946 0.04485 -0.10228 81 3S -1.20830 -2.61523 0.30807 -1.91167 -0.03450 82 3PX -0.48376 -0.62010 0.06954 -0.03529 0.11565 83 3PY 0.16685 0.42620 0.42536 0.33262 -0.67360 84 3PZ 0.39370 -0.73095 0.05093 -0.31607 0.66556 85 4XX 0.10987 0.05476 -0.05841 -0.01058 0.20311 86 4YY -0.25918 0.08818 0.07453 -0.11627 0.15014 87 4ZZ 0.16950 -0.15941 0.01700 0.09529 -0.29831 88 4XY -0.05450 -0.04905 -0.12657 0.11666 0.09436 89 4XZ 0.19095 0.08802 0.06144 -0.18083 0.02539 90 4YZ 0.01702 0.10904 0.07448 -0.05697 0.09610 91 7 C 1S 0.01076 0.02452 0.00157 -0.02807 -0.03014 92 2S 0.36735 0.12926 -0.41319 -0.58299 -0.53290 93 2PX 0.04672 0.11188 -0.02210 0.03583 -0.11437 94 2PY -0.07731 0.01413 0.15455 0.08735 0.04096 95 2PZ 0.08805 -0.08017 -0.03433 0.03394 0.05442 96 3S -0.25917 -0.92781 0.55596 2.32622 2.08649 97 3PX -0.16557 0.15958 0.14228 0.29985 0.02880 98 3PY 0.34687 -0.41822 -0.87384 0.10224 0.26848 99 3PZ 0.25841 0.19285 0.47872 0.64541 -0.02615 100 4XX 0.04976 0.12544 0.10183 -0.12373 -0.06488 101 4YY -0.16701 -0.22494 -0.05650 0.18501 0.13086 102 4ZZ 0.08875 0.09602 0.01113 0.01188 0.00835 103 4XY -0.02733 0.11350 0.12565 -0.07177 -0.16868 104 4XZ -0.00457 -0.00642 0.15484 -0.03526 -0.16564 105 4YZ -0.01379 0.19185 -0.17009 -0.01671 0.00406 106 8 C 1S -0.02533 0.00588 0.00696 -0.03650 0.00397 107 2S -0.05472 -0.07740 -0.44838 -0.46848 0.36363 108 2PX 0.03011 -0.01648 -0.09897 -0.02829 0.05598 109 2PY -0.03177 -0.06897 0.06233 -0.05299 -0.00961 110 2PZ 0.04883 0.03191 -0.12073 -0.04423 0.01604 111 3S 0.51672 0.21907 0.20944 1.58312 -0.72504 112 3PX 0.11502 0.11612 0.04444 0.15487 -0.33854 113 3PY -0.01820 0.17219 -0.08286 -0.43217 -0.20513 114 3PZ -0.15689 -0.37598 0.30047 0.46114 0.07425 115 4XX 0.00559 -0.21769 -0.05684 -0.12080 -0.00445 116 4YY -0.05151 0.25310 0.29219 0.04151 -0.11717 117 4ZZ 0.01560 -0.03228 -0.20177 0.09725 0.09713 118 4XY 0.06970 0.23135 0.08502 0.06812 -0.06194 119 4XZ -0.15582 -0.18126 0.11267 -0.02361 -0.13083 120 4YZ -0.04111 0.00610 -0.15422 -0.00977 0.00399 121 9 C 1S 0.00855 0.02784 0.02329 0.05062 -0.00228 122 2S -0.08747 0.26654 -0.31050 0.60514 0.06254 123 2PX -0.05342 0.01957 -0.05781 0.02213 -0.05555 124 2PY -0.05830 -0.05715 -0.12899 0.05298 0.08684 125 2PZ -0.07881 0.00649 -0.01245 0.01530 -0.02440 126 3S -0.21073 -1.10306 -0.09391 -2.01206 -0.03815 127 3PX 0.11171 -0.35368 0.15692 0.11775 0.27032 128 3PY 0.15576 0.11537 0.12473 -0.83756 -0.31977 129 3PZ 0.18747 -0.12389 0.06064 -0.19968 -0.20428 130 4XX 0.07396 -0.11698 0.10349 -0.02612 0.08394 131 4YY 0.03678 0.09855 0.08636 -0.04959 -0.15322 132 4ZZ -0.08435 0.03542 -0.15849 0.06286 0.05629 133 4XY 0.23136 0.00359 -0.10959 -0.07573 -0.12924 134 4XZ 0.12351 0.04868 0.31078 0.15376 -0.01290 135 4YZ 0.16258 -0.00545 -0.24951 0.04984 0.06259 136 10 H 1S 0.02627 0.09105 0.23608 0.04250 -0.13119 137 2S 0.11631 0.14586 -0.00798 -0.08755 -0.10635 138 11 H 1S 0.04902 0.13163 0.17983 0.31783 0.05634 139 2S -0.00256 0.09139 -0.02317 0.11197 0.07112 140 12 H 1S -0.05664 0.13758 0.08869 -0.08937 -0.06363 141 2S 0.01424 0.01460 -0.07979 -0.02495 0.06338 142 13 H 1S -0.12191 -0.06971 0.18611 -0.12173 -0.01114 143 2S -0.06125 -0.17859 0.05552 0.04180 0.17338 144 14 H 1S 0.10559 0.44164 0.10975 -0.28392 -0.30027 145 2S -0.15988 0.14493 0.36067 -0.07840 -0.24754 146 15 C 1S 0.00114 -0.01768 0.00642 -0.00434 -0.00414 147 2S -0.07763 -0.26488 0.07948 0.01588 -0.30547 148 2PX 0.08959 0.05900 -0.04570 -0.03612 0.09864 149 2PY -0.03718 0.02345 -0.04131 -0.05737 0.11184 150 2PZ -0.06370 0.00397 -0.09033 0.06272 -0.03483 151 3S 1.10337 1.69004 -0.85189 0.36290 0.94153 152 3PX -0.71425 -0.41497 0.45240 0.01414 -0.16649 153 3PY 0.96820 -0.32341 -0.87046 -0.62634 0.76181 154 3PZ -0.71038 -0.08441 0.16285 0.27997 -0.29168 155 4XX -0.09819 0.05026 0.02157 0.02219 0.02707 156 4YY 0.11505 0.06917 -0.12937 -0.08534 0.09181 157 4ZZ 0.03625 -0.09066 0.09816 0.10670 -0.14412 158 4XY 0.20453 0.02075 -0.07535 -0.02564 0.03389 159 4XZ -0.03356 0.04917 0.05320 -0.14947 0.16645 160 4YZ 0.18549 0.00099 0.04118 -0.04592 -0.01493 161 16 O 1S -0.02340 0.01321 0.00371 -0.00333 0.00072 162 2S -0.10204 0.08519 0.14470 0.10862 -0.25074 163 2PX -0.09566 0.05042 -0.01206 -0.01713 0.09411 164 2PY 0.09259 0.05116 -0.08759 -0.00074 0.04039 165 2PZ -0.09990 0.02317 -0.07418 0.05946 -0.02368 166 3S 0.90766 -0.62419 -0.51701 -0.12870 0.45273 167 3PX -0.14792 0.09539 0.11927 0.05613 -0.23664 168 3PY -0.08822 -0.03887 0.10433 -0.16724 -0.10705 169 3PZ 0.03540 -0.01120 0.27765 -0.08918 0.05489 170 4XX -0.03555 0.09022 0.09095 0.01783 0.07067 171 4YY -0.00984 0.08362 0.05228 -0.11952 -0.00961 172 4ZZ -0.04860 -0.12517 -0.09181 0.12481 -0.15197 173 4XY -0.05865 0.08680 -0.12152 0.10358 0.01416 174 4XZ -0.27445 0.12729 -0.19395 0.09464 -0.02884 175 4YZ 0.03348 0.07839 -0.16914 0.11188 -0.15252 176 17 C 1S 0.01729 -0.00632 0.00155 -0.00171 -0.00870 177 2S 0.28698 -0.00783 0.01248 0.25037 -0.17345 178 2PX -0.06372 0.00710 0.02149 -0.00062 0.05570 179 2PY -0.00988 -0.01099 -0.05137 0.08033 -0.10089 180 2PZ -0.05879 0.09703 -0.06628 0.01777 0.04360 181 3S -1.92836 -0.22023 -0.17910 -0.13183 -0.03572 182 3PX 0.56279 0.15462 -0.05613 0.24785 0.07790 183 3PY 0.31285 0.43793 0.08344 -0.55599 0.03436 184 3PZ 0.28320 0.04555 -0.28750 0.62699 -0.20136 185 4XX -0.07294 -0.03297 -0.04089 -0.03608 -0.06417 186 4YY 0.01869 0.10213 -0.04207 -0.03909 0.04899 187 4ZZ 0.01027 -0.11023 0.08951 0.05147 -0.03524 188 4XY 0.01002 -0.01410 0.00024 -0.16017 0.11391 189 4XZ -0.14263 -0.05166 0.03207 -0.03538 0.16542 190 4YZ 0.06564 -0.10058 0.03245 -0.13656 -0.08394 191 18 O 1S -0.01049 -0.00586 -0.00360 0.01582 -0.00139 192 2S -0.13961 -0.16426 -0.11384 0.05855 -0.07323 193 2PX 0.03060 0.04431 0.03442 0.06388 0.07238 194 2PY 0.06355 0.00620 -0.02275 -0.07004 -0.03132 195 2PZ -0.03101 0.09488 -0.03237 0.07366 0.00279 196 3S 0.66372 0.43112 0.37874 -0.70083 0.13886 197 3PX -0.24669 -0.13254 -0.09931 0.04484 -0.11278 198 3PY 0.04489 -0.03848 0.10860 -0.09262 0.03231 199 3PZ -0.16764 -0.20099 0.02145 0.04961 0.04734 200 4XX 0.07708 -0.14101 0.14397 0.06956 0.08534 201 4YY -0.11345 -0.09288 0.01063 -0.00236 -0.13201 202 4ZZ -0.02191 0.13689 -0.19964 -0.01481 -0.00126 203 4XY -0.14146 0.03894 -0.03888 0.16373 -0.22709 204 4XZ -0.14691 0.12336 -0.07819 0.09016 -0.13576 205 4YZ -0.01936 0.09681 -0.02303 -0.10047 0.03693 206 19 O 1S 0.02545 0.00888 -0.01934 -0.00598 0.01365 207 2S 0.41981 0.09843 -0.25049 -0.06279 0.31398 208 2PX -0.07854 0.00164 0.04017 -0.04362 -0.00021 209 2PY -0.00195 0.01435 -0.07260 -0.03665 0.01594 210 2PZ -0.11197 -0.01305 -0.00467 0.04681 -0.01773 211 3S -1.66342 -0.45168 1.23658 0.44419 -1.26123 212 3PX 0.27762 0.07483 -0.16996 0.04965 0.04732 213 3PY 0.48257 0.19181 -0.30419 -0.09822 0.35976 214 3PZ 0.22293 0.01562 0.04281 -0.09931 0.02340 215 4XX 0.20803 0.11375 0.00392 -0.00855 -0.12739 216 4YY 0.10045 0.01457 -0.11998 -0.00020 0.09436 217 4ZZ -0.08430 -0.07171 -0.00732 -0.01373 0.14919 218 4XY -0.02790 0.01776 0.04917 -0.03274 0.09531 219 4XZ 0.09054 0.05612 -0.13836 0.27247 -0.11498 220 4YZ -0.24132 -0.00183 -0.12039 0.11123 -0.01129 221 20 H 1S 0.13986 0.22968 -0.04362 0.02492 0.36831 222 2S 0.20991 -0.08157 0.06157 0.14710 0.17317 223 21 H 1S -0.41045 0.03935 0.02292 -0.32873 0.26822 224 2S -0.18988 -0.01355 0.03084 -0.31685 0.00811 225 22 H 1S -0.11356 -0.37456 0.23800 0.28253 0.26032 226 2S 0.00068 0.05061 0.16882 0.03852 0.08197 227 23 H 1S -0.04904 0.00750 0.07163 0.27642 0.12399 228 2S -0.06594 -0.10278 -0.07046 0.33138 0.00579 229 24 H 1S 0.01512 -0.11128 0.03215 0.04699 -0.16534 230 2S -0.10341 -0.02688 0.12012 0.10765 -0.16081 231 25 H 1S -0.00952 -0.14463 -0.06425 -0.06810 -0.09217 232 2S -0.05637 0.00327 0.00656 -0.08030 -0.01159 233 26 H 1S 0.09597 -0.17710 0.00748 0.02965 0.00571 234 2S 0.17030 -0.09589 -0.01207 0.18216 0.09462 176 177 178 179 180 V V V V V Eigenvalues -- 2.00372 2.01138 2.02012 2.03625 2.05986 1 1 C 1S -0.00397 0.00417 0.01850 0.00890 0.00647 2 2S 0.03975 0.03903 0.07552 0.09792 0.08516 3 2PX 0.01264 -0.00306 -0.00757 -0.01248 -0.00484 4 2PY -0.04726 0.01896 0.04647 0.01751 -0.00096 5 2PZ -0.00012 -0.00636 0.04101 0.00013 -0.02250 6 3S 0.26174 -0.14088 -0.84426 -0.47945 -0.47459 7 3PX 0.39310 0.14115 -0.24059 -0.15543 0.22694 8 3PY -0.05275 0.10639 0.05681 0.28968 0.28896 9 3PZ 0.07202 -0.09885 0.27565 -0.23756 0.02164 10 4XX -0.09565 0.05906 -0.13623 0.19589 0.10755 11 4YY -0.00134 -0.07628 0.15201 -0.23100 -0.00632 12 4ZZ 0.08162 0.00421 -0.00594 0.03411 -0.08643 13 4XY -0.13003 0.00549 -0.05909 0.08068 0.04140 14 4XZ -0.39037 -0.21898 0.18319 0.00796 -0.20032 15 4YZ -0.16387 0.06346 0.09044 0.16815 -0.04653 16 2 C 1S -0.02554 -0.00324 -0.01612 0.00969 0.01312 17 2S -0.15662 -0.35043 -0.16018 -0.38405 0.38543 18 2PX 0.00373 -0.05687 0.01002 -0.09443 0.10206 19 2PY 0.06356 0.11982 -0.18845 0.11582 -0.07029 20 2PZ 0.03237 -0.00735 -0.06937 0.09790 -0.09247 21 3S 0.49194 0.28175 0.58980 0.04875 -0.41053 22 3PX -0.40229 -0.01662 0.01827 0.33718 -0.41863 23 3PY -0.46762 -0.39741 0.95374 -0.26402 0.27926 24 3PZ -0.60794 0.51620 -0.15282 1.17500 0.71642 25 4XX -0.06404 -0.10256 -0.13097 -0.04448 0.20337 26 4YY -0.01305 -0.01004 0.01171 0.01993 -0.09908 27 4ZZ 0.01732 0.10992 0.08797 0.05677 -0.11987 28 4XY -0.25255 -0.08843 0.02720 -0.05057 0.04094 29 4XZ -0.00702 -0.11186 0.11166 -0.00526 -0.12856 30 4YZ -0.12210 -0.01459 0.10490 -0.05070 0.02472 31 3 C 1S -0.00956 -0.01405 -0.00869 -0.01843 0.01442 32 2S -0.27294 -0.06801 0.02078 0.22697 0.41822 33 2PX -0.05884 -0.01301 -0.01058 0.09888 0.02749 34 2PY -0.07747 0.01084 0.01389 -0.15003 0.07586 35 2PZ 0.12035 -0.02812 -0.02055 -0.13505 -0.15624 36 3S 0.02158 -0.09599 0.53712 -0.34729 -0.70486 37 3PX 0.28174 0.12412 -0.11111 -0.16063 0.08478 38 3PY 0.19627 -0.41251 0.12043 -0.36024 -0.04973 39 3PZ 0.03735 -0.33391 -0.12610 -0.37450 0.45988 40 4XX -0.20464 -0.16212 -0.07189 -0.07172 0.16902 41 4YY 0.11854 0.25309 -0.05566 -0.00593 -0.06922 42 4ZZ 0.03976 -0.12080 0.09687 0.01129 -0.11303 43 4XY 0.06837 0.10454 -0.03878 -0.06501 0.07750 44 4XZ -0.17508 -0.03281 0.06782 0.06734 -0.11528 45 4YZ -0.03966 0.07900 0.05787 -0.09676 -0.02615 46 4 C 1S 0.01359 0.02391 0.00866 0.02286 -0.01415 47 2S -0.03055 0.07915 -0.00298 0.20825 -0.13542 48 2PX 0.21729 -0.03428 -0.04752 0.14655 0.04891 49 2PY -0.02655 -0.03847 -0.05994 0.10728 0.03344 50 2PZ -0.00779 -0.05386 -0.02938 0.02137 0.05034 51 3S -0.45834 -0.63034 -0.52470 -0.27925 0.64496 52 3PX -0.07084 0.36349 -0.10106 0.40872 -0.15587 53 3PY 0.30276 0.12182 -0.12037 -0.62458 0.36092 54 3PZ 0.30303 -0.20843 0.33745 -0.03850 -0.00434 55 4XX -0.07016 -0.01187 -0.00880 0.13550 0.29813 56 4YY 0.02588 -0.13117 0.13213 0.02646 -0.05360 57 4ZZ 0.05002 0.15086 -0.13015 -0.12609 -0.25401 58 4XY -0.03717 0.18950 0.02521 0.07373 -0.06735 59 4XZ 0.24032 -0.05249 0.06746 0.07651 -0.07283 60 4YZ 0.11451 0.00632 0.02937 -0.25763 0.02697 61 5 C 1S 0.00210 0.02776 -0.04904 0.07783 0.02094 62 2S 0.83313 0.33572 -0.18996 0.83609 -0.03011 63 2PX -0.14673 0.05670 -0.02266 -0.03161 -0.00862 64 2PY 0.09351 0.19222 0.09090 -0.05320 -0.03581 65 2PZ 0.07592 -0.02371 -0.06060 0.07983 -0.08849 66 3S -1.34102 -1.22829 2.14234 -3.15650 -0.79484 67 3PX 0.63820 -0.41732 0.21422 -0.37359 0.02694 68 3PY -0.85202 -0.98626 0.11513 -0.46698 -0.11291 69 3PZ 0.45128 -0.36217 0.41351 -0.65903 0.04232 70 4XX -0.08033 0.10412 0.13145 0.16803 0.12551 71 4YY 0.08720 -0.40085 -0.18172 -0.09134 0.08672 72 4ZZ -0.10434 0.28633 0.04328 -0.09364 -0.18881 73 4XY 0.02028 -0.16390 0.02245 -0.08166 -0.08382 74 4XZ 0.03050 0.00236 -0.02419 -0.08944 -0.09608 75 4YZ 0.16899 -0.14126 0.26538 0.09940 -0.00639 76 6 C 1S -0.00726 -0.04113 -0.00994 -0.08120 0.00646 77 2S -0.10764 0.13178 0.31733 -0.78250 -0.23552 78 2PX 0.13766 -0.05695 -0.00706 0.07085 0.00275 79 2PY -0.04972 -0.00034 -0.13882 -0.10728 0.00037 80 2PZ 0.10568 0.07092 0.08560 -0.00350 -0.09150 81 3S 0.91682 1.34173 -0.08114 3.22063 0.07998 82 3PX -0.23558 0.63865 -0.31202 0.46944 0.05720 83 3PY -0.72144 0.31676 0.85078 0.30711 -0.44256 84 3PZ -0.50838 0.38433 -0.46636 0.69455 0.02425 85 4XX 0.00466 0.08700 0.01394 -0.07655 0.10594 86 4YY 0.01684 -0.27470 -0.13820 0.07753 -0.10150 87 4ZZ -0.00695 0.14686 0.08248 0.01300 0.03843 88 4XY 0.07083 -0.05570 0.19235 -0.07953 -0.00049 89 4XZ -0.11767 0.23806 -0.19669 0.15619 -0.04351 90 4YZ 0.18458 -0.06177 0.19163 0.08819 -0.20740 91 7 C 1S 0.00439 0.00340 0.03243 -0.03652 -0.02105 92 2S -0.01948 -0.41876 0.32063 -0.32890 -0.18898 93 2PX -0.08766 0.06343 0.00918 -0.16642 0.01008 94 2PY -0.02673 0.13240 -0.03880 -0.02159 0.00885 95 2PZ -0.03968 -0.08206 -0.07121 -0.05868 0.06213 96 3S -0.00982 0.58280 -1.48539 1.10916 1.20444 97 3PX 0.20886 -0.31523 0.08510 -0.27866 -0.05448 98 3PY -0.03616 -0.04551 0.12411 -0.32915 -0.07917 99 3PZ -0.38503 0.46729 0.17140 0.83278 0.29089 100 4XX 0.06518 -0.13057 0.09420 -0.20341 0.20968 101 4YY -0.00366 0.07585 -0.09390 -0.12647 -0.10256 102 4ZZ -0.05535 0.11430 -0.03023 0.30199 -0.09743 103 4XY -0.22239 0.11015 0.08411 0.00951 0.06159 104 4XZ 0.15854 0.18214 0.09570 -0.08603 -0.03644 105 4YZ 0.15669 -0.05541 -0.09620 0.02282 -0.26571 106 8 C 1S 0.04982 0.00212 -0.02570 0.00808 0.01057 107 2S 0.62858 -0.22076 -0.23659 0.23116 0.10068 108 2PX 0.07894 -0.09709 0.02211 0.03247 0.02349 109 2PY 0.08158 -0.00370 -0.02181 0.00061 -0.00594 110 2PZ 0.02190 0.00357 -0.00127 -0.03501 -0.07614 111 3S -2.01411 0.28565 1.01069 -0.92850 -0.57413 112 3PX -0.56148 0.57308 0.30402 -0.44102 0.04557 113 3PY 0.32251 -0.29147 0.14625 0.21790 -0.12613 114 3PZ -0.15536 -0.30546 -0.05081 -0.03402 -0.20154 115 4XX -0.10145 0.01430 -0.09484 0.02354 -0.22479 116 4YY 0.08432 0.07954 -0.10572 -0.20604 -0.09039 117 4ZZ 0.00699 -0.06522 0.17938 0.16735 0.31141 118 4XY -0.02034 0.08031 0.13790 0.00013 0.17495 119 4XZ 0.13212 0.23041 0.11044 -0.19628 0.11243 120 4YZ 0.01106 0.04858 -0.02155 -0.17824 -0.18434 121 9 C 1S -0.03343 0.00763 -0.00698 -0.01141 -0.00439 122 2S -0.80849 0.10254 0.01616 -0.14836 -0.22017 123 2PX -0.13479 0.05279 0.03070 -0.03124 -0.01628 124 2PY -0.03198 0.01772 -0.01245 0.04402 -0.05656 125 2PZ -0.02668 -0.00614 -0.00248 -0.00342 -0.10422 126 3S 2.19763 -0.18528 0.06325 0.82156 0.22508 127 3PX 0.64987 -0.22980 0.19021 0.37281 0.14305 128 3PY 0.52337 -0.21225 -0.02570 0.24420 0.08226 129 3PZ -0.31540 0.40047 -0.08897 -0.31526 -0.14935 130 4XX 0.01020 -0.04434 -0.04607 -0.11481 -0.09886 131 4YY 0.00833 -0.01009 0.11019 -0.05215 0.15323 132 4ZZ 0.03990 0.04858 -0.08933 0.17071 -0.03559 133 4XY -0.03001 -0.15029 0.08371 0.06398 -0.23710 134 4XZ 0.26343 0.09290 0.07761 0.21610 0.14621 135 4YZ -0.01881 0.01489 0.23011 0.01048 0.31844 136 10 H 1S -0.17101 0.06237 -0.14066 -0.13188 -0.28914 137 2S -0.20733 0.02169 -0.01158 -0.15668 0.02945 138 11 H 1S 0.07397 0.01442 0.12793 0.15444 0.27402 139 2S 0.05548 -0.12231 0.02995 0.11000 -0.02627 140 12 H 1S 0.18401 0.20468 0.09017 -0.07983 0.33224 141 2S -0.01716 0.17548 -0.04737 -0.07232 0.01219 142 13 H 1S 0.20782 -0.04871 -0.21888 -0.01625 -0.20975 143 2S 0.07127 -0.11508 -0.11808 0.16933 0.05938 144 14 H 1S -0.01070 -0.06216 0.11706 0.09179 -0.10939 145 2S -0.00834 0.02061 0.07437 0.07801 -0.01505 146 15 C 1S 0.00030 0.00020 -0.00889 0.00990 -0.00269 147 2S -0.00744 0.10303 -0.01901 0.15539 -0.09414 148 2PX 0.07148 0.07538 -0.07442 0.04467 -0.04837 149 2PY -0.04694 0.14907 0.08846 0.04022 -0.00045 150 2PZ 0.05273 -0.01529 -0.00159 -0.03098 0.02512 151 3S 0.84331 -1.28000 -0.43612 -1.81223 0.49809 152 3PX -0.12306 0.40314 0.59107 1.03334 -0.37191 153 3PY 0.46830 0.16097 -0.62282 -0.21353 0.12842 154 3PZ 0.08085 0.16377 0.38935 0.30088 0.09562 155 4XX 0.08851 -0.26689 -0.01030 -0.01114 0.03616 156 4YY -0.02029 0.27402 0.01043 0.00092 -0.00549 157 4ZZ -0.07135 -0.02792 -0.09608 -0.05253 -0.01531 158 4XY -0.03429 0.00270 -0.03818 -0.14421 0.07535 159 4XZ -0.01577 -0.12992 0.22209 0.11167 -0.07194 160 4YZ -0.04947 -0.02504 -0.06540 -0.01489 -0.01368 161 16 O 1S 0.01117 0.01026 0.01757 -0.00312 -0.00108 162 2S 0.14258 0.03400 -0.18739 -0.03552 0.12725 163 2PX 0.02097 0.03618 0.16475 0.02358 -0.10383 164 2PY 0.00174 0.13030 0.01384 -0.08925 0.01921 165 2PZ 0.03400 -0.02817 0.06106 0.04703 0.01426 166 3S -0.64156 -0.41797 -0.24700 0.16388 -0.27609 167 3PX 0.12694 -0.07269 -0.24994 -0.02970 0.27941 168 3PY -0.05552 0.17962 -0.13751 -0.14356 0.04957 169 3PZ -0.00818 -0.10884 -0.10349 0.02196 -0.11300 170 4XX 0.09032 0.10832 0.02908 0.06238 -0.23592 171 4YY -0.03199 0.00656 0.07119 0.05468 0.17558 172 4ZZ 0.01879 -0.07513 -0.09495 -0.13758 0.09342 173 4XY 0.08121 0.04448 0.04361 -0.14463 -0.04794 174 4XZ 0.07758 0.04342 0.12235 0.01571 0.11361 175 4YZ 0.02923 0.03350 -0.11238 0.16538 -0.02333 176 17 C 1S -0.00391 -0.00420 -0.00169 -0.01092 -0.00343 177 2S 0.02440 -0.09147 0.02780 -0.14145 -0.09757 178 2PX 0.02279 -0.04804 0.07628 -0.03911 -0.08128 179 2PY -0.03188 0.07058 -0.09976 0.03824 0.00671 180 2PZ 0.04819 -0.02694 0.08555 0.00697 0.02605 181 3S -0.67247 1.03949 -1.00297 1.83384 0.40382 182 3PX -0.14008 -0.14554 0.71104 -0.74794 -0.33908 183 3PY 1.05490 0.51908 0.28254 -0.91347 0.27577 184 3PZ -0.53400 -0.25477 0.28734 0.27033 -0.08889 185 4XX -0.07012 0.07746 -0.14030 0.10999 0.09097 186 4YY 0.04199 0.06006 0.09888 -0.09871 -0.02344 187 4ZZ 0.05283 -0.14842 -0.06014 0.03659 -0.05704 188 4XY -0.10820 0.23962 -0.00554 -0.16055 0.03713 189 4XZ -0.07764 -0.05127 0.16228 0.03200 -0.01764 190 4YZ -0.00754 0.05552 -0.14525 0.02895 0.04902 191 18 O 1S -0.01414 -0.00385 -0.00146 0.01751 -0.00374 192 2S -0.42468 0.14331 -0.13754 0.31004 0.01583 193 2PX 0.05806 -0.06570 0.11662 -0.07437 -0.05517 194 2PY -0.02899 0.11366 -0.05560 -0.03830 0.06442 195 2PZ 0.06462 -0.07926 0.10022 0.01571 0.00038 196 3S 1.44770 -0.03470 0.18002 -1.26682 0.14884 197 3PX -0.25118 0.03092 -0.23895 0.42352 0.08903 198 3PY 0.18009 -0.11922 -0.05848 -0.10499 -0.05104 199 3PZ -0.29094 0.02160 -0.11228 0.21029 -0.09437 200 4XX 0.07590 -0.03988 0.06303 0.03806 -0.11805 201 4YY -0.14736 -0.03821 -0.26911 0.10846 -0.02537 202 4ZZ -0.11444 0.14684 0.10696 -0.00232 0.15208 203 4XY 0.08038 -0.06586 -0.24184 0.21772 0.10364 204 4XZ 0.04260 -0.03372 -0.04715 0.12199 0.00597 205 4YZ 0.04277 0.01469 0.05935 -0.11505 -0.01666 206 19 O 1S 0.01010 0.00002 -0.01104 -0.01305 0.00223 207 2S 0.23716 -0.32928 -0.19746 -0.25035 0.08942 208 2PX -0.01641 0.06401 0.05298 0.08201 -0.03994 209 2PY -0.02935 0.23365 0.04070 0.01796 -0.01012 210 2PZ 0.02041 -0.01721 0.03250 -0.00582 0.04571 211 3S -0.85067 0.55459 0.78001 0.96054 -0.30865 212 3PX 0.05331 -0.15731 -0.19486 -0.30908 0.13241 213 3PY 0.23870 -0.26149 -0.21709 -0.29372 0.08728 214 3PZ -0.08083 -0.00682 -0.09255 -0.00101 -0.11384 215 4XX -0.01106 0.06627 -0.10118 -0.15630 -0.02854 216 4YY 0.09508 -0.10532 -0.04042 -0.07744 0.05548 217 4ZZ 0.02632 -0.11950 0.02758 0.11228 0.00250 218 4XY -0.01686 0.14902 0.12025 0.10761 -0.10062 219 4XZ 0.05680 0.00906 -0.29467 -0.22846 0.11215 220 4YZ 0.05508 0.00745 0.14696 -0.02190 0.11887 221 20 H 1S -0.19809 -0.13168 -0.15717 -0.19697 -0.02587 222 2S -0.29058 0.12360 -0.06057 0.04767 -0.00928 223 21 H 1S -0.03648 0.01067 -0.24157 0.16340 0.07943 224 2S 0.07152 -0.22196 0.05718 -0.05820 0.02096 225 22 H 1S 0.07776 0.17911 -0.04735 -0.18746 0.05077 226 2S 0.09846 0.04051 -0.06484 -0.20392 0.06582 227 23 H 1S -0.04814 0.14923 -0.06248 0.05336 0.04625 228 2S -0.00125 0.05473 0.01395 0.12798 -0.15549 229 24 H 1S -0.05352 -0.04864 0.18186 0.00210 -0.11728 230 2S -0.10121 -0.03363 0.09175 0.02622 -0.07329 231 25 H 1S 0.15400 0.08566 0.03060 -0.04482 0.06655 232 2S 0.09540 0.00946 -0.01565 -0.04504 0.06790 233 26 H 1S -0.11098 0.04533 0.04120 0.10811 0.08468 234 2S -0.00969 0.06599 -0.01184 0.12867 0.01268 181 182 183 184 185 V V V V V Eigenvalues -- 2.09223 2.11589 2.12297 2.13405 2.18786 1 1 C 1S 0.01912 -0.01687 -0.00619 -0.01398 0.00604 2 2S 0.12096 -0.11282 -0.30769 -0.11361 0.13616 3 2PX -0.01091 -0.00771 -0.03135 0.03048 -0.06065 4 2PY 0.02482 -0.05388 0.07671 -0.02443 -0.03984 5 2PZ 0.10936 -0.04986 0.11082 -0.02173 -0.01346 6 3S -1.20763 1.58944 -0.55854 1.04385 -0.16293 7 3PX -0.03475 -0.06944 -0.13661 0.34028 -0.29846 8 3PY 0.16279 -0.53467 0.12986 -0.20956 0.06275 9 3PZ 0.48145 -0.47394 0.20571 -0.36308 0.08631 10 4XX -0.44910 0.03008 -0.05736 0.01078 0.18856 11 4YY 0.07985 0.05854 -0.03246 0.04224 -0.36923 12 4ZZ 0.37306 -0.12911 0.14035 -0.06887 0.17447 13 4XY -0.10253 -0.15222 -0.10300 0.19692 -0.51082 14 4XZ 0.03262 0.13916 0.08598 -0.26618 0.33375 15 4YZ -0.13536 0.27141 -0.02292 0.09475 -0.08699 16 2 C 1S -0.03003 -0.01973 0.03301 -0.00804 -0.01449 17 2S -0.53083 -0.53122 0.82174 -0.12616 -0.06050 18 2PX -0.00139 -0.01235 0.00481 0.05490 -0.05645 19 2PY 0.03120 0.07488 -0.18734 0.01160 0.10854 20 2PZ -0.09349 0.02834 -0.19341 0.08947 0.09236 21 3S 1.02749 2.72501 -4.04835 0.91611 0.50821 22 3PX -0.18404 0.68488 -0.56156 0.06357 -0.07900 23 3PY 1.15966 -2.70290 3.27609 -1.44625 -0.59079 24 3PZ 0.07299 -1.32030 0.70936 -0.70747 0.35371 25 4XX -0.32457 -0.16154 -0.11270 -0.09519 -0.02567 26 4YY 0.25544 0.01661 -0.03494 -0.04797 0.08297 27 4ZZ 0.01497 0.16130 0.07332 0.15091 -0.05917 28 4XY -0.08831 0.02835 -0.02490 -0.07885 0.04855 29 4XZ -0.03590 0.10312 0.03825 -0.12082 0.23545 30 4YZ -0.22469 0.07591 0.03762 -0.02153 -0.02809 31 3 C 1S -0.02552 0.01553 -0.03259 0.00256 0.00026 32 2S -0.41102 0.36234 -0.78306 0.20830 0.10845 33 2PX 0.04751 0.00975 0.00749 0.02869 0.00460 34 2PY -0.13110 -0.04967 0.12258 -0.11401 -0.08764 35 2PZ 0.11301 -0.08198 0.20144 -0.03783 0.00065 36 3S 1.63887 -2.48830 4.46341 -1.01481 -0.73247 37 3PX -0.02130 0.19702 -0.39342 0.13123 0.23981 38 3PY 0.04610 -1.02180 1.26164 -0.38307 -0.27912 39 3PZ -1.01136 1.80519 -2.96492 0.71628 0.21600 40 4XX -0.19279 -0.11844 0.02175 -0.21570 -0.08762 41 4YY 0.16287 0.10736 -0.03986 -0.01307 -0.02916 42 4ZZ -0.05199 -0.04256 0.11756 0.18720 0.06469 43 4XY -0.16771 -0.18734 0.00532 0.06504 -0.01520 44 4XZ 0.07445 -0.09334 -0.00562 0.06858 -0.18789 45 4YZ -0.17309 0.11286 0.13361 0.13113 -0.08427 46 4 C 1S 0.02609 0.02093 0.03072 0.05088 0.01039 47 2S 0.33394 -0.27122 0.41654 -0.01694 -0.00413 48 2PX -0.01070 0.01950 0.08450 -0.03932 -0.00174 49 2PY 0.02103 -0.02860 -0.00199 -0.04097 -0.00516 50 2PZ -0.01444 0.22020 -0.34570 0.14454 0.06624 51 3S -1.32595 0.35817 -1.55789 -0.72496 -0.24664 52 3PX -0.12316 -0.34970 0.43676 0.07065 -0.13520 53 3PY -0.62793 0.29168 -1.14446 -0.21746 0.06888 54 3PZ -0.17451 -0.87128 1.18003 0.06751 -0.09015 55 4XX 0.04082 0.09729 -0.00939 0.07918 0.12456 56 4YY -0.07065 -0.22807 0.14798 0.06766 0.00451 57 4ZZ 0.02548 0.18346 -0.16958 -0.08516 -0.11221 58 4XY -0.09195 -0.11118 -0.00827 0.14886 0.04230 59 4XZ -0.06989 -0.05255 -0.02923 0.02066 -0.02810 60 4YZ -0.00348 0.03513 0.18643 0.00641 -0.01987 61 5 C 1S 0.00499 -0.00731 0.04252 -0.02783 0.01957 62 2S -0.36580 -0.39289 0.79411 -0.48174 0.27759 63 2PX 0.00519 0.01623 -0.20529 0.05981 -0.05266 64 2PY -0.13438 -0.09007 -0.00171 -0.03319 0.07259 65 2PZ 0.05287 -0.14368 0.16793 0.03253 -0.05181 66 3S 0.65900 0.31073 -1.93292 1.53134 -0.92569 67 3PX -0.17897 0.57867 -0.46982 -0.64689 -0.36168 68 3PY 0.52858 0.86400 -0.86836 0.36751 -0.14718 69 3PZ -0.05402 1.45953 -1.18429 -0.35755 0.11360 70 4XX -0.03832 0.14078 0.08871 0.06398 -0.06279 71 4YY 0.06727 -0.01347 0.04164 -0.04601 0.05432 72 4ZZ 0.06583 -0.08096 -0.22432 0.02290 -0.04023 73 4XY 0.10252 0.09122 -0.13367 0.04470 0.06253 74 4XZ 0.01662 -0.03620 -0.01559 -0.27433 -0.10708 75 4YZ -0.14569 -0.15243 -0.04436 -0.08842 -0.20854 76 6 C 1S 0.00682 0.00490 -0.03855 0.02727 0.01515 77 2S -0.34483 0.01413 -0.90082 0.25527 0.04304 78 2PX -0.04249 -0.07752 0.14116 -0.13562 -0.04223 79 2PY 0.07808 0.14192 -0.06152 -0.07500 0.05029 80 2PZ -0.10428 0.10528 -0.18276 -0.05118 0.00029 81 3S 0.28424 0.39778 1.94956 -1.25351 -0.49559 82 3PX 0.27020 -0.73489 0.34885 0.04042 0.33299 83 3PY 0.11998 -0.92447 0.29553 0.47856 -0.51806 84 3PZ 0.84274 -0.78120 1.48303 0.28431 -0.56200 85 4XX 0.04957 0.16435 0.17838 0.14025 -0.00201 86 4YY 0.13148 0.03091 -0.05803 0.00473 -0.11991 87 4ZZ -0.09240 -0.18525 -0.03002 -0.18214 0.13560 88 4XY -0.11307 -0.13005 -0.19675 0.06737 0.11281 89 4XZ 0.06249 -0.16812 -0.03941 -0.03561 0.16924 90 4YZ 0.00553 -0.02716 0.07555 -0.12553 -0.13160 91 7 C 1S 0.02456 0.07112 0.01832 0.02362 -0.03505 92 2S 0.19000 0.37551 -0.35438 0.09454 -0.12245 93 2PX 0.00510 -0.00020 -0.14679 0.08348 -0.00614 94 2PY 0.05119 -0.05693 0.28774 -0.02297 -0.08467 95 2PZ 0.01847 -0.11064 0.24074 -0.04676 -0.04638 96 3S -0.90808 -2.33533 0.42355 -0.75110 1.26336 97 3PX -0.26371 -0.25756 0.18538 -0.21690 0.50601 98 3PY -0.55978 1.46987 -1.56149 0.53338 0.18249 99 3PZ -0.45169 -0.39812 -0.19827 -0.31371 0.20390 100 4XX 0.02036 0.05569 0.20037 0.00606 0.01794 101 4YY -0.00887 -0.10185 -0.02393 -0.10985 -0.04005 102 4ZZ -0.01401 0.07236 -0.11738 0.08823 0.00265 103 4XY 0.11623 -0.00359 0.02241 0.07670 -0.13613 104 4XZ -0.19635 0.05042 0.00877 -0.15633 0.31545 105 4YZ -0.01028 0.06416 0.13241 0.11593 -0.05406 106 8 C 1S 0.00303 0.01598 -0.01548 -0.00463 0.00820 107 2S -0.11528 0.39587 -0.47591 -0.07726 0.35170 108 2PX -0.02751 0.14082 -0.09169 -0.03694 0.03814 109 2PY 0.01867 0.04847 -0.09392 0.04612 -0.03697 110 2PZ -0.00505 0.06153 -0.12185 0.07344 0.05915 111 3S 0.01443 -0.28489 0.35584 0.32482 -0.63562 112 3PX 0.19675 0.03791 -0.50714 0.53103 -0.14367 113 3PY -0.16382 0.30673 0.25318 -0.21188 0.08602 114 3PZ -0.25366 0.09317 1.06295 -0.52993 -0.29970 115 4XX -0.26262 0.12962 0.26602 0.11633 -0.07535 116 4YY 0.08330 -0.03358 -0.03836 0.09608 0.07793 117 4ZZ 0.20576 -0.13820 -0.18944 -0.20766 -0.05649 118 4XY 0.06375 0.27861 0.09005 -0.09163 -0.18779 119 4XZ 0.07284 0.13292 0.03976 0.08685 -0.01225 120 4YZ 0.01670 -0.27969 0.01574 0.27224 0.20953 121 9 C 1S 0.01249 -0.01792 0.00769 -0.00249 -0.00996 122 2S 0.15633 -0.50524 0.41726 0.05319 -0.22106 123 2PX 0.06799 -0.11610 0.09959 0.05502 -0.03777 124 2PY -0.00007 -0.06212 0.08153 0.03150 -0.01289 125 2PZ 0.02089 -0.01671 0.15166 -0.03363 -0.04948 126 3S -0.30034 0.61460 -0.04180 0.04847 0.57350 127 3PX -0.00295 0.10355 0.61902 -0.28773 -0.03286 128 3PY -0.05225 0.32202 -0.31045 0.23940 0.21340 129 3PZ -0.10935 -0.09132 -0.75377 0.81102 0.18190 130 4XX -0.09828 -0.07889 0.02484 0.37592 0.23482 131 4YY 0.17201 -0.15840 -0.01385 0.03996 0.01080 132 4ZZ -0.07061 0.28192 -0.05896 -0.43911 -0.20530 133 4XY -0.22788 0.22700 0.10342 0.05965 -0.00595 134 4XZ 0.09661 0.13084 0.03316 0.16060 -0.10186 135 4YZ 0.17215 -0.15961 -0.07989 -0.03247 0.19693 136 10 H 1S -0.13040 -0.00144 -0.06525 0.35310 -0.04985 137 2S 0.01124 -0.02690 -0.28599 0.19859 0.06563 138 11 H 1S 0.23000 -0.06589 0.17514 -0.13118 -0.13081 139 2S -0.01009 0.04868 0.26862 -0.22402 -0.06175 140 12 H 1S 0.24007 0.11585 -0.31214 0.03434 0.02480 141 2S 0.04828 -0.05043 -0.29889 0.23754 0.05875 142 13 H 1S -0.21318 0.19127 0.28420 -0.04069 0.03258 143 2S -0.08018 0.02901 0.28163 -0.24145 -0.04474 144 14 H 1S 0.17913 0.03185 0.31999 0.08322 -0.17436 145 2S 0.24969 -0.41088 0.37921 -0.24582 -0.03333 146 15 C 1S -0.00010 -0.00438 0.00346 -0.01036 -0.00997 147 2S 0.06859 0.14072 0.03491 -0.24266 -0.13769 148 2PX 0.01396 -0.13905 0.03864 0.01223 0.00675 149 2PY -0.02867 -0.07978 0.01485 0.02277 0.03430 150 2PZ 0.01876 0.08599 -0.00713 0.06933 -0.00749 151 3S -0.42758 0.73390 -0.99425 0.70919 0.69241 152 3PX -0.09553 -0.62477 0.30546 -0.01771 -0.12960 153 3PY 0.79046 0.75856 0.53720 -0.45363 -0.07237 154 3PZ -0.44869 -0.27755 -0.05654 0.19292 0.24303 155 4XX -0.08219 -0.12153 -0.17014 0.10287 0.00857 156 4YY 0.02299 0.04800 0.09468 -0.08333 0.05874 157 4ZZ 0.02922 0.04071 0.04617 0.00480 -0.08464 158 4XY 0.01832 0.06257 0.01005 0.00999 0.05621 159 4XZ 0.08739 0.04030 -0.02870 0.23420 0.08577 160 4YZ 0.07535 0.05157 0.06808 0.00601 -0.05614 161 16 O 1S -0.02064 -0.00891 -0.00210 -0.00332 -0.00326 162 2S -0.29602 -0.08571 -0.02340 -0.00924 0.02151 163 2PX -0.01159 -0.04290 -0.04965 -0.03344 -0.02685 164 2PY -0.02196 0.01130 0.09320 -0.08042 -0.01009 165 2PZ -0.01372 0.02763 -0.00830 0.07469 0.02560 166 3S 1.43639 0.57195 0.11782 0.14762 -0.04474 167 3PX -0.29108 -0.07231 0.07309 0.17215 0.15491 168 3PY -0.07533 0.10785 -0.01842 -0.30963 -0.15912 169 3PZ -0.02904 -0.23137 -0.13796 -0.04239 -0.02161 170 4XX -0.07476 -0.18593 -0.13259 -0.20158 -0.06827 171 4YY -0.10222 -0.07050 0.19314 0.09498 0.04246 172 4ZZ 0.03704 0.20654 -0.07470 0.09360 0.00529 173 4XY -0.05268 0.04644 -0.10486 -0.01328 -0.02471 174 4XZ -0.13227 0.06402 0.09262 0.12536 0.09495 175 4YZ 0.06503 -0.03356 0.18582 0.04269 -0.01703 176 17 C 1S 0.00059 0.00257 -0.01622 0.00111 -0.01053 177 2S 0.06215 -0.09726 -0.06611 0.14572 -0.03479 178 2PX -0.00809 0.08138 -0.16471 -0.12244 -0.10088 179 2PY 0.03532 0.04904 0.03060 0.01724 0.02420 180 2PZ -0.02534 0.02993 0.05182 0.00862 -0.01216 181 3S 0.04457 -0.53832 1.42364 -0.09413 0.53197 182 3PX 0.14728 0.42334 -0.68550 -0.06575 -0.41216 183 3PY -1.08232 -0.07334 0.06577 -0.76165 -0.28711 184 3PZ 0.44594 0.16894 -0.09956 0.44375 -0.09966 185 4XX -0.05251 -0.06945 0.02345 -0.12604 -0.04420 186 4YY -0.02796 0.02571 0.06335 -0.05004 -0.03161 187 4ZZ 0.06123 0.05580 -0.10250 0.14224 0.06981 188 4XY -0.00932 0.05327 0.12748 -0.16032 0.01039 189 4XZ 0.09174 0.03425 0.14944 0.06476 0.07191 190 4YZ 0.01368 0.04261 0.08671 0.04054 0.08653 191 18 O 1S 0.01234 0.00280 0.00144 0.00430 0.00021 192 2S 0.23607 0.09365 0.07538 0.11019 0.08053 193 2PX 0.00383 0.00306 -0.05621 -0.01912 -0.05102 194 2PY -0.03632 0.03071 0.04373 -0.04555 0.00499 195 2PZ -0.03248 -0.02587 0.00949 0.04318 -0.01924 196 3S -1.03092 -0.25704 -0.17471 -0.58480 -0.19234 197 3PX 0.15096 -0.01578 0.18607 0.18827 0.17941 198 3PY -0.03933 -0.08105 -0.08123 -0.01305 0.02738 199 3PZ 0.24264 0.05220 -0.04684 0.02031 0.03682 200 4XX 0.05972 -0.01082 -0.01642 -0.08337 -0.06562 201 4YY 0.07278 -0.04069 -0.12861 0.01032 0.02331 202 4ZZ -0.03262 0.09660 0.18333 0.08173 0.06510 203 4XY -0.01773 -0.01108 0.09944 0.14564 0.09831 204 4XZ -0.04725 -0.01562 -0.05240 -0.01496 -0.04887 205 4YZ -0.09462 -0.01903 -0.10094 -0.16565 -0.10586 206 19 O 1S 0.00879 0.01024 0.00070 -0.00066 0.00094 207 2S 0.14209 0.19264 0.01639 0.06222 0.01056 208 2PX 0.01191 -0.03445 0.00689 -0.00788 -0.00931 209 2PY -0.00916 0.02101 0.04080 -0.07361 0.04012 210 2PZ -0.05261 0.00012 -0.01047 0.03944 0.02340 211 3S -0.63891 -0.89949 -0.16678 0.01294 -0.14598 212 3PX 0.03080 0.18781 -0.02211 0.02034 0.02424 213 3PY 0.14974 0.20002 0.00075 0.06604 0.03920 214 3PZ 0.13981 -0.02606 0.00549 -0.10673 -0.10108 215 4XX 0.05656 0.07362 -0.03334 -0.01197 -0.03509 216 4YY 0.04688 0.12177 0.04489 0.03301 0.02762 217 4ZZ -0.02983 -0.12433 -0.02912 0.01900 -0.00917 218 4XY -0.04112 -0.17314 -0.06518 -0.03992 0.03264 219 4XZ -0.07803 0.02958 -0.01038 -0.08903 -0.03373 220 4YZ -0.06608 0.13220 0.02346 0.17047 0.07184 221 20 H 1S 0.25032 -0.06999 0.10076 0.31085 -0.15594 222 2S 0.15347 -0.33695 0.32585 0.15602 -0.12818 223 21 H 1S 0.10576 0.40762 -0.01100 -0.12743 0.18968 224 2S -0.02298 0.43093 -0.30110 -0.07533 0.01376 225 22 H 1S 0.08403 0.22535 -0.15905 0.06161 0.06024 226 2S -0.03006 0.14089 -0.40663 -0.07975 0.04186 227 23 H 1S 0.05260 -0.12644 0.20573 -0.16669 -0.05783 228 2S 0.20829 -0.51479 0.79887 -0.16014 -0.02394 229 24 H 1S 0.24549 0.10999 0.07679 -0.26121 0.46580 230 2S 0.01997 -0.05662 -0.04247 -0.06750 -0.07552 231 25 H 1S 0.25821 -0.17932 -0.06986 0.12153 -0.37862 232 2S 0.03714 -0.06053 -0.06633 -0.01006 0.06186 233 26 H 1S -0.28165 0.09158 -0.11439 0.06039 -0.13161 234 2S 0.08126 0.01358 -0.00800 0.02373 0.03667 186 187 188 189 190 V V V V V Eigenvalues -- 2.20306 2.24157 2.25920 2.28329 2.30200 1 1 C 1S -0.01462 -0.00529 0.01108 -0.00335 0.00330 2 2S -0.23706 -0.02394 0.13403 0.01629 0.00451 3 2PX -0.03761 0.01224 -0.00252 0.00694 0.00060 4 2PY 0.01762 -0.01005 0.01601 -0.01578 0.00209 5 2PZ 0.00594 -0.00322 -0.00521 -0.01092 0.01588 6 3S 0.51157 0.29801 -0.51426 0.28996 0.05580 7 3PX -0.11448 0.06049 -0.08220 -0.05515 -0.00789 8 3PY -0.22535 -0.27858 0.27170 -0.17807 -0.15917 9 3PZ -0.33501 0.14094 0.02305 -0.07919 0.14395 10 4XX 0.26311 -0.27100 0.16498 -0.07527 -0.37447 11 4YY 0.15798 0.16271 0.00679 0.05850 -0.24184 12 4ZZ -0.41507 0.09014 -0.17392 -0.00079 0.62346 13 4XY -0.31051 0.03322 0.16657 -0.00435 -0.03952 14 4XZ 0.08359 0.01304 0.05648 0.04783 -0.01044 15 4YZ 0.30819 -0.07754 -0.06206 0.06762 0.01774 16 2 C 1S 0.01758 0.00443 -0.02323 -0.02108 -0.00222 17 2S 0.12925 0.07858 -0.07348 -0.28026 -0.12031 18 2PX 0.00821 0.02322 0.00494 -0.06153 0.02131 19 2PY -0.22921 -0.04956 -0.01160 -0.05752 -0.12108 20 2PZ -0.10048 -0.05716 0.04538 0.02239 0.08576 21 3S -0.76805 0.02165 1.04765 1.29300 1.06859 22 3PX -0.10076 0.09355 0.13848 0.36890 0.24505 23 3PY 0.60821 -0.26579 0.01369 -0.76377 -0.77091 24 3PZ -0.69119 -0.24468 0.07754 -0.47853 0.28124 25 4XX -0.03404 0.22872 -0.11147 -0.02913 -0.02170 26 4YY -0.07813 0.07734 0.06933 0.02702 -0.00790 27 4ZZ 0.10102 -0.24808 0.02623 0.03205 0.15100 28 4XY 0.05911 0.10617 0.07937 -0.02265 0.02619 29 4XZ -0.04748 -0.03170 -0.07677 0.07164 -0.10596 30 4YZ 0.08749 0.10612 -0.07586 -0.02492 0.00291 31 3 C 1S 0.00154 0.00485 0.00414 0.00078 0.01524 32 2S -0.08286 0.01474 0.12202 -0.02006 0.17562 33 2PX -0.02565 -0.02666 0.06371 -0.01713 0.01744 34 2PY 0.04208 0.13117 -0.10692 -0.07763 -0.06715 35 2PZ -0.03474 0.03285 -0.02179 0.03982 -0.02480 36 3S 1.09801 0.21567 -0.42338 -0.59244 -1.05683 37 3PX 0.04261 0.15434 0.01414 -0.09948 0.29237 38 3PY 0.52508 -0.47091 -0.13614 -0.42822 -0.74346 39 3PZ -0.18355 0.19540 0.29411 0.32763 0.05763 40 4XX 0.14077 -0.12025 -0.11640 -0.16670 0.18088 41 4YY -0.09343 0.05050 -0.15447 0.00815 -0.26169 42 4ZZ 0.01739 0.05621 0.24647 0.13497 0.10419 43 4XY -0.04940 -0.10782 -0.05129 0.12067 -0.03170 44 4XZ -0.14831 -0.12055 -0.09391 0.19843 -0.21380 45 4YZ 0.04739 0.23497 -0.09864 0.13262 0.12729 46 4 C 1S 0.02054 0.04736 0.01746 0.02876 0.01922 47 2S 0.26983 -0.12688 0.07833 -0.08607 0.13076 48 2PX -0.00569 -0.03952 -0.02945 0.00404 0.02738 49 2PY 0.04226 -0.12123 0.01822 -0.03478 0.01987 50 2PZ -0.04206 0.09531 0.09045 0.10881 0.03101 51 3S -0.86423 -1.34625 -0.66674 -0.44080 -0.65113 52 3PX -0.09746 -0.37442 -0.35677 0.35761 -0.07416 53 3PY -0.60048 -0.24436 -0.18921 -0.00703 -0.29895 54 3PZ 0.56666 -0.21459 0.13555 -0.07608 0.10573 55 4XX -0.10605 0.04908 0.14319 -0.02171 0.06744 56 4YY -0.01281 -0.14103 -0.05414 0.10904 0.03844 57 4ZZ 0.09643 0.16934 -0.08250 -0.04713 -0.14222 58 4XY -0.22465 -0.18590 -0.28791 0.32533 -0.25242 59 4XZ -0.01498 -0.04356 0.02816 -0.02825 -0.02426 60 4YZ 0.00633 0.29297 -0.08954 0.08627 -0.14668 61 5 C 1S -0.02802 -0.06074 -0.02750 0.01976 -0.01700 62 2S 0.00626 -0.41857 -0.23426 -0.33660 0.17770 63 2PX 0.01792 0.07259 -0.11736 -0.01012 -0.04938 64 2PY -0.03088 0.06170 -0.00590 -0.06630 0.00429 65 2PZ 0.13681 -0.02893 -0.09109 -0.09015 0.05094 66 3S 0.91167 2.71920 0.59693 -0.30179 -0.03585 67 3PX -0.11375 -0.50272 -0.12372 -0.46966 0.26309 68 3PY 0.07131 1.09773 0.09710 0.29340 -0.39521 69 3PZ -0.00575 0.75497 0.95683 0.13165 0.30714 70 4XX 0.02612 0.18407 0.25342 0.26875 0.23098 71 4YY -0.11010 -0.09063 -0.11921 0.15761 -0.24558 72 4ZZ 0.05830 -0.09163 -0.15526 -0.32249 -0.09777 73 4XY -0.06472 -0.20277 0.10274 0.00722 0.02631 74 4XZ -0.00512 -0.17673 0.07818 -0.09139 -0.03658 75 4YZ -0.14048 -0.12771 -0.12625 -0.16021 -0.03007 76 6 C 1S -0.02854 0.03304 -0.02437 0.03395 -0.05531 77 2S -0.51696 0.29601 0.07964 0.25325 -0.12680 78 2PX 0.04982 -0.08437 0.05999 0.01375 -0.03120 79 2PY 0.06792 0.07241 0.12174 0.08358 0.02277 80 2PZ -0.08603 0.00260 0.07863 0.03836 0.06777 81 3S 1.27607 -1.77176 0.95536 -0.84924 1.91477 82 3PX 0.41119 0.28455 0.36608 -0.05424 -0.19143 83 3PY 0.61030 0.61459 -0.07578 -0.49902 -0.14122 84 3PZ 0.92593 -1.06858 -0.22104 -0.54603 0.36638 85 4XX 0.18174 -0.06963 -0.29007 -0.09183 0.17250 86 4YY 0.02386 -0.04617 -0.06513 0.06767 -0.12648 87 4ZZ -0.13392 0.09816 0.32185 0.03687 -0.13177 88 4XY 0.10882 0.04428 -0.00900 -0.16213 0.18576 89 4XZ -0.07489 0.21937 -0.11658 -0.07555 -0.17333 90 4YZ 0.09843 0.21604 0.26482 -0.12321 -0.09143 91 7 C 1S 0.03192 -0.03246 -0.00495 0.01170 0.02087 92 2S 0.04431 0.29516 0.16386 0.22504 0.10448 93 2PX -0.05525 0.09072 0.02032 0.04408 -0.01597 94 2PY 0.10284 -0.12577 -0.08408 -0.05595 -0.01523 95 2PZ 0.06933 0.01413 -0.04699 -0.04190 -0.02417 96 3S -1.05245 0.41688 -0.13562 -0.61013 -0.84105 97 3PX -0.00293 0.13229 -0.17273 0.22548 -0.43835 98 3PY -0.41506 0.19366 0.08702 0.50401 0.88272 99 3PZ -0.60889 0.02617 -0.19928 -0.34982 0.22000 100 4XX -0.10891 -0.02971 -0.19871 0.04788 -0.16976 101 4YY 0.09786 0.21118 0.13763 -0.09254 0.00822 102 4ZZ 0.02336 -0.28714 0.02102 -0.00955 0.12262 103 4XY 0.05231 -0.07804 0.02566 -0.20113 0.12830 104 4XZ -0.13599 -0.02851 -0.13322 0.13557 -0.13421 105 4YZ 0.32135 -0.06351 0.04452 0.13636 -0.17851 106 8 C 1S -0.00097 -0.00375 0.00450 -0.00654 -0.01052 107 2S -0.19926 -0.05384 -0.03687 0.05824 0.06315 108 2PX -0.02814 0.00255 -0.00662 0.04557 0.06449 109 2PY 0.01794 0.04542 0.05702 0.01657 0.06115 110 2PZ -0.04522 -0.00025 -0.01944 0.03272 0.01816 111 3S -0.01271 0.20560 -0.13717 0.33312 0.21705 112 3PX 0.04551 -0.05229 -0.02887 0.08129 0.21690 113 3PY 0.19120 -0.18248 -0.04877 0.04521 0.04414 114 3PZ 0.09773 -0.15872 0.03535 -0.01529 0.09116 115 4XX -0.27005 -0.06253 -0.01002 -0.02116 0.20673 116 4YY 0.22582 0.05407 0.05224 -0.17099 0.01667 117 4ZZ 0.05490 0.01670 -0.02597 0.18527 -0.27814 118 4XY 0.03818 0.01653 -0.22548 -0.00523 0.03686 119 4XZ 0.18796 -0.26271 0.03596 0.12078 0.06239 120 4YZ 0.22009 -0.11634 0.05298 0.17507 -0.07774 121 9 C 1S -0.01142 0.00242 -0.00529 -0.01559 -0.01651 122 2S -0.16543 -0.06908 -0.18102 0.16612 -0.17681 123 2PX 0.05926 -0.00232 -0.00223 0.03557 0.03308 124 2PY -0.05754 -0.02475 -0.03584 0.09959 -0.03708 125 2PZ 0.03419 -0.00641 0.00047 -0.00288 0.02012 126 3S 0.63739 -0.05770 0.31088 0.12353 0.47583 127 3PX 0.20168 0.13888 0.08542 0.11458 0.12561 128 3PY 0.28054 0.12017 0.11656 -0.01601 0.15276 129 3PZ -0.10271 0.24683 -0.02351 0.22435 0.09522 130 4XX -0.08813 -0.03654 0.17059 0.00745 0.21905 131 4YY 0.21057 0.05775 0.02299 -0.05710 -0.07493 132 4ZZ -0.10804 -0.01874 -0.18287 -0.03259 -0.15410 133 4XY -0.10682 0.21867 -0.21044 0.07625 -0.00409 134 4XZ 0.09870 0.19674 0.04510 0.28145 0.03317 135 4YZ 0.17213 -0.03715 -0.04863 0.07590 -0.08567 136 10 H 1S -0.15395 0.10386 0.02495 0.03950 0.06784 137 2S 0.03941 0.05878 -0.01781 0.03838 -0.01129 138 11 H 1S 0.12968 0.05017 0.02967 0.10215 -0.07744 139 2S -0.01226 -0.03633 -0.05522 -0.04098 -0.01670 140 12 H 1S 0.15621 -0.04628 -0.05087 0.00643 -0.04802 141 2S -0.08796 0.02223 0.01821 0.02198 0.02935 142 13 H 1S -0.04083 -0.06378 0.03358 -0.13886 0.15546 143 2S 0.02621 -0.06808 -0.00969 -0.00240 -0.00897 144 14 H 1S 0.23764 -0.22947 -0.03644 0.00279 -0.13164 145 2S 0.01204 0.00500 -0.09027 -0.16442 -0.17485 146 15 C 1S 0.02086 -0.01173 0.03446 0.00398 0.01870 147 2S 0.02274 -0.14355 0.55762 0.22800 0.11251 148 2PX 0.13550 0.08395 -0.00766 -0.14146 0.01319 149 2PY 0.05594 0.08575 -0.19256 -0.11152 0.05449 150 2PZ 0.00478 -0.04092 -0.01195 -0.11569 0.01507 151 3S -1.05436 0.47157 -1.19134 -0.14580 -0.85953 152 3PX 0.74797 0.33168 0.21538 -0.51613 0.27289 153 3PY 0.12658 -1.10437 1.24044 0.50096 0.30434 154 3PZ 0.10373 0.43739 -0.14412 -0.64276 -0.07459 155 4XX 0.13032 0.18195 -0.17365 0.25787 0.05597 156 4YY -0.02022 0.04203 -0.12816 -0.09159 0.04682 157 4ZZ -0.06409 -0.19527 0.26608 -0.21799 -0.09799 158 4XY -0.12480 0.03263 -0.03446 0.04491 -0.03765 159 4XZ -0.13890 -0.01511 -0.21496 -0.30720 -0.22827 160 4YZ -0.02210 -0.08973 0.01549 -0.01557 0.01824 161 16 O 1S -0.00141 0.00313 0.00735 -0.01782 -0.00690 162 2S 0.00093 0.02054 0.10638 -0.31514 0.00748 163 2PX 0.02431 0.01414 -0.02777 0.01945 0.00067 164 2PY -0.03344 -0.01461 0.09525 0.02583 -0.02198 165 2PZ -0.02327 0.00357 -0.01258 -0.08244 -0.02627 166 3S 0.17843 -0.06439 -0.28119 1.03191 0.09276 167 3PX -0.16780 0.04178 0.00098 -0.34050 -0.20945 168 3PY -0.16530 -0.40727 0.23545 0.21659 0.16731 169 3PZ 0.20716 0.19067 -0.22957 0.19793 0.08040 170 4XX 0.13450 0.04332 -0.05087 0.13039 0.11727 171 4YY -0.08185 0.10856 0.08137 0.00705 -0.10904 172 4ZZ -0.04392 -0.12892 0.02085 -0.24900 -0.01162 173 4XY -0.04391 -0.05318 -0.01408 -0.06068 -0.01385 174 4XZ -0.14942 -0.04990 0.03733 -0.20834 -0.12786 175 4YZ 0.05990 0.18614 0.18200 -0.07271 -0.12185 176 17 C 1S 0.02421 0.02634 -0.01688 -0.02576 0.01086 177 2S 0.21660 0.25816 -0.36663 -0.36867 0.01827 178 2PX -0.00280 -0.05843 0.14250 0.00643 0.07307 179 2PY 0.02632 0.07677 0.00816 -0.13411 -0.01851 180 2PZ -0.02700 -0.00174 0.18336 0.06114 0.02993 181 3S -0.75822 -1.17787 0.33497 0.63226 -0.38900 182 3PX 0.33700 0.56547 0.00612 -0.45650 0.23820 183 3PY -0.39492 -0.99359 0.99416 0.08459 0.34573 184 3PZ 0.18605 0.61186 -0.38021 -0.54740 -0.13188 185 4XX 0.02768 -0.21308 -0.16598 0.25530 0.24311 186 4YY -0.07065 0.02281 0.17855 -0.11011 -0.17633 187 4ZZ 0.08425 0.17874 0.03452 -0.14972 -0.03405 188 4XY -0.11100 -0.05076 0.14847 0.10094 -0.06077 189 4XZ -0.23226 -0.10214 0.24634 0.06389 -0.18706 190 4YZ -0.00182 0.13332 -0.01666 -0.27001 -0.17932 191 18 O 1S 0.00217 0.00641 -0.00044 -0.00273 -0.00061 192 2S 0.04244 0.19798 -0.20418 -0.12673 -0.09125 193 2PX 0.01455 -0.00843 0.03638 -0.00535 0.03045 194 2PY 0.00375 0.02475 -0.00695 -0.05956 -0.00661 195 2PZ -0.03457 -0.03898 0.06772 0.02930 0.00813 196 3S -0.15928 -0.72894 0.62348 0.34619 0.30946 197 3PX -0.05966 0.07658 -0.10834 0.05814 -0.15070 198 3PY 0.02948 -0.04097 -0.08038 0.13878 -0.00321 199 3PZ 0.07859 0.10739 -0.20033 -0.00320 -0.03059 200 4XX 0.02939 -0.06162 0.00337 -0.19639 0.01167 201 4YY 0.10285 0.07942 -0.27995 0.08960 -0.01699 202 4ZZ -0.10364 0.06115 0.23253 0.05372 -0.01187 203 4XY 0.02090 0.10786 0.05078 -0.05877 -0.03952 204 4XZ 0.06881 -0.03877 -0.05192 -0.01301 0.13232 205 4YZ 0.04440 -0.13693 -0.00846 0.09812 0.16751 206 19 O 1S 0.00011 -0.00548 0.00331 -0.00097 0.00164 207 2S -0.03933 -0.23335 0.21595 0.11065 -0.06189 208 2PX 0.05658 0.02856 0.02424 -0.02691 0.02400 209 2PY -0.01610 0.04680 -0.06291 -0.04544 0.03620 210 2PZ -0.00604 0.00906 -0.01886 -0.05716 -0.01319 211 3S 0.17886 0.83900 -0.69116 -0.33141 0.08030 212 3PX -0.21954 -0.17221 -0.06907 0.12360 -0.09167 213 3PY -0.04641 -0.17113 0.11646 0.07053 -0.06045 214 3PZ 0.01821 -0.03981 0.06956 0.26131 0.02260 215 4XX -0.05272 -0.01289 0.12015 -0.10375 -0.05761 216 4YY -0.04956 -0.13396 0.04023 -0.00288 -0.02302 217 4ZZ 0.11090 0.07416 -0.09553 0.12625 0.07203 218 4XY 0.12616 0.23701 0.05861 -0.00073 0.06535 219 4XZ 0.02388 -0.03547 0.04179 0.10956 0.06555 220 4YZ -0.03884 -0.02515 -0.15542 -0.28302 0.02991 221 20 H 1S 0.15604 -0.11169 -0.32717 -0.05120 -0.04578 222 2S 0.15839 -0.21021 -0.04047 -0.20811 0.00752 223 21 H 1S 0.02014 0.10077 0.26381 0.21062 0.06844 224 2S -0.04984 0.26229 0.19210 0.02151 -0.07185 225 22 H 1S -0.09980 0.27294 -0.03275 0.07764 -0.10441 226 2S -0.17593 -0.00210 0.01501 -0.00015 -0.10138 227 23 H 1S -0.01405 -0.06338 -0.20099 -0.09490 0.03850 228 2S 0.00731 -0.14867 -0.00464 -0.07075 0.00109 229 24 H 1S 0.05601 0.01587 -0.10586 0.03486 0.21646 230 2S -0.00692 0.05837 0.03677 0.02443 -0.00088 231 25 H 1S -0.34374 0.13920 -0.03018 -0.00089 0.21664 232 2S 0.00370 0.00677 0.01219 0.01277 -0.05754 233 26 H 1S 0.32915 -0.15187 0.15195 -0.00215 -0.41230 234 2S -0.04527 -0.04259 0.01212 0.02228 0.10979 191 192 193 194 195 V V V V V Eigenvalues -- 2.32857 2.35869 2.38025 2.39625 2.41595 1 1 C 1S 0.00229 0.02327 0.03895 0.00562 -0.00431 2 2S -0.00960 0.09912 0.21708 0.10662 -0.01517 3 2PX -0.03567 -0.00396 -0.03396 -0.00143 -0.00779 4 2PY 0.00326 0.10502 0.12347 0.01193 -0.01801 5 2PZ 0.01667 0.05676 0.06269 -0.02499 -0.01472 6 3S -0.12742 -1.44016 -1.75800 -0.45212 0.19934 7 3PX -0.10436 -0.00375 -0.24606 0.03265 -0.04801 8 3PY 0.01823 0.55064 0.62643 0.07796 0.00728 9 3PZ 0.16398 0.42059 0.68348 0.03890 -0.27214 10 4XX 0.16335 0.20854 0.41439 -0.03040 0.12575 11 4YY -0.20763 -0.01032 -0.18934 -0.04158 -0.05669 12 4ZZ 0.05064 -0.17185 -0.19364 0.06091 -0.07244 13 4XY -0.47499 0.22390 0.05739 -0.07849 -0.23788 14 4XZ 0.08050 -0.06381 0.18990 -0.07858 0.01765 15 4YZ -0.10894 -0.31158 -0.44010 0.06006 0.09555 16 2 C 1S 0.00932 -0.00896 -0.03349 -0.02407 -0.00062 17 2S 0.21563 0.23573 0.16655 0.05947 -0.25386 18 2PX -0.03552 0.02255 -0.08900 0.04732 -0.00016 19 2PY -0.01816 0.13415 0.25065 -0.13618 0.06768 20 2PZ -0.00701 -0.00959 0.02117 -0.11787 0.06172 21 3S -0.25886 -1.84746 -0.82284 0.42070 -0.23039 22 3PX -0.06818 -0.59309 -0.45863 0.00592 0.13021 23 3PY 0.49924 2.38682 2.45266 -0.17583 -0.66879 24 3PZ -0.15196 0.69199 -0.00322 0.72413 0.73751 25 4XX 0.15861 -0.02409 -0.30328 -0.08362 -0.01069 26 4YY -0.04798 -0.03970 0.03073 -0.07822 0.14031 27 4ZZ -0.10355 -0.02886 0.13004 0.12179 -0.11827 28 4XY -0.02930 -0.21689 0.06596 -0.20969 -0.03155 29 4XZ -0.37342 0.18767 -0.23212 0.06426 -0.27421 30 4YZ 0.02200 0.14624 0.13574 -0.09119 -0.19451 31 3 C 1S -0.00870 -0.04837 -0.06144 0.01528 0.01944 32 2S 0.04631 -0.45127 -0.46189 0.15928 -0.15301 33 2PX -0.01155 -0.04766 -0.00034 -0.01252 0.02699 34 2PY 0.07090 0.00727 0.01060 -0.14510 -0.02113 35 2PZ -0.03236 0.00509 -0.04199 -0.05743 0.13765 36 3S 0.52059 3.70304 3.71109 -0.21248 -0.71822 37 3PX -0.08932 -0.04465 -0.10036 0.04747 0.17764 38 3PY 0.12693 0.65151 0.87704 -0.63316 -0.30828 39 3PZ -0.04547 -1.97670 -1.61802 -0.33887 -0.03916 40 4XX -0.20147 -0.18039 -0.42012 0.15628 0.06435 41 4YY 0.04673 -0.08866 0.10560 -0.07946 0.07993 42 4ZZ 0.13919 0.29499 0.33262 -0.07995 -0.10224 43 4XY 0.17133 -0.39193 0.01840 0.01394 0.05769 44 4XZ 0.15054 -0.05960 -0.01431 0.18437 -0.10024 45 4YZ 0.10585 -0.05353 -0.16184 0.19416 -0.15761 46 4 C 1S 0.01904 0.06676 0.02915 0.02639 -0.01314 47 2S -0.03039 0.73909 0.45737 0.35905 0.06984 48 2PX 0.06809 0.06646 -0.06392 -0.12613 0.02472 49 2PY -0.04226 0.03217 0.01356 0.04778 0.05562 50 2PZ 0.00111 -0.11809 -0.10706 0.02415 0.03276 51 3S -0.57328 -3.38141 -1.80335 -1.45092 0.12704 52 3PX 0.36025 0.47296 0.11100 0.19431 0.15791 53 3PY 0.12956 -1.37869 -1.28540 -0.95413 0.17823 54 3PZ 0.21724 0.72934 0.26963 0.02688 -0.26291 55 4XX -0.10797 -0.12685 -0.09596 -0.28616 0.24220 56 4YY 0.05773 -0.01078 -0.11161 0.35517 -0.16863 57 4ZZ 0.06958 0.03588 0.10430 -0.11917 -0.08960 58 4XY 0.14765 0.06050 -0.19671 -0.05884 -0.03231 59 4XZ -0.00310 -0.18094 0.07762 0.21454 -0.15428 60 4YZ 0.00383 -0.06390 -0.17880 -0.24221 0.28272 61 5 C 1S 0.01897 0.04515 -0.04830 -0.06411 0.01054 62 2S -0.13691 0.56641 -0.31022 -0.29396 0.22702 63 2PX 0.00335 -0.17991 -0.00347 -0.05966 0.00091 64 2PY -0.12804 -0.02332 -0.00315 -0.04502 0.12703 65 2PZ 0.01775 0.02263 0.09154 0.06403 -0.04038 66 3S -0.61926 -1.45101 2.40721 2.11498 -0.45199 67 3PX 0.27105 -0.06627 -0.64700 -0.21796 -0.11856 68 3PY -0.70123 -0.85398 0.86014 0.87745 0.02923 69 3PZ 0.24651 0.30757 -0.34651 0.35346 -0.51931 70 4XX 0.12951 -0.06905 -0.02269 0.06773 -0.09147 71 4YY -0.14440 -0.09804 0.05179 -0.05480 0.06466 72 4ZZ 0.08632 0.09015 -0.03233 -0.06758 -0.01999 73 4XY 0.03286 0.10602 -0.17011 0.14416 -0.10158 74 4XZ -0.01662 -0.17495 -0.13827 0.13438 0.02966 75 4YZ 0.22441 -0.13953 0.11017 -0.30129 0.12994 76 6 C 1S -0.06733 -0.04515 0.02857 0.01590 0.03984 77 2S -0.07997 -0.62157 0.32526 0.07547 0.31780 78 2PX -0.01622 0.13383 -0.12137 -0.06902 0.09840 79 2PY 0.00566 0.03646 -0.02504 0.08270 -0.10153 80 2PZ 0.08230 -0.03548 -0.02481 -0.04206 0.02858 81 3S 2.00044 1.59202 -1.82418 -0.84707 -1.32652 82 3PX 0.33409 0.15246 -0.21483 -0.06573 0.07689 83 3PY -0.30567 -0.86131 0.82851 0.61630 0.16926 84 3PZ 0.89335 0.55102 -0.18686 -0.34056 -0.68678 85 4XX 0.02802 -0.06964 0.17160 0.09657 -0.06777 86 4YY 0.24150 -0.04199 -0.05388 -0.09335 -0.15606 87 4ZZ -0.38290 0.19132 -0.19178 -0.00150 0.20902 88 4XY -0.01157 0.14156 -0.10880 -0.00689 0.07829 89 4XZ 0.08012 -0.06809 -0.10490 -0.01121 -0.05585 90 4YZ -0.01025 -0.16143 0.02520 0.05648 -0.05283 91 7 C 1S -0.00853 -0.03206 0.03522 0.00471 -0.04586 92 2S 0.24505 -0.40321 0.14855 -0.21637 -0.48436 93 2PX -0.10424 -0.06012 0.04846 0.03031 0.04620 94 2PY -0.08214 0.06418 0.05633 0.01953 0.02701 95 2PZ 0.07858 0.06548 0.03076 -0.09965 -0.06184 96 3S -0.22407 1.88295 -0.98277 0.46339 2.20927 97 3PX -0.53747 0.04013 0.10851 0.00133 -0.11956 98 3PY 0.03076 -1.22532 -0.14223 0.17188 -0.76117 99 3PZ -0.36813 0.00534 -0.06694 0.52993 0.74646 100 4XX -0.21070 -0.00119 0.03057 -0.07994 0.26897 101 4YY 0.20302 0.13713 0.07371 0.30891 -0.30478 102 4ZZ -0.05882 -0.08877 -0.10262 -0.18232 0.09702 103 4XY 0.20127 0.15709 -0.12243 -0.13490 0.21727 104 4XZ -0.06982 -0.04570 0.00380 0.10847 -0.23795 105 4YZ -0.06962 -0.08828 -0.35116 -0.15822 0.12824 106 8 C 1S 0.02508 0.05463 -0.05708 -0.01275 0.04377 107 2S -0.07430 0.44436 -0.37655 -0.04827 0.02873 108 2PX -0.04981 -0.00905 0.02791 -0.00120 -0.11284 109 2PY 0.09238 0.02889 -0.00683 0.02452 -0.02722 110 2PZ -0.07152 -0.08032 0.04994 0.01050 -0.05855 111 3S -0.53522 -2.68270 1.67575 0.16377 -1.24753 112 3PX -0.33240 -1.11992 0.66642 0.47888 -0.04606 113 3PY -0.10758 0.53945 -0.28210 0.05403 -0.06748 114 3PZ -0.16790 -0.25625 0.35797 -0.43781 -0.74698 115 4XX 0.01698 -0.18901 0.04714 -0.33652 -0.12731 116 4YY -0.19450 0.02995 0.01243 -0.12691 -0.10548 117 4ZZ 0.25494 0.13035 -0.09605 0.42486 0.34615 118 4XY -0.06256 0.25346 0.05571 0.27889 0.09021 119 4XZ -0.26069 -0.21113 0.28943 0.17007 -0.08442 120 4YZ 0.05058 0.10505 -0.19681 -0.01144 -0.08837 121 9 C 1S -0.03477 -0.06549 0.03055 -0.01798 0.00033 122 2S -0.10392 -0.45479 0.36427 0.15531 -0.09599 123 2PX 0.00873 0.05747 0.13147 0.09245 -0.02747 124 2PY 0.07916 0.08393 -0.03921 0.03665 0.03350 125 2PZ -0.01222 0.09533 0.08339 0.04559 -0.06129 126 3S 0.90384 3.02715 -0.88988 0.35712 0.39268 127 3PX 0.44055 0.93052 -0.20583 -0.30372 -0.37204 128 3PY 0.28734 0.98582 -0.48814 0.26185 0.30959 129 3PZ 0.17565 -0.30353 0.19969 0.37855 0.39008 130 4XX -0.11826 -0.00649 0.07471 0.11481 0.27949 131 4YY 0.14496 0.22262 -0.24274 -0.17672 -0.05612 132 4ZZ -0.10019 -0.21350 0.12954 -0.03797 -0.16452 133 4XY 0.08286 0.33566 -0.03412 0.16741 0.12480 134 4XZ 0.31001 0.10905 0.00707 -0.14665 -0.21204 135 4YZ -0.13522 -0.11996 -0.00165 -0.32509 -0.51123 136 10 H 1S 0.05980 -0.11343 0.10437 0.27729 0.38321 137 2S -0.01111 -0.17707 -0.06266 0.02843 0.01618 138 11 H 1S 0.11003 -0.07050 0.00072 -0.30118 -0.38049 139 2S 0.01018 0.19534 -0.11750 -0.05883 -0.02118 140 12 H 1S -0.07566 0.13115 0.04470 0.35898 0.24657 141 2S -0.06567 -0.24772 0.02306 0.02838 0.09736 142 13 H 1S -0.13771 0.12732 -0.05923 -0.36249 -0.22593 143 2S 0.03202 0.12271 -0.02499 -0.03585 -0.03805 144 14 H 1S -0.10709 -0.01035 -0.09705 -0.24787 0.23421 145 2S -0.05142 0.23277 0.18365 0.03055 0.05679 146 15 C 1S 0.03522 0.00129 -0.01844 0.00871 -0.01916 147 2S 0.08764 0.01394 -0.17642 0.05138 0.05557 148 2PX 0.06627 -0.05150 -0.01656 0.01171 0.01161 149 2PY -0.00514 0.05480 0.02858 -0.04511 -0.05580 150 2PZ 0.07606 -0.02286 -0.01074 0.00300 -0.01418 151 3S -0.87500 -0.58316 0.58372 0.02274 0.63159 152 3PX 0.14314 -0.21947 -0.00281 0.28763 -0.18186 153 3PY 0.94284 0.50734 -0.70332 -0.24095 0.01211 154 3PZ -0.02365 -0.25477 0.00824 0.18460 0.01951 155 4XX -0.22047 -0.13363 0.20929 0.04803 0.18185 156 4YY -0.03192 0.04080 0.06032 -0.05721 0.00165 157 4ZZ 0.34373 0.04313 -0.25380 0.03766 -0.25985 158 4XY -0.09862 -0.01979 0.05388 0.04095 0.02145 159 4XZ -0.11145 0.01685 -0.02893 -0.05232 -0.01891 160 4YZ 0.08932 -0.05132 0.04993 0.02228 -0.05885 161 16 O 1S 0.00018 -0.00168 -0.00598 -0.01202 0.01216 162 2S 0.17013 -0.13737 -0.16422 0.16485 -0.09776 163 2PX -0.03613 0.02514 0.00693 -0.05755 0.03679 164 2PY 0.01929 -0.03878 0.01158 -0.01210 0.03965 165 2PZ 0.00291 -0.00016 -0.03576 -0.00944 0.00275 166 3S -0.35837 0.39590 0.55050 -0.21825 0.00356 167 3PX 0.01991 -0.18779 -0.09290 0.12799 0.01573 168 3PY 0.27024 0.35914 -0.33854 -0.19425 -0.14942 169 3PZ -0.20343 -0.07647 0.27690 0.05828 0.08234 170 4XX -0.06766 0.02780 0.03966 -0.09425 0.11041 171 4YY -0.05582 -0.16655 0.06256 0.12752 0.01521 172 4ZZ 0.13995 0.12763 -0.12658 -0.08445 -0.06438 173 4XY 0.05272 -0.00403 -0.04344 -0.03267 0.01636 174 4XZ 0.04477 -0.00531 -0.11588 0.01965 -0.05768 175 4YZ -0.06074 -0.18490 0.04330 0.05858 0.08832 176 17 C 1S -0.00047 -0.01180 0.00732 0.02744 -0.02347 177 2S -0.02128 0.01692 0.24277 -0.07682 -0.05697 178 2PX 0.05683 -0.04191 -0.09216 0.05419 -0.01062 179 2PY 0.01232 0.01383 -0.02803 0.00210 -0.04915 180 2PZ 0.01058 -0.05343 -0.02877 0.07835 0.02886 181 3S 0.06444 0.49001 -0.83634 -0.71637 0.44464 182 3PX 0.19806 -0.14395 0.16269 0.26727 -0.43211 183 3PY 0.83554 0.24022 -0.89350 -0.09989 -0.01113 184 3PZ -0.22044 -0.42840 0.19866 0.21101 -0.17871 185 4XX 0.04341 0.22775 -0.04797 -0.19990 0.00688 186 4YY 0.02011 -0.14169 -0.02343 0.03950 0.02602 187 4ZZ -0.05500 -0.08524 -0.01409 0.26306 -0.10247 188 4XY 0.02864 0.10764 -0.04290 -0.10020 0.01789 189 4XZ 0.03071 -0.00635 -0.03577 -0.03745 0.09958 190 4YZ -0.02808 -0.09155 -0.00034 0.14299 -0.10354 191 18 O 1S -0.00453 -0.00186 0.00203 -0.00574 0.00622 192 2S -0.09831 -0.00016 0.02019 0.03132 -0.11748 193 2PX 0.01620 -0.02378 0.01604 -0.00502 0.01343 194 2PY 0.01001 -0.00466 -0.02926 0.01401 -0.04473 195 2PZ 0.01987 -0.04182 -0.02031 0.00374 0.04424 196 3S 0.46235 0.17460 -0.23267 -0.01220 0.15576 197 3PX -0.15871 -0.00247 0.00357 -0.00468 0.05576 198 3PY -0.04872 0.06777 0.13238 -0.05162 0.07263 199 3PZ -0.10664 0.06568 0.10655 -0.06501 -0.03273 200 4XX 0.05159 -0.03024 -0.03253 -0.00743 -0.01596 201 4YY -0.11115 0.04455 0.13212 -0.11168 0.03325 202 4ZZ 0.02135 -0.00793 -0.08867 0.07795 -0.00258 203 4XY -0.07202 -0.06901 -0.03331 0.09418 0.01573 204 4XZ 0.05359 0.01988 -0.04745 0.02694 -0.05397 205 4YZ 0.07758 0.07935 -0.02186 -0.06144 0.01096 206 19 O 1S 0.00326 0.00150 -0.00301 -0.00576 0.00915 207 2S 0.16392 -0.02846 -0.08052 0.02490 0.00690 208 2PX 0.02121 0.00429 -0.02032 0.00030 0.01018 209 2PY -0.04758 0.04309 0.02120 -0.03691 0.01661 210 2PZ 0.01398 -0.00299 -0.01397 0.00688 -0.00772 211 3S -0.56426 -0.11088 0.34854 0.14161 -0.22961 212 3PX -0.02014 0.05118 0.02469 -0.08122 0.00611 213 3PY 0.12291 -0.03153 -0.05380 -0.01425 0.06860 214 3PZ -0.07408 0.05218 0.02294 -0.03266 0.01948 215 4XX 0.10763 0.00856 -0.09032 -0.01377 -0.01049 216 4YY 0.05166 0.00427 -0.01549 -0.00419 0.00472 217 4ZZ -0.11357 -0.02400 0.07306 -0.00353 0.06296 218 4XY -0.06167 -0.08538 0.03533 0.10537 0.02558 219 4XZ 0.05311 -0.00444 0.02202 0.00103 0.00583 220 4YZ 0.10277 -0.07262 0.04672 0.02045 -0.04414 221 20 H 1S 0.20778 -0.18428 0.24154 0.03404 -0.11198 222 2S 0.11997 0.12741 -0.04479 -0.05978 -0.12903 223 21 H 1S -0.09842 0.16016 -0.23304 0.15709 -0.13150 224 2S -0.03175 -0.12396 0.00048 0.12625 -0.02875 225 22 H 1S 0.02718 -0.01731 -0.13241 -0.29287 0.22099 226 2S 0.01990 -0.26595 -0.27891 -0.12453 0.04876 227 23 H 1S -0.09998 -0.11817 -0.21356 0.14446 0.06723 228 2S 0.00346 0.52361 0.44797 0.05884 0.04545 229 24 H 1S 0.26574 -0.19330 -0.01681 0.06969 0.11223 230 2S -0.06601 0.07057 0.10851 0.00983 -0.06936 231 25 H 1S -0.24620 0.04253 -0.16196 0.05288 -0.15887 232 2S 0.05553 0.05135 0.07592 0.05641 0.02201 233 26 H 1S -0.06540 0.10789 0.11190 -0.01494 0.07262 234 2S -0.03728 -0.04742 -0.11327 0.07000 0.05745 196 197 198 199 200 V V V V V Eigenvalues -- 2.43332 2.46840 2.47507 2.48274 2.53811 1 1 C 1S 0.02408 0.01342 0.00314 0.00163 -0.01403 2 2S 0.02296 0.01707 0.01727 0.04191 -0.07749 3 2PX -0.01512 -0.02369 -0.01085 0.01611 -0.00320 4 2PY 0.10675 0.06389 0.01542 -0.02911 -0.05622 5 2PZ 0.07439 0.04059 0.00312 -0.01063 -0.01782 6 3S -1.13307 -0.72171 -0.22438 0.17742 0.24386 7 3PX -0.09033 -0.02376 0.03111 -0.01155 0.07084 8 3PY 0.46176 0.31674 0.08262 -0.05005 -0.16091 9 3PZ 0.27340 0.03760 0.01046 -0.00295 0.10707 10 4XX 0.08017 -0.01515 -0.08494 0.18738 -0.07634 11 4YY -0.22670 -0.06388 0.10517 0.17489 0.22311 12 4ZZ 0.19614 0.10901 -0.02024 -0.35976 -0.14822 13 4XY 0.05740 0.25037 0.26833 -0.04394 -0.02013 14 4XZ -0.02544 0.08106 0.04946 -0.02048 0.04258 15 4YZ -0.20677 -0.04341 0.00532 -0.05226 0.06422 16 2 C 1S 0.02599 -0.01181 0.01613 -0.02346 0.03628 17 2S 0.27735 0.32999 -0.30058 -0.20666 0.19313 18 2PX -0.00096 0.01961 -0.05648 -0.02484 -0.02817 19 2PY -0.00839 -0.13836 0.11968 0.14456 0.02612 20 2PZ 0.10144 0.00347 0.10206 -0.02649 -0.12656 21 3S -0.69341 -0.19596 -1.02455 0.41057 -1.67004 22 3PX -0.18877 -0.38237 -0.24389 0.12191 -0.37996 23 3PY 1.33344 0.51125 0.29863 -0.13912 1.02770 24 3PZ 1.11326 0.99872 0.56753 -0.87867 -0.56897 25 4XX 0.20708 -0.30915 -0.07139 -0.12245 0.06738 26 4YY -0.05521 0.23419 0.20553 0.06436 0.03679 27 4ZZ -0.11699 0.01389 -0.06304 -0.04326 -0.13991 28 4XY -0.24019 0.40600 0.43488 -0.24623 0.34825 29 4XZ 0.08363 0.04246 0.13234 0.06355 -0.06182 30 4YZ 0.23369 0.03663 0.07517 -0.17665 -0.06761 31 3 C 1S -0.00378 0.01734 -0.00626 0.00949 -0.03407 32 2S -0.12612 -0.15732 0.19732 -0.30638 -0.36725 33 2PX -0.07922 0.02055 0.02044 -0.02897 0.00326 34 2PY 0.14653 -0.02612 0.00071 -0.04877 0.11772 35 2PZ 0.04485 0.05827 -0.11685 0.13027 0.06112 36 3S 0.93596 0.33866 0.93792 -0.19540 1.76793 37 3PX -0.12242 0.28294 0.14186 -0.21016 -0.05001 38 3PY -0.10489 -0.29862 0.00752 0.70484 0.98115 39 3PZ -0.54457 -0.48514 -0.48901 0.33955 -0.76118 40 4XX -0.02085 -0.00113 -0.20364 0.06265 -0.25518 41 4YY -0.29881 -0.12475 0.22947 0.19937 0.35381 42 4ZZ 0.38754 0.22930 -0.07455 -0.22388 -0.08165 43 4XY -0.13333 0.44469 0.22927 -0.16534 0.14810 44 4XZ 0.27268 -0.19320 -0.13241 0.19668 -0.11257 45 4YZ -0.10206 -0.00632 -0.12794 -0.22304 -0.04352 46 4 C 1S -0.02471 0.01147 0.05000 -0.02356 0.00655 47 2S -0.07362 0.06589 1.01992 -0.13237 -0.18651 48 2PX -0.09917 -0.00174 -0.01122 -0.07692 0.01442 49 2PY -0.01362 0.00855 0.16078 0.01934 -0.10273 50 2PZ -0.02211 0.05261 -0.06070 0.03270 -0.12088 51 3S 0.43596 -0.85549 -3.19910 0.54224 0.23150 52 3PX -0.37194 0.39625 0.55002 -0.42880 -0.04134 53 3PY 0.15088 -0.21781 -1.28625 0.29979 0.36242 54 3PZ -0.49613 -0.01365 0.73919 0.53954 0.42462 55 4XX 0.10063 -0.02534 -0.09932 0.08874 -0.11250 56 4YY -0.33245 -0.06467 0.00044 0.17250 0.22341 57 4ZZ 0.19863 0.07754 -0.09273 -0.26655 -0.04936 58 4XY 0.15655 0.00484 0.08643 -0.05507 -0.03054 59 4XZ 0.17143 -0.02439 0.01076 0.07738 0.21551 60 4YZ 0.26584 0.07411 0.03379 0.27769 -0.00743 61 5 C 1S -0.01848 -0.04312 -0.00858 -0.07015 0.04763 62 2S -0.34055 -0.24915 -0.06556 -0.47680 0.58290 63 2PX 0.09575 0.07029 -0.13526 0.03838 -0.10094 64 2PY -0.08918 0.04232 -0.08834 0.03066 -0.13513 65 2PZ 0.03547 0.05166 0.01068 0.01803 0.15083 66 3S 0.76850 2.08014 0.59164 3.07558 -2.46227 67 3PX 0.38453 0.51776 -0.37348 0.41576 0.25060 68 3PY 0.06718 0.53308 0.15005 0.59036 -1.74869 69 3PZ 0.34160 -0.01254 0.37307 0.53553 -0.10410 70 4XX 0.16335 0.08842 -0.00961 0.35839 0.03881 71 4YY -0.15517 0.08331 0.03273 -0.01585 -0.38002 72 4ZZ 0.06548 -0.18698 0.00937 -0.34657 0.23001 73 4XY 0.06916 -0.03377 0.00360 0.02778 0.13351 74 4XZ 0.19728 0.09378 0.10281 0.21924 -0.08820 75 4YZ -0.09138 -0.13642 -0.05008 -0.15173 0.03891 76 6 C 1S -0.03236 0.03068 -0.03763 0.01979 -0.05814 77 2S -0.45056 -0.15371 -0.41112 0.32211 -0.56533 78 2PX 0.04751 -0.02219 0.12751 -0.14125 0.10118 79 2PY 0.03679 0.03627 0.11433 0.07799 -0.12940 80 2PZ -0.06057 -0.13805 -0.01949 0.01118 -0.00820 81 3S 1.56926 -1.30392 1.30622 -1.32520 2.75281 82 3PX 0.56476 -0.36380 0.70466 -0.31682 0.21732 83 3PY 0.45598 0.39023 0.52423 0.38313 -1.03837 84 3PZ 0.60980 0.16445 0.07102 -0.64613 1.32658 85 4XX 0.06446 -0.01876 0.31052 0.08219 0.01222 86 4YY 0.10278 0.02548 0.05325 -0.03614 0.14280 87 4ZZ -0.07640 0.13028 -0.33510 -0.12100 -0.07437 88 4XY 0.23688 0.00928 0.21126 0.07199 0.00622 89 4XZ 0.10220 0.01366 0.09850 0.03069 0.11249 90 4YZ -0.08202 0.20103 0.01902 0.13113 -0.35906 91 7 C 1S -0.00946 -0.02065 -0.05631 0.01950 0.00667 92 2S 0.19491 -0.05581 -0.88238 0.37586 0.31283 93 2PX 0.02827 -0.02272 -0.12104 0.01677 -0.02273 94 2PY -0.01328 -0.04438 0.08135 -0.08321 0.00726 95 2PZ 0.14520 0.00788 -0.03294 -0.04477 0.14111 96 3S -0.15226 1.04726 2.85408 -1.25142 -0.95726 97 3PX 0.17043 -0.24984 -0.11870 0.05274 -0.10271 98 3PY 0.05861 -0.40206 -1.27688 0.31174 0.10574 99 3PZ 0.43198 0.19971 0.74614 -0.26613 -0.55928 100 4XX 0.08208 0.05415 0.06704 0.07064 0.06505 101 4YY -0.42629 -0.05824 -0.06941 -0.02759 -0.11127 102 4ZZ 0.27438 -0.00956 0.13968 -0.11028 -0.02540 103 4XY 0.08998 -0.00507 0.17517 0.10871 -0.02915 104 4XZ 0.03752 0.12739 0.21554 0.12969 -0.11041 105 4YZ 0.17433 0.19811 -0.05070 -0.20075 -0.09575 106 8 C 1S -0.05023 0.01670 0.05594 0.00053 -0.02307 107 2S -0.50242 0.01302 0.57930 -0.10414 0.11456 108 2PX -0.03018 -0.06893 -0.08281 0.00561 0.07688 109 2PY -0.12067 0.00735 -0.01243 0.01736 -0.03579 110 2PZ -0.00297 -0.02520 -0.03297 -0.00080 0.04392 111 3S 1.91661 -0.67574 -3.11114 0.50720 0.39603 112 3PX 0.58075 -0.06373 -0.67985 -0.00127 -0.08555 113 3PY -0.26384 -0.19151 0.35989 0.13128 -0.20080 114 3PZ 0.54577 -0.33257 -0.88025 0.11199 0.34802 115 4XX -0.12340 -0.15267 -0.00233 0.33313 -0.09940 116 4YY 0.02882 -0.23389 -0.11197 -0.15091 0.10344 117 4ZZ 0.12079 0.41169 0.02117 -0.14710 -0.09846 118 4XY -0.06347 -0.14064 0.04523 -0.08567 0.02214 119 4XZ 0.23914 0.06828 -0.17584 -0.15750 0.05755 120 4YZ -0.18101 0.02367 0.06524 0.02784 -0.16205 121 9 C 1S 0.05419 -0.01999 -0.06541 -0.00251 0.01860 122 2S 0.20706 -0.09013 -0.55901 0.18365 -0.03323 123 2PX -0.07010 0.01458 0.04826 -0.02129 -0.01979 124 2PY -0.09289 0.04400 0.08094 0.05965 -0.05742 125 2PZ -0.01031 -0.02425 0.00387 -0.01449 0.03167 126 3S -1.83504 0.71579 3.30451 -0.34829 -0.27897 127 3PX -0.33888 0.07680 0.49967 0.11448 0.25413 128 3PY -0.69174 0.18176 1.05544 -0.10678 -0.39145 129 3PZ -0.12281 0.38453 0.19786 -0.33725 -0.13814 130 4XX -0.03009 0.07550 -0.03775 0.00374 0.12744 131 4YY -0.11975 -0.08231 0.17579 0.09691 -0.16935 132 4ZZ 0.19587 -0.02104 -0.10234 -0.17680 0.09641 133 4XY 0.06632 -0.02420 0.15493 -0.07620 0.08214 134 4XZ -0.25863 0.13172 -0.02979 -0.04539 -0.11098 135 4YZ 0.13507 -0.18641 0.02115 0.00290 0.06136 136 10 H 1S -0.02717 0.13206 -0.15982 -0.04307 -0.04671 137 2S -0.00739 0.02950 0.00163 -0.00796 -0.12891 138 11 H 1S -0.00972 -0.08869 -0.20975 0.10452 -0.04226 139 2S 0.01138 -0.06766 -0.03168 0.08209 0.10040 140 12 H 1S 0.00317 0.12433 0.15279 -0.24302 0.01679 141 2S -0.02463 0.05075 0.08446 0.00700 -0.09036 142 13 H 1S -0.15403 -0.23347 0.08572 0.06800 0.06670 143 2S 0.12359 0.03658 0.00274 -0.08606 0.07729 144 14 H 1S 0.26054 0.06039 0.05351 0.00914 0.03459 145 2S 0.01092 0.00685 0.19199 -0.06330 0.00935 146 15 C 1S 0.03127 -0.02382 0.05203 -0.02092 0.01455 147 2S 0.18575 -0.47442 0.48139 -0.07365 -0.13735 148 2PX 0.14277 -0.03981 0.17312 0.01608 0.02486 149 2PY 0.01897 0.13879 -0.06534 0.06761 0.09642 150 2PZ 0.04552 -0.04990 0.15352 0.04824 -0.10932 151 3S -1.20129 0.53656 -1.24290 0.41797 -0.66700 152 3PX 0.88117 -0.52059 1.11846 -0.10512 -0.21495 153 3PY 0.23888 -0.58054 0.79424 -0.75417 0.58147 154 3PZ 0.37219 -0.05749 0.47528 0.10895 -0.43050 155 4XX -0.01342 -0.28566 0.08401 -0.11486 0.01051 156 4YY -0.05489 0.22571 -0.08640 0.22040 -0.10079 157 4ZZ 0.10960 0.10289 0.03437 -0.15169 0.15647 158 4XY -0.07191 0.02828 -0.12055 0.08655 0.03671 159 4XZ -0.15282 0.20176 -0.32226 -0.00931 -0.03480 160 4YZ -0.06435 -0.02628 0.20213 0.05742 -0.35323 161 16 O 1S 0.00203 -0.00037 -0.00773 -0.00811 -0.00321 162 2S 0.25784 0.06563 0.25518 0.30879 0.04480 163 2PX -0.02441 0.01890 -0.07163 -0.04432 0.01084 164 2PY 0.00622 -0.11426 0.09913 -0.09780 -0.12112 165 2PZ -0.00275 0.04979 -0.06870 0.00373 0.03890 166 3S -0.54508 -0.11278 -0.46843 -0.61038 -0.07507 167 3PX 0.05958 -0.09783 0.15997 0.03730 -0.10688 168 3PY -0.10729 0.49139 -0.44915 0.28694 0.57922 169 3PZ 0.00398 -0.24169 0.24719 0.01238 -0.19838 170 4XX -0.00283 -0.00977 -0.03370 0.03288 0.03857 171 4YY -0.02439 -0.20688 0.10590 -0.13723 -0.14185 172 4ZZ 0.04701 0.21011 -0.09929 0.08915 0.09219 173 4XY -0.02324 -0.03132 0.00123 -0.02708 -0.08684 174 4XZ -0.05189 0.08298 -0.12780 -0.12922 0.03287 175 4YZ 0.10478 -0.16823 0.13430 -0.09130 -0.12405 176 17 C 1S 0.02493 0.04572 -0.01289 0.04365 -0.01511 177 2S 0.13120 0.56430 -0.23543 0.38156 0.16810 178 2PX 0.09700 0.03879 0.05093 0.15192 -0.06610 179 2PY 0.08415 0.16923 -0.09123 0.16114 0.14546 180 2PZ 0.05885 -0.05775 0.06177 0.05029 0.03685 181 3S -0.74515 -1.25841 -0.14399 -1.50214 0.59016 182 3PX 0.55248 1.14385 -0.30232 1.16475 -0.02909 183 3PY 0.07874 -0.02838 0.28352 0.11124 0.83951 184 3PZ 0.39332 0.58665 -0.44416 0.57526 -0.23377 185 4XX -0.15461 0.15102 -0.12040 0.07310 -0.04741 186 4YY 0.01827 -0.11845 0.13245 -0.22074 -0.37708 187 4ZZ 0.17774 -0.03018 0.00179 0.15944 0.34449 188 4XY -0.05901 0.03763 -0.14966 -0.09131 0.12435 189 4XZ -0.08596 -0.32882 0.14418 -0.26807 0.10752 190 4YZ 0.01090 0.10005 -0.02230 -0.09352 -0.19493 191 18 O 1S 0.00348 -0.00540 -0.00152 0.00017 -0.00168 192 2S -0.00106 0.22330 -0.22391 0.04629 -0.16465 193 2PX 0.05195 -0.01541 0.02611 0.05355 0.03397 194 2PY 0.01681 0.11477 -0.07252 0.03041 -0.04434 195 2PZ 0.01658 -0.07895 0.06376 -0.00516 0.03776 196 3S -0.11844 -0.38199 0.61866 -0.17009 0.47188 197 3PX -0.12670 -0.20057 -0.04631 -0.26145 -0.08672 198 3PY -0.14781 -0.20941 0.16174 -0.21178 -0.09706 199 3PZ -0.05728 0.05629 -0.07920 -0.04642 -0.26406 200 4XX 0.07068 0.07936 0.01203 0.06098 -0.04122 201 4YY -0.14737 -0.02207 0.00616 -0.17508 -0.38494 202 4ZZ 0.08564 -0.03143 -0.07610 0.10903 0.38421 203 4XY 0.07439 -0.02627 -0.04909 0.03053 0.16578 204 4XZ 0.05563 0.15048 -0.04719 0.19950 0.15091 205 4YZ -0.01228 0.12006 0.01496 0.11989 -0.05113 206 19 O 1S -0.00247 0.00206 -0.00177 0.00339 0.00176 207 2S 0.00644 -0.18257 0.13874 -0.26127 0.10060 208 2PX 0.03863 -0.01713 0.06769 0.00652 -0.00313 209 2PY -0.02188 0.10429 -0.05423 0.13066 -0.03433 210 2PZ 0.02767 -0.01073 0.02872 -0.00878 0.00104 211 3S 0.11952 0.37204 -0.33882 0.59366 -0.32259 212 3PX -0.23795 0.15902 -0.33708 -0.03302 0.03603 213 3PY -0.03766 -0.10191 0.06844 -0.16803 0.10634 214 3PZ -0.09181 0.02857 -0.23464 -0.04742 0.22079 215 4XX 0.00995 0.02337 0.03945 0.02519 0.00385 216 4YY -0.04559 0.01780 -0.00809 -0.04085 -0.08128 217 4ZZ 0.02956 -0.07858 -0.02688 -0.02435 0.10404 218 4XY 0.14785 -0.14466 0.20480 0.08577 0.00419 219 4XZ 0.02453 -0.08642 0.10815 -0.00282 -0.02639 220 4YZ 0.00900 -0.00600 0.28509 0.13907 -0.40336 221 20 H 1S 0.04153 0.08109 0.07764 0.04007 0.04671 222 2S 0.13101 0.18803 -0.07916 -0.13256 0.21497 223 21 H 1S 0.06880 -0.02680 0.05903 0.06148 -0.01287 224 2S 0.02998 -0.06861 0.10605 -0.00630 -0.25910 225 22 H 1S 0.27099 0.07406 0.01137 0.02133 -0.09898 226 2S -0.02438 -0.05052 -0.26428 0.01935 0.04576 227 23 H 1S -0.23706 -0.06656 0.01747 0.04710 0.05819 228 2S 0.21615 0.15712 0.07029 -0.07541 0.19122 229 24 H 1S 0.01243 -0.06908 -0.11724 -0.09107 -0.01774 230 2S -0.00225 0.04235 0.07174 0.05211 -0.01756 231 25 H 1S 0.03969 0.08048 0.11674 -0.09474 -0.01058 232 2S 0.00840 -0.03853 -0.04541 0.02397 0.00417 233 26 H 1S -0.08342 -0.02221 0.01892 0.19756 0.04727 234 2S 0.03126 0.09081 0.00509 -0.10590 -0.12874 201 202 203 204 205 V V V V V Eigenvalues -- 2.54245 2.55805 2.62069 2.65857 2.66558 1 1 C 1S -0.00884 0.00865 0.00072 -0.00066 0.01506 2 2S -0.04322 -0.02244 0.02217 0.00521 0.04800 3 2PX 0.00592 -0.01374 0.00574 0.00189 -0.01363 4 2PY -0.01643 0.04424 0.00453 -0.03860 0.03526 5 2PZ -0.01205 0.02095 0.00048 -0.00271 0.01929 6 3S 0.00755 -0.37136 -0.12258 -0.02071 0.21874 7 3PX -0.01098 -0.05991 -0.00326 -0.00062 -0.00851 8 3PY -0.08457 0.23548 0.05407 -0.05333 0.00693 9 3PZ -0.04869 -0.05293 -0.00791 0.16597 -0.04492 10 4XX -0.05129 0.08915 -0.01818 -0.00565 0.05921 11 4YY 0.09155 -0.17893 0.00144 0.13848 -0.14364 12 4ZZ -0.04435 0.12084 0.00928 -0.11535 0.09711 13 4XY -0.04686 -0.06080 0.02681 -0.01872 0.07887 14 4XZ -0.03342 0.03795 -0.03862 0.00726 0.02243 15 4YZ 0.09365 -0.02525 -0.00604 0.00691 -0.08550 16 2 C 1S 0.02797 -0.01093 0.01094 0.00334 -0.04594 17 2S -0.07557 0.05653 0.01869 0.37797 -0.48469 18 2PX -0.00970 0.00706 0.01209 0.00017 -0.03837 19 2PY -0.01444 0.02401 0.00852 -0.12645 0.04941 20 2PZ 0.00837 0.04945 0.03477 -0.16031 0.08258 21 3S -1.66592 -0.86241 -0.23119 0.66646 3.60553 22 3PX 0.00999 -0.11838 -0.00748 -0.00828 0.45469 23 3PY 0.64627 0.25661 0.07438 0.42008 -1.70325 24 3PZ 0.42007 1.15299 0.29572 -0.93163 -0.92226 25 4XX 0.17225 -0.08507 0.08018 -0.07842 -0.21764 26 4YY -0.04817 0.00373 0.02986 -0.00490 0.06126 27 4ZZ -0.04498 0.03018 -0.11738 -0.03406 0.26814 28 4XY -0.09050 -0.01112 0.00461 0.12646 -0.01260 29 4XZ 0.05596 -0.18482 0.01759 -0.07670 -0.04850 30 4YZ -0.05474 0.05176 0.00668 -0.14599 0.10071 31 3 C 1S -0.01835 0.00970 0.00752 -0.00577 0.03152 32 2S 0.01344 0.03736 -0.02071 -0.42250 0.54317 33 2PX 0.01255 -0.00616 -0.00753 0.01337 0.03562 34 2PY -0.02217 -0.03281 0.04644 0.08046 -0.04179 35 2PZ -0.04059 -0.06555 0.04041 0.18913 -0.05169 36 3S 1.41550 0.80123 -0.07985 -0.38780 -3.37258 37 3PX -0.16004 0.15993 0.04177 -0.23141 0.03332 38 3PY 0.17344 -0.46405 0.03880 0.64335 -0.54673 39 3PZ -0.88869 -0.70144 -0.02221 0.32533 1.97537 40 4XX -0.01868 0.03416 0.04667 -0.04582 0.09630 41 4YY 0.02164 -0.01649 -0.02938 0.04558 -0.13024 42 4ZZ -0.06740 0.05596 -0.01286 0.08120 -0.09062 43 4XY -0.15419 0.14393 0.03777 0.16662 0.12151 44 4XZ 0.04923 0.05409 0.03093 0.01051 0.01137 45 4YZ 0.04251 0.04213 -0.10155 -0.05145 -0.08449 46 4 C 1S 0.05212 0.05100 -0.00425 -0.08009 -0.08688 47 2S 0.58667 0.80671 -0.00692 -1.45668 -0.37156 48 2PX -0.03646 -0.04716 -0.13298 0.18405 0.04400 49 2PY 0.03917 0.07770 -0.01330 -0.16648 0.09206 50 2PZ -0.01614 0.00635 0.05035 0.03012 0.06276 51 3S -2.08110 -3.17419 0.18601 5.07209 3.41460 52 3PX 0.14670 -0.14761 -0.62124 0.21503 0.03511 53 3PY -1.03650 -1.35278 -0.04231 2.29834 1.12039 54 3PZ 0.51413 0.26735 -0.07470 -0.97502 -0.74895 55 4XX -0.05634 -0.32014 -0.07472 0.01090 0.24849 56 4YY 0.05597 -0.00525 -0.00725 0.25196 -0.22268 57 4ZZ -0.09046 0.18070 0.08618 0.08913 -0.08663 58 4XY -0.15370 -0.03554 -0.17831 0.24983 0.21154 59 4XZ 0.06196 0.12258 0.43003 -0.06792 -0.00640 60 4YZ -0.03796 -0.07530 0.21640 -0.02290 0.14133 61 5 C 1S -0.01807 -0.06843 -0.02046 0.09090 0.02754 62 2S 0.00789 -0.39969 0.11433 1.23396 0.25624 63 2PX -0.11971 -0.05401 -0.07429 0.15579 0.08008 64 2PY 0.04115 0.04456 -0.01823 0.04978 0.04601 65 2PZ 0.02123 -0.01575 0.07753 0.04036 -0.04636 66 3S 0.48689 3.12677 -0.07228 -6.60852 -1.97290 67 3PX -1.92156 -0.42531 -0.50007 0.57101 0.66534 68 3PY 0.40613 1.15590 0.05235 -1.48637 0.20246 69 3PZ -0.99652 0.86891 -0.02756 -1.61933 -0.66660 70 4XX -0.09188 -0.03132 0.00627 -0.22855 -0.18928 71 4YY 0.27728 0.05082 -0.05652 0.01853 0.30705 72 4ZZ -0.22493 0.02186 0.00795 -0.05309 -0.16169 73 4XY -0.20214 0.03025 0.12463 0.18998 -0.02352 74 4XZ -0.42721 0.09529 -0.31666 0.10705 0.08786 75 4YZ -0.04793 -0.28414 -0.06735 -0.23846 0.30470 76 6 C 1S 0.01996 0.07715 -0.02009 -0.09189 -0.02862 77 2S 0.05401 0.43065 0.06068 -1.26089 -0.28058 78 2PX 0.09200 0.07148 -0.09911 -0.19176 -0.08693 79 2PY 0.04154 0.03867 0.04520 -0.04851 0.04494 80 2PZ -0.04832 -0.03485 0.03998 -0.04541 0.01020 81 3S -0.60228 -3.46624 0.02193 6.66482 2.01870 82 3PX 1.43733 0.21698 -0.48471 -0.39126 -0.73543 83 3PY 1.60794 0.16023 -0.13620 0.07154 0.32895 84 3PZ 0.01514 -1.50192 0.13821 2.23341 0.48808 85 4XX 0.06026 -0.06264 0.14951 0.10044 0.19080 86 4YY 0.07192 -0.28594 -0.18805 -0.08002 0.16014 87 4ZZ -0.11083 0.31804 0.01500 0.25015 -0.29896 88 4XY 0.24416 0.07383 -0.22943 0.16231 -0.03029 89 4XZ 0.29623 -0.06084 -0.18333 -0.22412 -0.22494 90 4YZ 0.38586 0.00280 0.04620 -0.03833 0.20515 91 7 C 1S -0.05190 -0.06155 -0.00600 0.08847 0.08353 92 2S -0.62339 -0.91172 0.01057 1.55503 0.37115 93 2PX 0.01652 0.02519 -0.13632 -0.10831 -0.06977 94 2PY 0.05515 0.06711 -0.01329 -0.18539 -0.01966 95 2PZ -0.03345 -0.06102 0.05636 0.12456 -0.11364 96 3S 2.15002 3.78707 0.31269 -5.62464 -3.28794 97 3PX 0.29812 0.70586 -0.64096 -1.09957 -0.61211 98 3PY -1.07055 -1.15037 -0.19701 2.08674 1.20159 99 3PZ 0.46575 0.73245 0.11861 -0.90844 -0.38016 100 4XX 0.13952 0.36817 -0.29582 -0.25965 -0.25343 101 4YY -0.06211 -0.18260 0.10446 -0.03137 0.30702 102 4ZZ 0.03149 -0.02931 0.18356 -0.08060 -0.00748 103 4XY -0.06675 0.08774 0.39494 0.18537 -0.05177 104 4XZ 0.02892 -0.13826 0.20769 -0.13707 -0.04125 105 4YZ 0.05221 0.01989 0.06823 -0.10758 -0.02828 106 8 C 1S -0.03158 0.05174 0.03042 -0.05912 -0.00154 107 2S -0.22130 0.13703 0.06930 -0.28441 0.15554 108 2PX -0.09123 -0.10114 -0.05688 0.16566 0.08493 109 2PY -0.14735 0.02221 -0.07677 -0.00315 0.10264 110 2PZ 0.01231 -0.11059 -0.04074 0.09080 0.06760 111 3S 0.35332 -2.09783 -0.64055 3.13558 0.49064 112 3PX 0.36778 -0.57805 -0.32028 0.58607 0.29730 113 3PY -0.47517 0.58433 -0.21358 -0.54192 0.13891 114 3PZ -0.06361 -0.24123 -0.07279 0.70270 -0.30163 115 4XX -0.16374 0.38266 -0.08868 -0.08535 -0.09278 116 4YY 0.12570 -0.26063 -0.01347 0.09827 0.12547 117 4ZZ 0.02201 -0.05865 0.14172 -0.03775 -0.09270 118 4XY -0.16384 0.00469 -0.22490 -0.05769 0.23723 119 4XZ 0.11020 -0.13882 -0.11647 0.02141 -0.04146 120 4YZ -0.21825 0.07309 -0.04408 -0.20422 0.15158 121 9 C 1S 0.03290 -0.04523 0.03038 0.05159 0.00739 122 2S 0.24017 -0.18787 0.07721 0.30194 -0.15934 123 2PX 0.14059 0.03739 -0.07103 -0.10343 -0.13001 124 2PY -0.06757 0.11213 0.00096 -0.11945 -0.01441 125 2PZ 0.07931 0.02117 -0.07417 -0.01007 -0.12319 126 3S -0.38662 1.95112 -0.65879 -2.95684 -0.61897 127 3PX -0.19607 0.22076 -0.37397 -0.18948 -0.42694 128 3PY -0.40375 0.75561 -0.03700 -1.04712 0.21995 129 3PZ 0.42235 -0.32538 -0.12492 0.01792 0.12151 130 4XX 0.25415 -0.38154 -0.15956 0.10791 -0.10923 131 4YY -0.33177 0.24397 0.11146 -0.22906 0.27242 132 4ZZ 0.09489 0.10881 0.08588 0.12155 -0.09530 133 4XY 0.01426 -0.16540 -0.03193 0.08386 0.14446 134 4XZ -0.02087 0.19638 -0.21176 0.05209 -0.24187 135 4YZ 0.06766 -0.04218 -0.02531 0.08485 0.04514 136 10 H 1S 0.12043 -0.20828 0.01594 0.11526 0.02736 137 2S -0.06089 -0.02162 0.02559 0.01762 0.20684 138 11 H 1S -0.10873 0.13533 -0.03017 0.13207 -0.10088 139 2S -0.17531 -0.05874 -0.06669 0.14379 0.02451 140 12 H 1S 0.09649 -0.12009 -0.02806 -0.12958 0.10232 141 2S 0.18133 0.04586 -0.05998 -0.16085 -0.02176 142 13 H 1S -0.10527 0.19306 -0.00073 -0.10662 -0.03950 143 2S 0.05364 0.05601 0.02728 -0.03902 -0.19584 144 14 H 1S 0.06628 0.06651 0.01282 0.02512 -0.09237 145 2S 0.21198 0.08547 0.00914 -0.37934 -0.16693 146 15 C 1S 0.05395 -0.01766 0.00729 0.00079 -0.00364 147 2S 0.34881 0.19826 -0.33467 0.34201 0.09435 148 2PX 0.14029 0.01917 -0.26090 0.35072 0.13633 149 2PY 0.11067 -0.14525 0.13624 -0.13670 -0.05204 150 2PZ 0.08404 0.00598 -0.08157 0.20052 0.01196 151 3S -1.72773 1.48981 0.15709 -1.02825 -0.36215 152 3PX 1.16215 0.04054 -0.62920 1.67120 0.62922 153 3PY 0.23036 -0.18964 0.29808 0.28416 -0.26242 154 3PZ 0.62807 0.30017 -0.35567 0.55104 -0.00667 155 4XX -0.26618 0.18120 0.07460 -0.04759 -0.15773 156 4YY -0.11347 -0.25701 0.09608 0.05305 0.07892 157 4ZZ 0.40498 0.01059 -0.05289 -0.06968 0.04514 158 4XY 0.05995 0.23166 -0.16723 0.00399 0.22188 159 4XZ -0.06118 0.23352 -0.04392 0.15171 -0.03816 160 4YZ 0.00722 -0.20672 0.41083 0.14047 -0.32084 161 16 O 1S 0.00033 0.00126 -0.02191 0.00600 -0.00202 162 2S 0.01241 -0.05536 -0.71978 0.15140 -0.06043 163 2PX -0.02954 0.00132 0.03203 -0.05040 -0.01902 164 2PY 0.12802 0.04817 0.01901 0.20018 0.10231 165 2PZ -0.05794 -0.00865 0.01283 -0.09798 -0.04100 166 3S -0.04677 0.12637 2.11203 -0.47918 0.19946 167 3PX 0.09629 0.13738 -0.56584 0.41105 0.04107 168 3PY -0.36974 -0.77768 -0.18310 -1.17757 -0.48381 169 3PZ 0.17633 0.28785 -0.03663 0.61069 0.17967 170 4XX -0.03563 -0.10536 0.13297 -0.12259 -0.07745 171 4YY -0.20409 -0.03254 0.16506 0.10398 0.07343 172 4ZZ 0.24221 0.14161 -0.34238 0.02918 0.00132 173 4XY 0.13458 0.29247 -0.03178 0.30500 0.20328 174 4XZ 0.01323 -0.05030 0.00448 -0.21143 -0.07246 175 4YZ -0.27338 -0.17703 -0.30818 0.03357 -0.05620 176 17 C 1S -0.05810 0.01655 0.00855 -0.01747 0.00905 177 2S -0.34211 -0.26223 -0.32723 -0.23103 -0.12325 178 2PX -0.15645 0.01297 -0.18786 -0.21281 -0.12357 179 2PY -0.03365 -0.12397 -0.24299 -0.22854 -0.12835 180 2PZ -0.11283 0.07755 0.06862 -0.01539 0.05818 181 3S 1.84233 -1.33965 0.13293 1.23092 0.25651 182 3PX -1.12437 -0.01110 -0.45531 -1.57215 -0.47284 183 3PY -0.66338 -0.48485 -0.75861 -0.49162 -0.52764 184 3PZ -0.47870 0.01948 0.05752 -0.54265 0.37078 185 4XX 0.19544 -0.22064 -0.03219 0.04334 -0.03419 186 4YY -0.09143 -0.03708 -0.21286 0.06197 -0.18263 187 4ZZ -0.14401 0.33709 0.36208 -0.12282 0.27135 188 4XY 0.18282 -0.07275 0.16698 -0.06836 0.30789 189 4XZ 0.05867 -0.16790 -0.06869 -0.10393 -0.13076 190 4YZ -0.33916 -0.17631 -0.10368 -0.05920 -0.02592 191 18 O 1S 0.00222 -0.00766 -0.00233 0.00157 -0.00202 192 2S -0.03811 -0.11406 0.09801 -0.04679 0.23945 193 2PX -0.00901 0.02603 -0.01576 -0.04576 -0.05635 194 2PY -0.05555 -0.05689 -0.01017 -0.02642 0.06389 195 2PZ 0.01842 0.02240 -0.04606 0.00037 -0.05650 196 3S -0.14205 0.30250 -0.32266 0.17585 -0.54607 197 3PX 0.26385 0.08418 0.28206 0.33278 0.34158 198 3PY 0.19208 0.19074 0.05678 0.27444 -0.12588 199 3PZ 0.05957 -0.08647 0.04122 0.07403 -0.02444 200 4XX -0.25686 -0.25981 -0.24037 -0.10137 -0.21110 201 4YY 0.20391 0.06751 0.00977 0.25024 -0.06470 202 4ZZ 0.04904 0.10306 0.21649 -0.12963 0.29416 203 4XY 0.00810 0.12631 0.21332 0.04224 0.23645 204 4XZ -0.03934 -0.07887 -0.10365 -0.15297 -0.08349 205 4YZ -0.07919 -0.11526 -0.13847 -0.05154 -0.11680 206 19 O 1S -0.00139 0.00833 -0.00267 0.00220 0.00094 207 2S 0.01770 0.16634 0.09243 -0.05471 -0.20375 208 2PX 0.02877 -0.00606 -0.01099 0.05760 0.02236 209 2PY -0.03315 -0.08553 -0.02821 0.03547 0.08797 210 2PZ 0.02322 0.03088 -0.03463 0.00858 -0.01543 211 3S 0.18108 -0.46107 -0.29254 0.06554 0.44332 212 3PX -0.29700 -0.11061 0.26868 -0.43504 -0.25877 213 3PY -0.02396 0.19779 0.08162 -0.08173 -0.14968 214 3PZ -0.13914 -0.04252 -0.01556 -0.20898 0.16658 215 4XX 0.17359 0.11268 -0.04719 -0.01639 0.02108 216 4YY -0.11545 -0.03183 0.07205 0.04439 -0.06357 217 4ZZ -0.05301 0.02535 -0.04258 -0.02463 0.01682 218 4XY 0.21055 0.22658 -0.32988 0.23197 0.27456 219 4XZ -0.05803 -0.06771 0.05742 -0.02196 -0.04620 220 4YZ 0.08013 -0.11682 0.24318 0.23493 -0.27951 221 20 H 1S 0.14135 -0.15355 -0.01941 -0.25141 0.07839 222 2S 0.02367 -0.14458 0.09073 0.32719 -0.08872 223 21 H 1S -0.14713 0.13091 0.01124 0.26106 -0.08022 224 2S -0.05257 0.17486 0.05985 -0.34618 0.10387 225 22 H 1S -0.08810 -0.02687 0.01761 -0.05314 0.10578 226 2S -0.19332 -0.10817 0.03480 0.46383 0.11803 227 23 H 1S 0.08747 0.02291 -0.00337 -0.04391 -0.05973 228 2S 0.19091 0.14023 0.01825 0.03052 -0.46055 229 24 H 1S 0.00371 0.08744 -0.03321 -0.01966 -0.00489 230 2S 0.01844 -0.10106 0.04512 0.04402 0.00908 231 25 H 1S -0.00010 -0.06167 0.04167 0.00850 0.01293 232 2S 0.01413 0.00839 -0.03684 -0.02184 -0.01560 233 26 H 1S 0.02577 -0.04073 0.00243 0.05398 -0.03593 234 2S -0.00674 0.09872 0.00497 -0.10429 0.04569 206 207 208 209 210 V V V V V Eigenvalues -- 2.67346 2.68975 2.70801 2.74133 2.75048 1 1 C 1S 0.00877 0.01104 -0.00912 -0.00473 0.02044 2 2S 0.13432 0.00772 -0.09291 0.00186 -0.00590 3 2PX 0.00484 -0.01462 0.01055 0.00643 -0.01698 4 2PY -0.00044 0.05362 -0.02434 -0.02271 0.06632 5 2PZ -0.01141 0.03201 0.01265 -0.02089 0.04953 6 3S -0.70790 -0.06919 0.48840 0.13079 -0.21285 7 3PX -0.13168 -0.04670 -0.01561 0.02862 0.00618 8 3PY 0.23037 0.07983 -0.23582 -0.01660 0.19189 9 3PZ 0.19551 -0.02197 -0.07372 -0.01377 0.00683 10 4XX -0.00682 0.09704 -0.01741 -0.02608 0.11473 11 4YY 0.03009 -0.11859 0.10263 -0.00263 -0.03486 12 4ZZ -0.04196 0.02893 -0.07150 0.01582 -0.02669 13 4XY 0.00467 -0.02752 0.01225 -0.01490 0.10542 14 4XZ 0.03483 0.05857 0.00366 -0.03634 0.02607 15 4YZ -0.00701 -0.10028 0.03163 0.02199 -0.15728 16 2 C 1S 0.04348 -0.02725 -0.02833 0.01368 -0.04385 17 2S -0.03475 -0.27243 -0.25372 0.00762 -0.01149 18 2PX -0.05850 -0.02199 -0.04225 0.01235 0.01483 19 2PY 0.04326 0.06004 0.00012 0.04951 -0.08674 20 2PZ 0.08612 0.07107 -0.12478 0.02457 0.08735 21 3S -1.15352 1.20569 0.87982 -0.56107 1.96911 22 3PX -0.05400 0.16629 0.20162 -0.00758 0.00560 23 3PY 0.86966 -0.57173 -0.14605 -0.00718 -0.74516 24 3PZ 0.79680 -0.02293 -1.18348 0.15118 -0.02184 25 4XX 0.24676 -0.15797 -0.17809 0.10209 -0.28612 26 4YY 0.07939 0.18505 -0.04294 -0.04617 0.32834 27 4ZZ -0.30821 0.03874 0.32831 -0.06816 -0.09089 28 4XY 0.04329 0.00446 -0.03700 0.02005 -0.13084 29 4XZ 0.01517 -0.27013 0.06656 -0.01103 0.18177 30 4YZ -0.02347 0.04424 -0.09327 -0.00201 0.04612 31 3 C 1S 0.02084 0.01347 -0.03119 -0.00259 0.04053 32 2S -0.14682 0.12287 -0.49833 0.01212 0.08766 33 2PX -0.06619 -0.00753 0.01837 -0.00208 0.03523 34 2PY 0.16184 -0.06727 -0.15745 0.05124 -0.10343 35 2PZ 0.10819 -0.02327 0.01856 0.01506 0.10363 36 3S 0.30048 -0.79681 1.08029 0.09593 -2.01139 37 3PX -0.11100 0.10279 0.05663 -0.01877 0.19132 38 3PY 0.57172 -0.37672 -0.02098 0.12486 -0.28460 39 3PZ -0.28843 0.41551 -0.38684 -0.13207 0.92638 40 4XX 0.10911 -0.01790 -0.10357 -0.03285 0.30670 41 4YY -0.00345 0.07436 0.12884 0.03743 -0.23969 42 4ZZ -0.04406 -0.07325 0.13004 -0.02325 -0.09693 43 4XY -0.01520 0.22283 -0.14622 0.02439 0.02269 44 4XZ 0.06932 0.06831 -0.10995 0.05478 -0.13825 45 4YZ -0.41907 0.08173 0.25893 -0.07927 0.03917 46 4 C 1S 0.00694 -0.00029 0.00414 0.00378 -0.02109 47 2S -0.02112 0.30011 -0.19621 -0.03270 -0.13849 48 2PX 0.03576 -0.09144 0.04231 -0.15121 0.02107 49 2PY 0.06983 0.05748 -0.11271 -0.02408 0.04649 50 2PZ 0.13663 -0.01839 -0.14160 0.04375 0.06645 51 3S -0.33400 -0.51579 0.46471 -0.03859 1.20106 52 3PX 0.18138 0.07485 -0.15827 -0.46104 -0.41335 53 3PY 0.22217 -0.32703 -0.11559 -0.14848 0.62165 54 3PZ 0.59975 0.14653 -0.58992 0.07321 0.08222 55 4XX -0.32401 0.08391 0.33022 -0.03791 0.02989 56 4YY 0.31074 -0.06445 -0.23701 0.03297 0.01279 57 4ZZ 0.06837 -0.13885 -0.01617 0.02994 -0.05178 58 4XY -0.13872 0.24999 0.05599 -0.10564 -0.21370 59 4XZ -0.31273 0.19514 0.10758 0.43107 -0.04758 60 4YZ 0.31895 0.19910 -0.29772 0.14895 0.24778 61 5 C 1S -0.02581 -0.03775 0.02120 -0.02244 0.04087 62 2S -0.02816 -0.10411 0.25503 0.05128 0.38275 63 2PX 0.02747 -0.03625 0.08324 -0.10397 0.05948 64 2PY 0.03623 0.03289 -0.00869 -0.00150 -0.14680 65 2PZ 0.01033 -0.01396 0.07616 0.03506 0.12260 66 3S 1.00951 1.12429 -0.84815 0.20369 -2.58378 67 3PX 0.23847 -0.08252 0.42237 -0.66416 -0.38908 68 3PY 0.22328 0.25555 -0.15875 -0.02434 -1.19106 69 3PZ 0.18273 0.23284 -0.23989 -0.07869 -0.04977 70 4XX 0.00890 0.19456 0.00886 0.04442 0.36087 71 4YY -0.03721 -0.04959 -0.06097 -0.00589 -0.57218 72 4ZZ -0.02085 -0.21704 -0.02721 -0.10033 0.13342 73 4XY 0.09654 -0.15574 0.06347 0.05785 -0.11968 74 4XZ 0.00192 0.12306 0.06794 -0.38225 -0.02238 75 4YZ -0.00699 -0.23458 0.10267 -0.22556 0.25848 76 6 C 1S -0.02428 0.02910 -0.02769 -0.00334 -0.05176 77 2S -0.02428 0.12984 -0.12306 0.20697 -0.39589 78 2PX 0.00559 0.06646 0.02750 -0.10236 -0.02611 79 2PY 0.01306 0.06349 0.00831 0.05702 -0.18939 80 2PZ 0.01381 0.00561 0.04765 0.02677 0.02838 81 3S 0.66766 -0.71343 1.61034 -0.83953 2.65872 82 3PX 0.04693 0.35586 0.44612 -0.83281 0.49224 83 3PY 0.40765 0.04872 -0.21198 -0.06815 -0.55634 84 3PZ 0.15331 -0.23353 0.50200 -0.30295 0.84381 85 4XX 0.09651 -0.04740 0.00223 0.22017 -0.06926 86 4YY -0.06155 -0.21937 0.06782 -0.16224 0.23042 87 4ZZ -0.09599 0.29198 -0.11266 -0.14647 -0.09582 88 4XY 0.04596 -0.09940 0.12878 -0.17376 -0.47747 89 4XZ -0.06530 0.11380 0.07635 -0.31871 0.17013 90 4YZ 0.09393 0.15512 -0.14228 0.01574 -0.30884 91 7 C 1S 0.00944 0.00257 0.01673 -0.00223 0.01791 92 2S -0.00131 -0.28562 0.37745 -0.11332 0.12001 93 2PX 0.01723 0.07425 -0.03687 -0.13146 -0.07253 94 2PY 0.05772 0.06707 -0.09774 0.00550 -0.01574 95 2PZ 0.17499 -0.05829 -0.13691 0.04444 0.01086 96 3S -0.03960 0.47460 -1.37281 0.44924 -1.05010 97 3PX 0.14144 0.04097 -0.36924 -0.49164 0.04832 98 3PY 0.17809 -0.31349 0.16398 -0.15087 0.49714 99 3PZ 0.77592 -0.01395 -1.10577 0.22992 -0.25895 100 4XX -0.26444 -0.04231 0.33434 -0.22201 -0.07491 101 4YY -0.24716 0.20257 0.04961 0.10213 0.10238 102 4ZZ 0.55627 -0.03591 -0.49462 0.15455 -0.01196 103 4XY -0.17413 -0.11075 0.24384 0.34841 -0.09371 104 4XZ -0.03026 -0.33005 0.09464 0.19782 0.19059 105 4YZ -0.21269 -0.01719 0.16264 0.00384 0.06426 106 8 C 1S -0.03409 -0.02415 0.02232 0.02781 -0.00175 107 2S -0.14509 0.09192 -0.00136 0.14862 -0.09151 108 2PX 0.07091 0.02234 -0.05705 -0.03029 0.00485 109 2PY 0.08812 -0.06524 -0.06842 -0.07016 0.02125 110 2PZ 0.00627 0.05487 -0.00087 -0.03154 0.02392 111 3S 0.72294 0.02933 -0.07482 -0.69780 0.60383 112 3PX 0.28117 0.02364 -0.07982 -0.34475 0.24135 113 3PY 0.29977 -0.18545 -0.30762 -0.12236 -0.05750 114 3PZ 0.19998 -0.16167 0.03251 -0.09449 0.02196 115 4XX 0.10180 -0.20286 0.05184 -0.05227 -0.06075 116 4YY -0.04568 0.42530 -0.13869 -0.02023 0.00162 117 4ZZ -0.07531 -0.31594 0.13139 0.06950 0.10979 118 4XY 0.22494 0.18397 -0.27360 -0.16246 -0.02095 119 4XZ 0.14035 -0.03071 -0.10706 -0.10173 0.05287 120 4YZ 0.11878 -0.12315 -0.12934 -0.03275 0.05790 121 9 C 1S -0.03765 0.02453 0.02557 0.02606 0.00062 122 2S -0.03773 -0.11659 0.13722 0.09899 0.10404 123 2PX 0.10080 -0.00768 -0.08897 -0.05115 0.00083 124 2PY 0.01370 -0.08313 0.01429 0.01965 -0.00172 125 2PZ 0.06291 0.00893 -0.02238 -0.06719 -0.04022 126 3S 0.67070 -0.03183 -0.86888 -0.43044 -0.60535 127 3PX 0.35919 0.05799 -0.11924 -0.33085 -0.23767 128 3PY 0.02454 0.00489 -0.22569 0.00194 -0.13977 129 3PZ 0.14409 0.20601 -0.29834 -0.11591 0.09549 130 4XX 0.13799 0.02503 -0.01647 -0.14797 0.05652 131 4YY -0.14226 0.01608 0.02599 0.10989 -0.03449 132 4ZZ -0.05601 0.05935 -0.01830 0.05821 -0.08276 133 4XY -0.00164 0.30066 -0.07432 -0.01447 -0.01622 134 4XZ 0.29663 -0.28808 -0.13066 -0.19092 -0.01712 135 4YZ -0.06103 0.33839 -0.04823 -0.01443 -0.05978 136 10 H 1S 0.04009 -0.12492 0.00304 0.00834 0.10328 137 2S -0.00072 0.12894 -0.10331 0.01828 0.03937 138 11 H 1S 0.02871 -0.13267 0.05248 -0.02772 -0.03342 139 2S 0.01562 0.03736 0.08752 -0.07109 -0.05027 140 12 H 1S -0.02790 0.13028 -0.07466 -0.02232 0.02757 141 2S -0.01729 -0.00246 0.05891 -0.06753 0.01042 142 13 H 1S -0.00216 0.11049 -0.05337 0.03552 -0.09515 143 2S 0.07593 -0.13595 -0.01475 0.01253 -0.01591 144 14 H 1S 0.02179 -0.04903 0.10702 -0.01650 -0.05047 145 2S 0.01795 0.11316 -0.18113 -0.00039 0.00262 146 15 C 1S 0.05112 0.03565 0.05221 -0.04911 -0.00579 147 2S -0.23179 0.00425 -0.04641 -0.20542 0.49592 148 2PX -0.17235 -0.20532 -0.16927 0.00705 0.17757 149 2PY 0.21130 0.11392 0.31347 -0.23394 -0.23329 150 2PZ -0.16103 -0.09358 -0.14535 -0.03961 0.13417 151 3S -1.12762 -0.58705 -1.25249 1.00589 -0.03070 152 3PX 0.18610 -0.39317 0.13731 -0.49558 0.87229 153 3PY 0.45567 0.87478 1.08673 -0.69991 0.49653 154 3PZ -0.03456 -0.25556 -0.20767 -0.21611 0.28325 155 4XX -0.02379 0.01781 -0.03233 -0.05306 0.09365 156 4YY -0.10207 -0.19535 -0.03599 -0.02080 -0.22027 157 4ZZ 0.35222 0.25606 0.22791 -0.07271 0.07904 158 4XY 0.22783 -0.01745 0.32028 0.27877 -0.01024 159 4XZ -0.20841 0.01365 -0.32965 0.01125 0.32996 160 4YZ -0.07785 0.17094 -0.03299 -0.45602 -0.04964 161 16 O 1S -0.03669 -0.01830 -0.04939 0.00594 0.00147 162 2S -0.69277 -0.34330 -0.84568 0.25554 0.05225 163 2PX 0.02262 0.02064 -0.02590 -0.03532 -0.02528 164 2PY 0.03310 -0.07405 0.03492 -0.03212 0.10077 165 2PZ 0.01323 0.04225 -0.01323 -0.00181 -0.04458 166 3S 2.25039 1.16685 2.98916 -0.79449 -0.16946 167 3PX -0.77593 -0.47118 -0.91728 0.42751 0.33468 168 3PY -0.40966 0.24270 -0.57274 0.32757 -1.14502 169 3PZ -0.29362 -0.32208 -0.22724 -0.02914 0.51752 170 4XX -0.07437 0.01638 -0.09064 -0.30053 -0.24315 171 4YY 0.25826 -0.00414 0.37546 0.04181 0.15126 172 4ZZ -0.25074 -0.03666 -0.33022 0.24517 0.08562 173 4XY 0.07117 -0.07039 0.08593 -0.14428 0.47353 174 4XZ 0.33473 0.21078 0.27463 0.11049 -0.19778 175 4YZ -0.18970 -0.18454 -0.26833 0.13037 -0.06642 176 17 C 1S 0.06304 0.01187 0.05122 -0.04820 -0.00865 177 2S -0.16049 -0.14777 -0.15832 -0.00452 -0.55057 178 2PX -0.09139 0.06938 -0.13299 -0.03393 -0.08479 179 2PY -0.32001 -0.09982 -0.45533 0.20990 -0.22329 180 2PZ 0.07099 0.04055 0.13521 -0.20645 0.01478 181 3S -1.33308 -0.37603 -0.85979 0.89804 0.22641 182 3PX 0.36680 0.28632 0.00979 -0.29501 -1.04987 183 3PY -0.65841 0.22668 -0.98895 0.16035 -0.09009 184 3PZ 0.50786 -0.03162 0.49578 -0.39859 -0.58915 185 4XX 0.11468 0.18297 0.22025 0.13089 0.04766 186 4YY 0.01674 0.01406 -0.15396 0.22991 -0.05598 187 4ZZ 0.11462 -0.10106 0.09166 -0.52315 0.01752 188 4XY -0.17655 -0.33688 -0.33855 -0.19752 -0.32260 189 4XZ -0.12857 -0.02376 -0.07173 0.15576 -0.08729 190 4YZ 0.34894 -0.00703 0.27622 0.08429 -0.16100 191 18 O 1S -0.01926 -0.00419 -0.01063 0.00564 0.00257 192 2S 0.27430 -0.11503 0.24580 -0.16455 -0.29207 193 2PX -0.06488 0.03158 -0.03208 0.00664 0.01758 194 2PY 0.06735 -0.02870 0.02407 -0.01362 -0.08317 195 2PZ -0.06883 0.05218 -0.04038 0.02829 0.06007 196 3S -0.40336 0.25430 -0.61626 0.30826 0.72225 197 3PX 0.07937 -0.18345 0.11899 -0.16707 0.05681 198 3PY -0.04204 0.00406 -0.06523 0.20598 0.34478 199 3PZ 0.15024 0.00929 0.24188 0.04300 -0.09997 200 4XX 0.02281 0.12520 0.12698 0.15451 -0.05815 201 4YY 0.02008 0.00890 -0.01667 0.22486 0.15246 202 4ZZ -0.16471 -0.20454 -0.21265 -0.31159 -0.08132 203 4XY -0.03000 -0.10154 0.00138 -0.28522 -0.06126 204 4XZ -0.03303 0.09645 -0.01878 0.05994 0.00463 205 4YZ 0.03909 0.13318 0.11851 -0.01127 -0.05800 206 19 O 1S -0.01819 -0.00767 -0.00950 0.00585 -0.00267 207 2S 0.13968 0.31347 0.18819 -0.23746 0.21198 208 2PX -0.02442 -0.02081 0.01170 -0.01322 0.01808 209 2PY -0.06265 -0.12432 -0.01547 0.05455 -0.09272 210 2PZ 0.01215 -0.00719 0.00120 0.00235 0.02153 211 3S -0.05785 -0.67461 -0.56158 0.50279 -0.49939 212 3PX -0.03480 0.16593 -0.11670 -0.00820 -0.20488 213 3PY 0.05679 0.22353 0.22312 -0.22423 0.16028 214 3PZ 0.06315 0.02061 0.05938 0.24006 -0.09270 215 4XX 0.00073 0.03081 0.10076 -0.04112 0.02820 216 4YY -0.10745 -0.02052 -0.22680 0.11917 -0.01389 217 4ZZ -0.02034 -0.03483 0.00936 -0.00903 -0.01072 218 4XY 0.12149 -0.13436 0.20300 0.17052 0.08428 219 4XZ -0.01193 -0.02506 0.02393 -0.04907 -0.04065 220 4YZ -0.14898 0.03970 -0.09894 -0.40782 0.01297 221 20 H 1S 0.01596 -0.11489 0.00103 0.04943 0.00626 222 2S 0.05153 0.03319 -0.04198 -0.05066 0.06681 223 21 H 1S -0.00603 0.11012 -0.01277 0.04999 0.01358 224 2S 0.06378 -0.03642 -0.10336 -0.03246 -0.04216 225 22 H 1S 0.01080 0.10116 0.01993 -0.01670 0.05200 226 2S 0.00097 -0.19288 -0.02592 0.00350 0.00380 227 23 H 1S -0.00789 0.02095 -0.01699 0.01248 0.04109 228 2S 0.11638 -0.14235 0.07578 0.05136 -0.21603 229 24 H 1S 0.04722 0.03584 -0.03995 0.00362 -0.04420 230 2S 0.03118 -0.02369 0.02046 -0.01975 -0.01961 231 25 H 1S 0.02247 -0.06080 -0.03076 0.02119 0.00196 232 2S 0.00024 0.02318 -0.02231 -0.02837 -0.00060 233 26 H 1S 0.04642 -0.01578 0.01749 -0.01335 0.01950 234 2S -0.07010 0.05013 0.01868 -0.02125 0.03680 211 212 213 214 215 V V V V V Eigenvalues -- 2.80198 2.82421 2.84652 2.88040 2.93915 1 1 C 1S 0.01176 0.02562 0.00223 0.01721 0.02024 2 2S -0.01934 0.03016 0.02475 -0.03055 -0.05319 3 2PX -0.00700 -0.01679 -0.00098 -0.01167 -0.01937 4 2PY 0.03617 0.04554 0.01814 0.05093 0.08687 5 2PZ 0.02917 0.04616 0.00797 0.03835 0.04988 6 3S 0.13809 0.16922 -0.20248 0.03769 -0.29310 7 3PX -0.01691 -0.02166 -0.03686 -0.01809 -0.03017 8 3PY 0.07147 0.04048 0.04522 0.07393 0.11871 9 3PZ -0.28891 -0.09552 0.00048 0.04667 0.21499 10 4XX 0.13588 0.14148 -0.00087 0.07057 0.06076 11 4YY -0.02855 -0.04705 -0.02728 -0.09030 -0.23509 12 4ZZ -0.06074 -0.01909 0.01861 0.07838 0.24695 13 4XY 0.00992 0.07967 -0.00455 0.07201 0.07507 14 4XZ 0.00579 0.05304 0.00469 -0.00603 0.01979 15 4YZ -0.06118 -0.12198 -0.00087 -0.11701 -0.07185 16 2 C 1S -0.06140 -0.09020 0.00106 -0.03855 -0.02145 17 2S -0.24419 -0.30668 -0.01565 -0.15289 -0.24236 18 2PX 0.06449 -0.01452 0.00991 -0.01459 -0.10191 19 2PY -0.20869 -0.15129 -0.04838 0.10876 0.45978 20 2PZ 0.23893 0.05083 0.04145 -0.05579 -0.28316 21 3S 2.09539 5.34396 0.06028 2.20050 0.46902 22 3PX 0.40207 0.54794 0.01669 0.30994 -0.17083 23 3PY -1.54445 -2.26669 0.07751 -0.68322 0.74350 24 3PZ 0.36789 -1.27524 0.25483 -0.75012 -1.10407 25 4XX -0.35642 -0.48634 0.03371 -0.12913 -0.04774 26 4YY 0.46915 0.28489 0.02150 -0.07312 -0.64185 27 4ZZ -0.04904 0.18264 -0.03040 0.12034 0.52074 28 4XY -0.24801 -0.14932 -0.00677 -0.09311 0.16747 29 4XZ -0.03401 0.02823 -0.04570 -0.00091 -0.17232 30 4YZ -0.26662 -0.07930 0.01183 0.26115 0.71557 31 3 C 1S 0.06634 0.07744 0.00538 0.02601 0.00760 32 2S 0.35303 0.35479 0.02148 0.19375 0.26986 33 2PX 0.05696 0.07101 -0.00288 -0.03579 -0.11762 34 2PY -0.36109 -0.14863 0.01940 0.11110 0.54306 35 2PZ 0.05702 0.15376 0.00185 0.01160 -0.11673 36 3S -2.63185 -5.20034 -0.17641 -1.95443 -0.02680 37 3PX 0.10321 0.07384 0.05278 -0.15238 -0.22214 38 3PY -0.90539 -0.58313 -0.15710 -0.03423 1.14278 39 3PZ 1.08768 2.76734 0.09744 1.19481 0.43492 40 4XX 0.37041 0.39420 0.06122 0.13163 -0.02868 41 4YY -0.45239 -0.35047 -0.08294 0.07649 0.58544 42 4ZZ -0.04815 -0.09908 0.02248 -0.17017 -0.38978 43 4XY 0.26229 0.21257 0.01332 -0.08232 -0.13440 44 4XZ 0.03560 -0.01345 -0.03260 0.03931 0.13465 45 4YZ 0.20158 -0.03111 0.01203 -0.11056 -0.61573 46 4 C 1S 0.05890 -0.08504 -0.00650 -0.04314 -0.00517 47 2S 0.69973 -1.14324 -0.02829 -0.52700 -0.16963 48 2PX -0.02826 -0.04660 0.03713 0.18097 -0.03932 49 2PY 0.16760 -0.02179 -0.00453 0.02155 0.04853 50 2PZ 0.16274 0.24282 0.00596 0.06977 0.15362 51 3S -2.37539 4.87184 0.13527 2.14616 0.50063 52 3PX 0.44598 -0.74226 0.03532 0.64333 -0.28470 53 3PY -0.58318 2.33065 0.19149 1.39071 0.66966 54 3PZ 0.98941 -0.71990 -0.14074 -0.22919 0.67098 55 4XX -0.43416 -0.06247 -0.06971 -0.03189 -0.18144 56 4YY 0.22808 0.11370 -0.05933 0.12954 0.36787 57 4ZZ 0.04483 0.22327 0.12213 0.03428 -0.09603 58 4XY -0.02199 -0.09731 0.01273 0.07366 -0.15139 59 4XZ -0.17780 0.21691 -0.10248 -0.51681 0.01984 60 4YZ 0.14153 0.25833 0.00415 -0.01093 0.26067 61 5 C 1S -0.03472 0.04613 0.03067 0.02286 -0.00453 62 2S -0.47622 0.46897 0.06899 0.08951 -0.04210 63 2PX -0.11145 0.01293 -0.05004 0.10342 -0.01853 64 2PY -0.03032 -0.02909 -0.02100 0.08701 -0.05715 65 2PZ -0.04808 -0.04041 -0.03475 -0.12422 0.01600 66 3S 2.54579 -4.16270 -0.57619 -1.76589 0.01857 67 3PX 0.12322 -0.14506 -0.16776 0.64883 -0.24847 68 3PY 0.50764 -1.23196 -0.16123 -0.24252 -0.32770 69 3PZ 1.03391 -0.26828 -0.14354 -0.39378 0.28340 70 4XX 0.05457 -0.18850 -0.26532 -0.28365 0.15729 71 4YY -0.01159 -0.02721 0.08211 0.22249 -0.12562 72 4ZZ 0.06011 0.12353 0.18924 0.09071 -0.02525 73 4XY 0.24118 0.00662 -0.23518 -0.35382 0.20407 74 4XZ -0.13757 -0.35396 -0.09012 0.36210 -0.15488 75 4YZ 0.11927 -0.09531 -0.05655 -0.08935 -0.00688 76 6 C 1S 0.03203 -0.05070 0.03560 -0.02507 -0.00157 77 2S 0.48322 -0.49000 0.11865 -0.09920 0.06312 78 2PX 0.10929 -0.00587 -0.03717 -0.14420 0.06122 79 2PY 0.03899 0.00948 -0.02518 0.11180 -0.02410 80 2PZ 0.03789 0.05155 -0.03086 0.04016 0.02827 81 3S -2.60716 4.28580 -0.89462 1.82192 0.01970 82 3PX -0.19415 0.53909 -0.19975 -0.56955 0.44626 83 3PY -0.44899 -0.49960 -0.02910 -0.08680 -0.29629 84 3PZ -1.07462 1.07741 -0.32605 0.57515 0.04714 85 4XX -0.17130 0.08236 -0.33375 0.48281 -0.28615 86 4YY 0.17854 0.03994 0.19694 -0.44693 0.17637 87 4ZZ -0.11102 -0.03034 0.13437 -0.06890 0.07302 88 4XY 0.12136 0.32918 -0.09352 -0.16998 0.14509 89 4XZ -0.06468 0.23088 -0.16467 -0.12339 0.06302 90 4YZ -0.09555 -0.03808 -0.00948 0.12225 -0.07663 91 7 C 1S -0.06910 0.08158 -0.01202 0.04202 0.00531 92 2S -0.78430 1.14926 -0.12972 0.54407 0.19023 93 2PX -0.01205 0.08762 0.04042 -0.15946 0.05335 94 2PY 0.01114 -0.17114 0.02728 -0.10211 -0.07140 95 2PZ -0.15551 -0.11988 -0.00978 -0.03198 -0.17682 96 3S 2.94183 -4.77664 0.52798 -2.16905 -0.59450 97 3PX -0.06525 -0.22617 0.16345 -1.12718 0.15920 98 3PY -1.16303 2.25989 -0.28982 0.80966 0.03022 99 3PZ 0.10418 -1.14964 0.18412 -0.71975 -1.04853 100 4XX 0.25107 0.12072 -0.01904 -0.16762 0.24969 101 4YY 0.04834 -0.12210 -0.02703 0.16541 0.07415 102 4ZZ -0.11638 -0.28157 0.07263 -0.14483 -0.43873 103 4XY 0.27242 -0.19327 -0.10054 0.39176 -0.03671 104 4XZ -0.01315 -0.13950 -0.09034 0.25776 -0.12127 105 4YZ 0.07793 -0.09120 0.08415 0.10272 0.29167 106 8 C 1S 0.03104 -0.01922 0.00504 0.00849 0.00167 107 2S 0.37242 -0.01813 -0.04171 0.05486 0.10385 108 2PX -0.08704 0.14617 -0.00981 -0.00843 0.00092 109 2PY -0.19599 0.19688 0.00508 -0.06919 -0.01902 110 2PZ -0.02662 0.07573 -0.00379 0.02633 0.02069 111 3S -2.02592 1.79692 -0.11014 0.28409 -0.09726 112 3PX -0.80004 0.80380 -0.06287 -0.04944 -0.18106 113 3PY -0.48191 0.21887 0.05493 -0.66657 -0.16738 114 3PZ -0.39200 0.08770 -0.01752 -0.06721 0.08744 115 4XX -0.17474 0.23726 -0.02951 -0.10560 -0.09757 116 4YY 0.26343 -0.24606 0.07081 0.00951 -0.00956 117 4ZZ -0.14326 -0.03837 0.01852 0.09292 0.04682 118 4XY -0.29893 0.20685 0.03495 -0.29874 -0.10288 119 4XZ -0.14811 0.03933 0.01773 -0.07742 0.00694 120 4YZ -0.34421 0.16096 0.03771 -0.16871 -0.03828 121 9 C 1S -0.03331 0.01462 0.00318 -0.01018 -0.00431 122 2S -0.39267 -0.00114 -0.05572 -0.05905 -0.11810 123 2PX 0.14798 -0.18354 -0.00124 0.03748 0.00904 124 2PY -0.07466 0.01786 -0.00550 -0.05988 -0.03071 125 2PZ 0.13242 -0.16648 0.00431 0.03132 0.00420 126 3S 2.04586 -1.71571 0.02830 -0.26748 0.14091 127 3PX 0.85891 -0.77580 -0.04302 0.27591 0.25522 128 3PY 0.25623 -0.18622 -0.01098 -0.33483 -0.07757 129 3PZ 0.52918 -0.05909 0.04788 0.51318 0.03661 130 4XX 0.23415 -0.25923 -0.01599 0.21337 0.12632 131 4YY -0.33627 0.26094 0.00708 -0.24096 -0.06963 132 4ZZ 0.16521 0.04003 0.06898 0.02520 -0.00533 133 4XY 0.18653 -0.12564 -0.01842 0.02600 0.00720 134 4XZ 0.22830 -0.04324 0.05297 0.25580 0.06442 135 4YZ 0.34809 -0.16142 -0.00526 0.07414 0.01067 136 10 H 1S -0.17785 0.11365 0.00266 0.06760 -0.00461 137 2S 0.05220 0.15332 0.00090 0.05468 0.00379 138 11 H 1S -0.07231 0.05216 0.00154 0.02038 -0.00148 139 2S -0.05153 -0.08173 -0.01900 -0.01549 0.01991 140 12 H 1S 0.06601 -0.05287 0.01272 -0.01786 0.00839 141 2S 0.04473 0.07363 -0.00943 0.01536 -0.02276 142 13 H 1S 0.18350 -0.11529 0.00900 -0.06903 -0.00281 143 2S -0.02216 -0.13756 -0.00163 -0.04940 -0.00162 144 14 H 1S 0.02860 -0.02715 0.05624 -0.02211 0.02185 145 2S 0.20274 -0.51405 0.06804 -0.27608 -0.12986 146 15 C 1S -0.03299 0.07465 -0.03451 0.03850 -0.01541 147 2S -0.05833 0.36943 -0.46415 0.22800 0.02769 148 2PX -0.03838 -0.00441 -0.19044 -0.06223 0.03430 149 2PY -0.08502 0.42676 -0.25581 0.29818 -0.10368 150 2PZ 0.00048 -0.04026 -0.05470 -0.09481 0.05115 151 3S 1.01266 -2.18210 -0.33370 -0.29448 -0.13969 152 3PX -0.71384 0.41019 -0.31565 -0.29120 0.08200 153 3PY -0.38725 1.23051 -0.74872 1.07550 -0.15573 154 3PZ -0.23750 -0.21786 -0.04607 -0.50250 0.09248 155 4XX -0.04087 -0.11601 -0.18933 0.10704 -0.07747 156 4YY 0.15391 0.06330 0.17396 -0.10061 0.04761 157 4ZZ -0.21035 0.12419 -0.09371 0.07472 -0.06140 158 4XY -0.03085 -0.08293 0.52233 0.02533 -0.12422 159 4XZ -0.08515 -0.26896 -0.18413 -0.04613 -0.01081 160 4YZ -0.11418 0.06826 0.38102 -0.09961 -0.00159 161 16 O 1S 0.00283 0.00034 -0.06963 -0.00114 -0.00080 162 2S 0.02409 -0.01990 -0.01655 -0.01086 -0.03398 163 2PX 0.01422 0.00613 -0.15770 0.01727 0.00332 164 2PY -0.03836 -0.01058 -0.05709 -0.08371 0.01284 165 2PZ 0.02324 0.00682 -0.05092 0.03627 -0.00480 166 3S -0.11169 0.05687 0.77033 0.04606 0.09546 167 3PX -0.00804 -0.18356 -0.09046 -0.13899 0.03492 168 3PY 0.25226 0.74189 0.03166 0.60279 -0.21371 169 3PZ -0.11117 -0.33488 0.07013 -0.26326 0.10149 170 4XX -0.01832 0.13940 -0.21863 0.08250 -0.07083 171 4YY 0.11468 -0.13172 0.29385 -0.13733 0.13405 172 4ZZ -0.09727 -0.00311 -0.30119 0.05102 -0.06977 173 4XY 0.03153 -0.35632 -0.16962 -0.23063 0.11945 174 4XZ -0.05045 0.16644 0.01626 0.12135 -0.08532 175 4YZ 0.14175 0.04081 -0.37812 -0.04499 0.03679 176 17 C 1S 0.02961 -0.07099 -0.03329 -0.03864 0.01608 177 2S 0.00928 -0.36710 -0.46561 -0.26809 -0.19758 178 2PX 0.06592 -0.15497 -0.24764 -0.08069 -0.05863 179 2PY 0.00883 0.28817 0.06292 0.28748 -0.03498 180 2PZ 0.01944 -0.27421 -0.19166 -0.17528 -0.04500 181 3S -0.88560 2.05694 -0.37435 0.17999 -0.23568 182 3PX 0.69994 -0.78398 -0.48512 -0.17686 -0.04769 183 3PY 0.23638 0.73815 0.29725 1.12021 -0.13965 184 3PZ 0.30282 -0.61708 -0.46780 -0.46073 -0.01797 185 4XX -0.00921 0.06940 0.15782 -0.12181 0.08651 186 4YY 0.05094 0.08271 -0.55242 -0.06001 0.02276 187 4ZZ 0.06659 -0.21376 0.29446 0.10039 -0.00692 188 4XY 0.14634 0.17184 -0.30762 0.00746 -0.00145 189 4XZ -0.00561 0.17844 0.33130 0.07331 -0.04658 190 4YZ 0.23070 0.02915 0.05651 -0.07370 0.13075 191 18 O 1S -0.01345 0.00398 -0.00494 0.00246 -0.00965 192 2S 0.20741 -0.20854 -0.50985 -0.46483 0.04340 193 2PX -0.05577 -0.03051 0.01812 0.02000 -0.03316 194 2PY 0.07119 0.01647 -0.08488 -0.02406 0.02530 195 2PZ -0.05868 -0.00423 0.04957 0.04919 -0.03692 196 3S -0.15594 0.59006 1.33095 1.29925 0.09045 197 3PX -0.02005 -0.05614 -0.33692 -0.29687 0.00096 198 3PY -0.13482 0.20096 0.35991 0.24680 0.09715 199 3PZ 0.00064 -0.20980 -0.46362 -0.49267 0.00021 200 4XX -0.03828 -0.00366 0.10900 -0.01006 -0.03741 201 4YY -0.07761 0.08746 -0.23559 -0.05554 0.04289 202 4ZZ 0.04711 0.03816 0.15802 0.17751 -0.04563 203 4XY -0.02885 -0.14319 -0.17936 -0.08199 -0.08279 204 4XZ -0.00939 0.10883 0.37337 0.21039 0.01813 205 4YZ -0.00451 -0.22490 -0.18822 -0.22209 -0.05866 206 19 O 1S 0.01264 -0.00614 -0.00443 -0.00373 0.00695 207 2S -0.21177 0.22288 -0.52843 0.43250 -0.16662 208 2PX 0.01415 0.02171 -0.02182 -0.00175 0.01874 209 2PY 0.09126 0.01740 0.10044 -0.05812 0.03017 210 2PZ -0.01269 -0.01288 -0.02825 -0.01566 0.00572 211 3S 0.20683 -0.59873 1.37981 -1.19761 0.32865 212 3PX 0.08929 -0.04830 -0.11014 0.11063 -0.02710 213 3PY -0.10932 0.29134 -0.68105 0.54361 -0.18290 214 3PZ 0.09486 0.00595 -0.01696 0.13606 -0.02647 215 4XX 0.02734 0.06629 -0.10053 0.06802 0.00032 216 4YY 0.04791 -0.32188 0.36538 -0.31114 0.10848 217 4ZZ 0.00266 0.11781 -0.22967 0.13248 -0.02631 218 4XY -0.03580 -0.03497 0.32181 -0.07472 -0.04163 219 4XZ 0.04060 0.02186 0.01530 -0.02550 0.02591 220 4YZ -0.08532 0.05275 0.18068 -0.12585 0.01789 221 20 H 1S 0.04790 -0.10694 -0.04631 -0.00148 -0.03572 222 2S -0.18813 -0.02376 -0.00093 -0.01442 -0.00925 223 21 H 1S -0.04573 0.10826 -0.04838 0.00164 0.04294 224 2S 0.21079 0.03816 0.01794 0.02407 0.02624 225 22 H 1S -0.02293 0.03187 0.06108 0.02101 -0.03384 226 2S -0.26795 0.48608 0.04471 0.28025 0.16350 227 23 H 1S 0.04343 -0.02360 -0.01629 0.01908 0.07941 228 2S -0.30484 -0.60023 -0.03437 -0.27783 -0.07712 229 24 H 1S -0.03244 -0.03342 0.00697 -0.02562 0.01102 230 2S -0.00614 0.01719 0.04110 -0.01132 0.00316 231 25 H 1S -0.05298 -0.02760 0.00064 0.01776 0.00454 232 2S 0.00612 0.01816 0.00878 -0.03816 0.00365 233 26 H 1S 0.04883 0.03676 0.00141 -0.02955 -0.07204 234 2S 0.12802 0.06176 0.02343 0.00983 -0.02965 216 217 218 219 220 V V V V V Eigenvalues -- 2.96613 2.97568 3.02152 3.14314 3.23075 1 1 C 1S -0.00625 0.03819 0.03697 0.00535 0.00316 2 2S 0.02953 -0.07641 -0.16611 0.02349 -0.03829 3 2PX 0.00657 -0.03443 -0.03766 -0.00251 -0.00494 4 2PY -0.01546 0.15317 0.17394 0.01562 0.00803 5 2PZ -0.01036 0.10827 0.12155 0.01149 0.01250 6 3S -0.00558 -0.43328 -0.56964 -0.26602 -0.02975 7 3PX -0.01966 -0.08373 -0.04692 -0.03635 -0.00197 8 3PY -0.10083 0.13326 0.25728 0.05780 0.02128 9 3PZ 0.01653 0.11696 0.16320 0.08921 0.01249 10 4XX -0.03323 0.15895 0.17554 0.00458 0.01250 11 4YY 0.06195 -0.04715 -0.04733 0.00846 0.00293 12 4ZZ -0.06036 0.01582 0.01993 -0.00535 0.01947 13 4XY -0.01134 0.09020 0.04737 0.01333 0.00990 14 4XZ 0.00030 0.06361 0.07498 0.00539 0.00278 15 4YZ 0.03514 -0.26631 -0.32503 -0.02084 -0.01011 16 2 C 1S 0.00987 -0.04615 -0.00744 -0.00324 -0.00067 17 2S -0.07112 -0.21766 0.09655 -0.01622 -0.07770 18 2PX -0.01772 -0.03974 0.00055 -0.01104 -0.00725 19 2PY -0.03281 -0.00769 0.03647 -0.01789 0.01405 20 2PZ -0.00294 0.05087 0.10331 -0.01998 -0.00221 21 3S -0.34083 2.53025 -0.16553 0.09623 0.07006 22 3PX 0.00385 0.29588 -0.12038 -0.02167 0.00434 23 3PY 0.20417 -0.64425 0.30803 0.30903 0.18230 24 3PZ -0.09527 -0.27265 0.84540 -0.00166 -0.17511 25 4XX 0.02402 -0.19542 -0.01549 -0.01311 0.00046 26 4YY 0.04094 0.40509 0.53503 0.00434 -0.00587 27 4ZZ 0.03918 -0.22190 -0.61685 0.00650 0.04141 28 4XY 0.01327 -0.17029 -0.13987 0.01108 0.01280 29 4XZ 0.02363 -0.04364 -0.13086 0.00327 -0.01258 30 4YZ -0.12686 0.36544 0.52213 0.02824 0.03838 31 3 C 1S -0.00834 0.01979 -0.02169 -0.00372 -0.00029 32 2S -0.24489 0.21807 -0.05111 -0.03373 0.07207 33 2PX -0.01065 0.03530 0.00096 -0.01214 -0.00036 34 2PY -0.07380 -0.04976 -0.06624 0.00370 0.01510 35 2PZ 0.00647 0.06097 0.00452 -0.01609 -0.00979 36 3S 0.76344 -1.92715 0.74680 0.29281 -0.01995 37 3PX 0.03993 -0.02869 0.15843 0.01256 -0.08435 38 3PY 0.01083 -0.42630 -0.48868 0.04418 0.21304 39 3PZ -0.34486 0.97149 -0.49647 -0.08240 0.01100 40 4XX -0.03325 0.12340 -0.06943 -0.00526 -0.01092 41 4YY 0.02020 0.13128 0.40375 0.01718 0.01875 42 4ZZ 0.11099 -0.33855 -0.37781 -0.00011 -0.04254 43 4XY -0.02401 -0.04599 -0.10541 -0.01165 0.00268 44 4XZ -0.02057 -0.05511 -0.10722 0.00683 0.00423 45 4YZ 0.06762 0.27604 0.54559 0.01360 -0.02759 46 4 C 1S -0.00418 -0.01551 0.03016 0.00318 0.00238 47 2S 0.14224 -0.55028 0.00230 0.02996 0.17384 48 2PX 0.04345 0.04174 -0.00361 -0.03507 0.00955 49 2PY -0.01360 -0.04805 -0.10216 -0.02094 0.03300 50 2PZ -0.07111 0.02067 -0.12116 0.00862 -0.02889 51 3S -0.34665 1.81759 -0.89538 -0.26175 -0.39406 52 3PX 0.16638 -0.09491 0.00763 -0.06821 0.19056 53 3PY -0.22983 0.93470 -0.43482 -0.06843 0.02481 54 3PZ -0.07697 -0.45316 -0.36421 0.08131 0.44530 55 4XX 0.09752 0.06879 0.16042 0.02405 -0.04206 56 4YY -0.10916 0.18030 0.12185 -0.01504 0.04020 57 4ZZ -0.08656 -0.02450 -0.23719 -0.04572 -0.09640 58 4XY 0.06493 -0.02562 0.00671 -0.01984 0.00940 59 4XZ -0.05432 -0.02201 0.13512 0.09621 -0.04631 60 4YZ -0.08711 -0.09259 -0.32650 0.00751 0.01968 61 5 C 1S -0.03079 0.03670 -0.02705 0.00842 0.00052 62 2S 0.22461 0.15748 -0.21247 -0.27366 0.33360 63 2PX 0.10746 0.04641 0.00868 -0.07086 0.10426 64 2PY 0.03578 0.01932 -0.00286 -0.03885 -0.05465 65 2PZ 0.05633 -0.04029 0.00809 -0.03489 0.09719 66 3S 0.19718 -1.90398 1.37174 0.78505 -0.98258 67 3PX 0.28453 -0.22476 0.32107 0.13029 0.26370 68 3PY 0.08403 -0.33334 0.56940 0.02013 -0.80526 69 3PZ 0.03700 -0.49208 0.14757 0.21398 0.47785 70 4XX 0.08855 -0.10772 0.01675 0.03947 0.22367 71 4YY -0.15440 0.08371 0.09491 0.11330 -0.34006 72 4ZZ -0.12980 0.10250 -0.10893 -0.00592 -0.05074 73 4XY 0.04568 -0.11648 0.19669 0.08314 0.20051 74 4XZ 0.28352 -0.03429 0.03377 -0.14907 0.15775 75 4YZ 0.06527 -0.07359 0.00869 0.01530 0.21850 76 6 C 1S -0.02517 -0.04872 0.02269 0.00543 -0.00091 77 2S 0.19043 -0.13759 0.19272 -0.31215 -0.33535 78 2PX 0.10117 -0.03440 -0.01118 -0.07617 -0.06272 79 2PY 0.04255 0.04475 -0.00279 -0.02882 -0.13698 80 2PZ 0.03044 0.03307 -0.00144 -0.04219 -0.01318 81 3S -0.06509 2.10399 -1.24450 0.94669 0.99413 82 3PX 0.15716 0.31471 -0.45508 0.11230 0.11590 83 3PY 0.15572 0.29217 0.16215 0.22869 -0.92660 84 3PZ 0.02447 0.60521 -0.40529 0.22916 0.27848 85 4XX 0.02309 0.13692 -0.11680 0.13216 -0.20313 86 4YY -0.03823 -0.16720 0.07544 -0.05775 0.30261 87 4ZZ -0.13589 -0.09242 0.03400 0.08359 0.06729 88 4XY 0.22554 0.12562 0.07003 -0.13152 -0.24985 89 4XZ 0.14825 0.10346 -0.18599 -0.02383 -0.12740 90 4YZ 0.06577 0.04503 0.03874 -0.05158 -0.23095 91 7 C 1S -0.00738 0.01335 -0.03087 0.00459 -0.00198 92 2S 0.04820 0.60712 0.03791 0.08590 -0.16655 93 2PX 0.04120 -0.00738 0.01882 -0.04264 -0.02436 94 2PY 0.00410 -0.07067 0.01477 0.00718 0.03797 95 2PZ -0.01456 0.03364 0.17201 0.01110 -0.00271 96 3S -0.02411 -1.98137 0.76269 -0.38656 0.36747 97 3PX 0.12309 -0.29186 0.10059 -0.11317 -0.11606 98 3PY -0.09303 0.93650 -0.03618 0.04513 -0.37143 99 3PZ -0.00265 -0.35541 0.57512 -0.00847 -0.31176 100 4XX 0.07958 -0.09093 -0.18115 -0.02786 0.01935 101 4YY -0.06083 -0.17403 -0.27665 0.00027 0.07513 102 4ZZ -0.07225 0.00610 0.39473 -0.03452 0.00022 103 4XY -0.03199 0.03649 -0.03058 0.08930 0.03878 104 4XZ -0.02891 -0.00790 -0.08529 0.05091 -0.00707 105 4YZ -0.07124 0.10044 0.18141 -0.01271 0.07346 106 8 C 1S -0.00699 -0.01436 -0.00313 0.00348 0.01539 107 2S -0.03610 -0.04206 0.07912 -0.08253 0.12205 108 2PX 0.00041 0.04735 0.01803 -0.00833 -0.01705 109 2PY 0.01100 0.04591 0.02017 -0.00135 -0.02357 110 2PZ -0.00098 0.04238 0.00967 -0.00725 -0.01556 111 3S 0.09803 0.92054 -0.22565 0.11473 -0.73338 112 3PX 0.06347 0.41498 0.00790 0.04166 -0.37211 113 3PY 0.04323 -0.08867 0.23556 -0.00672 -0.06479 114 3PZ 0.01928 0.02985 -0.05578 0.02572 0.00674 115 4XX 0.04109 0.05146 -0.00220 0.02470 -0.06712 116 4YY -0.01559 -0.09383 -0.05151 0.00078 0.05012 117 4ZZ -0.03589 0.00995 -0.00132 0.03159 0.01498 118 4XY 0.03033 -0.01638 0.03397 -0.01809 -0.04215 119 4XZ -0.00064 0.04531 0.08241 -0.00322 -0.01541 120 4YZ -0.00812 0.01927 0.06888 -0.01665 -0.01927 121 9 C 1S -0.00521 0.00851 -0.00080 0.00564 -0.01561 122 2S 0.01332 0.02778 -0.08300 -0.06434 -0.12427 123 2PX 0.00637 -0.04279 -0.01353 -0.00968 0.02182 124 2PY 0.00237 -0.01914 0.00111 -0.00841 0.00177 125 2PZ 0.01678 -0.04409 -0.00842 -0.00572 0.02516 126 3S 0.12342 -0.81836 0.29755 0.03405 0.73821 127 3PX 0.08544 -0.30469 -0.07359 0.03295 0.36878 128 3PY 0.02223 -0.20104 0.18625 0.00243 0.08648 129 3PZ -0.05453 0.12108 -0.11264 -0.01812 -0.01159 130 4XX 0.02164 -0.00372 0.01474 0.01671 0.06862 131 4YY -0.00923 0.00910 0.04837 0.03483 -0.04243 132 4ZZ -0.04425 0.01095 -0.02098 0.00426 -0.02403 133 4XY 0.01352 -0.07206 -0.06449 0.00062 0.03625 134 4XZ -0.01788 0.03273 -0.05258 -0.02544 0.01618 135 4YZ -0.00506 -0.04273 -0.04392 0.00205 0.03072 136 10 H 1S -0.01225 0.07278 -0.01506 -0.00713 -0.05916 137 2S -0.03142 0.05082 -0.02343 -0.01317 -0.04105 138 11 H 1S 0.00006 0.01687 -0.02116 -0.00467 -0.01749 139 2S 0.04719 -0.06093 0.00741 0.00537 0.05560 140 12 H 1S -0.00987 -0.01405 0.02701 -0.01081 0.01746 141 2S 0.02106 0.05710 -0.01975 -0.00502 -0.05663 142 13 H 1S 0.00140 -0.07798 0.01051 -0.01061 0.05867 143 2S -0.00363 -0.05028 0.02002 -0.00353 0.04195 144 14 H 1S 0.00523 0.04292 0.09913 0.01938 0.03811 145 2S 0.06196 -0.21288 -0.04552 0.00589 0.04346 146 15 C 1S 0.00931 0.00351 -0.00452 0.02097 0.00603 147 2S -0.79450 -0.75607 0.44282 -0.44531 -0.28266 148 2PX -0.08906 -0.08985 0.04053 0.03287 -0.32457 149 2PY -0.54770 -0.71792 0.38960 -0.43507 0.16538 150 2PZ 0.02959 0.06954 -0.03943 0.06631 -0.19654 151 3S -1.41403 -2.37543 1.15664 -0.92122 -0.74895 152 3PX -0.11961 0.47927 -0.14581 0.67687 -0.54779 153 3PY -0.51035 -0.41793 0.01426 0.18863 0.62233 154 3PZ -0.02425 0.11340 -0.03814 0.26723 -0.38867 155 4XX 0.05364 0.16250 -0.18081 0.67514 0.04242 156 4YY -0.24197 -0.52858 0.35772 -0.67918 -0.06789 157 4ZZ 0.31663 0.33615 -0.21361 0.26586 -0.00123 158 4XY -0.40667 -0.12566 0.06993 0.22313 0.79526 159 4XZ -0.13373 -0.11761 0.00383 0.18643 -0.16432 160 4YZ -0.12429 0.04394 -0.04193 0.30137 0.42334 161 16 O 1S 0.00134 0.00008 0.00043 0.01191 0.00037 162 2S -0.32539 -0.06069 -0.01162 0.06860 -0.00225 163 2PX 0.06633 0.00334 -0.00018 0.02833 -0.02357 164 2PY 0.01682 0.02364 0.00515 0.01081 0.11116 165 2PZ 0.00811 -0.01079 -0.00234 0.00716 -0.04810 166 3S 0.76730 0.16242 0.03868 -0.34283 0.00491 167 3PX -0.07454 -0.08191 0.01055 -0.43571 -0.29960 168 3PY -0.00824 0.18638 -0.14563 -0.17803 1.38610 169 3PZ 0.07412 -0.07336 0.05666 -0.19182 -0.60256 170 4XX -0.09804 0.05379 -0.03713 0.58313 0.31991 171 4YY 0.13067 -0.07885 0.08782 -0.43014 -0.52401 172 4ZZ -0.04767 0.03494 -0.04154 -0.00429 0.20829 173 4XY -0.06782 -0.17582 0.08380 0.37586 -0.79539 174 4XZ -0.02231 0.08576 -0.05422 0.18051 0.43205 175 4YZ -0.11996 -0.05311 0.03652 0.35318 -0.14383 176 17 C 1S 0.00613 0.00197 0.00706 0.02006 -0.00572 177 2S -0.91462 0.60641 -0.38516 -0.44242 0.28657 178 2PX -0.34862 0.26556 -0.16906 -0.13151 0.21351 179 2PY 0.43230 -0.40303 0.22574 0.32407 0.35155 180 2PZ -0.44529 0.36900 -0.21851 -0.26456 -0.02743 181 3S -1.76009 1.81072 -1.22925 -0.81431 0.73709 182 3PX -0.26270 -0.26912 0.19593 0.61153 0.24202 183 3PY 0.29403 -0.46801 0.04010 0.27395 0.84110 184 3PZ -0.37938 0.21176 0.03698 0.22319 -0.24203 185 4XX -0.15613 -0.08656 0.06410 0.55733 -0.47365 186 4YY 0.24125 0.10244 -0.01301 -0.27899 0.70907 187 4ZZ 0.00941 0.02942 -0.02363 -0.01673 -0.21007 188 4XY 0.14094 -0.15070 0.14838 0.49956 0.28189 189 4XZ -0.53482 0.24308 -0.18769 -0.03006 -0.39990 190 4YZ 0.19876 -0.35466 0.25902 0.56548 -0.30442 191 18 O 1S -0.01007 0.00275 -0.00485 -0.00874 0.00887 192 2S -0.59986 0.41007 -0.17133 0.08669 -0.04088 193 2PX -0.04734 0.06486 -0.04837 -0.12429 0.03391 194 2PY 0.11278 -0.12846 0.09883 0.19537 0.02352 195 2PZ -0.08884 0.11967 -0.08888 -0.19283 0.01571 196 3S 2.08763 -1.59245 0.78060 0.39215 0.11039 197 3PX -0.41376 0.52392 -0.27159 -0.39997 0.10817 198 3PY 0.91999 -0.58687 0.34047 0.06003 0.05836 199 3PZ -0.73674 0.59151 -0.32217 -0.28939 0.01886 200 4XX -0.26942 0.03098 -0.04237 0.12014 -0.21295 201 4YY 0.45639 -0.18345 0.13182 -0.13042 0.33832 202 4ZZ 0.08707 -0.15558 0.07531 0.20570 -0.04966 203 4XY -0.34283 0.38761 -0.22190 -0.32891 0.12616 204 4XZ 0.24347 -0.34991 0.18495 0.37549 -0.25523 205 4YZ -0.70972 0.47547 -0.30258 -0.21574 -0.10278 206 19 O 1S -0.01084 -0.00738 0.00355 -0.00869 -0.00902 207 2S -0.50015 -0.53436 0.19644 0.07652 0.04274 208 2PX 0.00411 0.00441 -0.00057 -0.01801 -0.03646 209 2PY -0.10772 -0.20814 0.14933 -0.30127 -0.00800 210 2PZ 0.02310 0.02163 -0.01750 0.02320 -0.02285 211 3S 1.75839 2.05306 -0.85990 0.43657 -0.11798 212 3PX 0.08076 -0.18503 0.07798 -0.31582 -0.11879 213 3PY -1.01419 -1.22066 0.58071 -0.39991 -0.01129 214 3PZ 0.16803 0.12886 -0.05104 -0.10120 -0.03596 215 4XX -0.30193 -0.33273 0.16766 -0.16412 0.00168 216 4YY 0.75925 0.96333 -0.52071 0.51858 -0.00527 217 4ZZ -0.26468 -0.29503 0.15843 -0.15318 -0.07469 218 4XY -0.18082 0.11018 -0.05216 0.35706 0.40081 219 4XZ 0.02471 -0.01722 0.01490 -0.05696 -0.02733 220 4YZ -0.25646 -0.18208 0.08693 0.10175 0.18244 221 20 H 1S 0.04790 -0.02733 0.01368 -0.04185 -0.05874 222 2S 0.02122 0.04644 -0.01341 0.05370 0.02755 223 21 H 1S 0.03135 0.03450 -0.01256 -0.04147 0.05916 224 2S -0.00037 -0.03764 0.01976 0.03638 -0.02788 225 22 H 1S -0.00060 -0.03717 -0.09301 0.00772 -0.03655 226 2S -0.02388 0.23377 0.07599 -0.00898 -0.03925 227 23 H 1S -0.04009 0.16840 0.23766 -0.00324 0.01936 228 2S 0.08010 -0.30085 -0.04970 -0.00097 0.01190 229 24 H 1S -0.01705 -0.04804 -0.00868 0.00086 -0.00488 230 2S 0.08816 0.12211 -0.01621 0.03913 -0.01400 231 25 H 1S 0.00320 -0.00507 -0.03008 0.01532 -0.00463 232 2S 0.01094 0.01621 0.01944 -0.00410 0.00103 233 26 H 1S 0.02226 -0.01307 -0.04789 0.00737 -0.00182 234 2S -0.01947 0.04072 0.03659 -0.00409 0.00092 221 222 223 224 225 V V V V V Eigenvalues -- 3.99957 4.08315 4.15162 4.20083 4.24156 1 1 C 1S 0.05761 -0.11484 -0.16721 -0.28419 -0.26777 2 2S -0.32112 0.60033 1.02502 1.62705 1.53398 3 2PX -0.01137 0.01392 -0.00175 -0.00973 0.00272 4 2PY 0.03217 -0.03426 -0.01704 -0.00166 0.04320 5 2PZ 0.01847 -0.01624 -0.00433 0.00578 0.02883 6 3S -0.35175 0.61782 0.47842 1.53687 1.52231 7 3PX -0.02105 0.03462 -0.02388 0.03331 -0.08662 8 3PY -0.02307 0.02004 0.15021 -0.03786 -0.09036 9 3PZ 0.05284 -0.02422 0.02580 0.00371 -0.04400 10 4XX 0.21280 -0.43025 -0.65137 -1.09355 -1.01879 11 4YY 0.19225 -0.37328 -0.62037 -1.05256 -1.04785 12 4ZZ 0.19374 -0.40023 -0.63376 -1.07491 -1.02633 13 4XY 0.01557 -0.02410 -0.00354 -0.00010 0.00330 14 4XZ 0.01100 -0.01959 -0.01024 -0.00321 0.02725 15 4YZ -0.03297 0.03702 0.04162 0.00167 -0.03302 16 2 C 1S 0.09071 -0.10335 -0.15514 -0.14003 -0.01586 17 2S -0.68892 0.79662 1.02708 0.60713 -0.14362 18 2PX -0.02949 0.01382 0.00320 -0.02555 -0.06620 19 2PY -0.00025 0.10938 -0.05001 0.07643 0.09841 20 2PZ -0.02441 -0.02918 0.01417 0.09484 0.03787 21 3S -0.08636 -0.10083 0.20369 0.51476 0.34317 22 3PX 0.04964 -0.17407 -0.02594 0.07827 0.27195 23 3PY 0.19517 0.03793 0.21874 -0.29815 -0.36817 24 3PZ -0.03226 -0.00716 0.27290 -0.36940 -0.24782 25 4XX 0.36207 -0.43097 -0.60893 -0.50570 -0.02146 26 4YY 0.34958 -0.49802 -0.55677 -0.38888 0.05483 27 4ZZ 0.39118 -0.44123 -0.56410 -0.49244 0.01568 28 4XY 0.01337 0.04452 -0.00815 -0.01520 -0.06090 29 4XZ -0.01693 -0.00667 -0.00391 -0.00545 -0.06207 30 4YZ 0.00076 0.03179 0.02081 0.10513 0.11868 31 3 C 1S 0.08680 0.08556 -0.14410 -0.06045 0.08758 32 2S -0.68254 -0.67487 1.08204 0.34911 -0.44543 33 2PX -0.01694 -0.05146 -0.01253 -0.01109 -0.00817 34 2PY -0.03332 0.09414 0.05611 0.06218 0.00471 35 2PZ -0.01075 -0.04483 -0.01989 0.03750 -0.01096 36 3S -0.02548 -0.01039 0.11753 0.09492 -0.63433 37 3PX 0.04879 0.13131 0.01613 -0.01477 0.01920 38 3PY 0.03039 0.07046 -0.10991 -0.08690 -0.16019 39 3PZ 0.04034 -0.17457 0.06525 -0.12453 0.14479 40 4XX 0.35819 0.35092 -0.56820 -0.21199 0.34048 41 4YY 0.34946 0.44185 -0.54511 -0.17649 0.36057 42 4ZZ 0.36948 0.39713 -0.61131 -0.26258 0.28409 43 4XY -0.01963 -0.00191 -0.01450 -0.01434 -0.02124 44 4XZ -0.01462 -0.02255 0.00518 0.03539 -0.04672 45 4YZ 0.02184 -0.03954 0.02661 -0.00595 0.01860 46 4 C 1S -0.01599 0.03787 -0.15827 0.06144 0.00150 47 2S 0.05554 -0.12047 0.81521 -0.29703 0.08120 48 2PX 0.03349 0.00431 0.00525 0.03065 -0.04405 49 2PY -0.02882 -0.01509 -0.01010 0.02856 -0.01026 50 2PZ -0.02835 -0.06470 0.01066 0.02025 -0.00489 51 3S 0.16157 -0.33395 0.49212 -0.27657 -0.01715 52 3PX -0.04253 0.25004 -0.10086 -0.05778 0.14035 53 3PY 0.06653 -0.04192 0.15341 -0.13480 -0.06426 54 3PZ -0.04925 0.23405 -0.07241 0.03056 -0.04165 55 4XX -0.00137 0.14801 -0.49281 0.15891 0.00739 56 4YY -0.09840 0.06343 -0.60168 0.27214 -0.04944 57 4ZZ -0.06653 0.09698 -0.51658 0.19265 -0.03513 58 4XY 0.01267 0.02699 0.02663 -0.00614 -0.01689 59 4XZ -0.00508 0.00191 -0.01692 -0.06176 0.09025 60 4YZ -0.03059 -0.03413 0.06518 -0.01137 -0.01273 61 5 C 1S -0.04686 0.06474 -0.17071 -0.01051 0.14800 62 2S 0.55494 -0.15094 0.94490 0.08671 -0.72561 63 2PX 0.02081 -0.06669 0.01951 0.02296 -0.03613 64 2PY 0.00867 -0.00677 -0.00066 0.01339 0.00157 65 2PZ -0.00647 -0.00549 -0.00498 0.01505 0.00769 66 3S -0.49192 -0.87587 0.62315 0.01946 -0.54644 67 3PX -0.28230 0.22237 0.08619 -0.34886 0.02256 68 3PY -0.14151 -0.68502 -0.03822 -0.11007 0.31025 69 3PZ -0.10399 0.15277 0.07567 -0.17548 -0.09899 70 4XX -0.27724 0.10903 -0.60682 -0.03825 0.52568 71 4YY -0.24388 0.18259 -0.61640 -0.06133 0.51456 72 4ZZ -0.19926 0.22180 -0.60170 -0.07055 0.53471 73 4XY -0.07370 -0.09555 0.02180 -0.01676 0.02417 74 4XZ -0.03660 -0.01550 0.02765 0.01818 -0.07001 75 4YZ -0.00152 -0.00574 -0.05805 0.00027 0.06259 76 6 C 1S -0.05036 -0.06269 -0.13874 0.03003 0.18066 77 2S 0.56776 0.16273 0.79657 -0.07937 -0.80377 78 2PX 0.02008 0.06010 0.01581 0.01245 -0.05037 79 2PY -0.00144 0.02409 -0.00954 -0.00202 -0.01153 80 2PZ -0.00019 -0.00352 -0.00625 0.01978 0.02267 81 3S -0.45317 0.80434 0.37296 -0.30218 -0.87564 82 3PX -0.29743 0.06494 0.08877 -0.21667 0.25808 83 3PY -0.05493 -0.62429 0.27371 0.09662 0.08593 84 3PZ -0.12629 0.41686 -0.03998 -0.25088 -0.07060 85 4XX -0.31177 -0.06718 -0.52015 0.04323 0.60479 86 4YY -0.22414 -0.22391 -0.43265 0.12193 0.57288 87 4ZZ -0.21656 -0.21347 -0.54533 0.06914 0.67540 88 4XY -0.00594 -0.00561 -0.01248 0.02150 -0.03167 89 4XZ -0.06953 0.05429 0.00943 -0.01601 -0.04463 90 4YZ 0.00067 0.01227 0.00866 -0.01605 0.01642 91 7 C 1S -0.01819 -0.05360 -0.13827 0.06505 0.00044 92 2S 0.08997 0.24316 0.69561 -0.35566 0.02173 93 2PX 0.02704 -0.01080 -0.00374 0.02459 -0.04778 94 2PY 0.00589 0.04444 0.02165 0.02621 0.00233 95 2PZ -0.04751 0.06179 0.01224 0.02985 -0.01670 96 3S 0.08169 0.34303 0.59324 -0.36453 -0.13795 97 3PX -0.02303 -0.18015 0.03583 -0.00967 0.16804 98 3PY -0.08971 -0.30320 -0.24125 -0.03307 0.01422 99 3PZ -0.00254 -0.15468 0.14478 -0.10411 -0.11886 100 4XX -0.01934 -0.21104 -0.40847 0.21505 -0.01190 101 4YY -0.06682 -0.18025 -0.55201 0.20521 0.00934 102 4ZZ -0.12342 -0.11315 -0.42069 0.28938 -0.01496 103 4XY 0.01120 0.00734 0.03656 -0.05767 0.08458 104 4XZ -0.01917 0.00415 -0.01479 -0.02141 0.02533 105 4YZ 0.00943 -0.00971 0.05999 -0.02814 0.03878 106 8 C 1S 0.00559 -0.03154 -0.12461 0.25820 -0.16871 107 2S -0.01769 0.33558 0.75933 -1.37392 0.85781 108 2PX 0.00739 -0.00638 -0.00419 0.03263 -0.03954 109 2PY -0.00945 0.01984 -0.02204 0.01805 -0.02249 110 2PZ -0.01233 -0.00357 0.00224 0.02398 -0.01096 111 3S -0.07122 -0.35661 0.25295 -1.04486 0.73726 112 3PX -0.09151 -0.20260 -0.08023 -0.04040 0.10861 113 3PY -0.00274 -0.08967 0.03275 -0.02618 0.08645 114 3PZ 0.04964 -0.09405 -0.05144 -0.07466 -0.02233 115 4XX 0.00258 -0.17016 -0.49604 0.98358 -0.61943 116 4YY 0.02329 -0.15377 -0.40686 0.88740 -0.57161 117 4ZZ 0.02287 -0.15654 -0.49014 0.95288 -0.64463 118 4XY -0.00731 0.01898 0.01724 0.00205 -0.03037 119 4XZ 0.00102 0.00268 0.00354 -0.02520 0.00397 120 4YZ 0.00832 0.01825 -0.02052 0.04096 -0.03552 121 9 C 1S 0.00766 0.02194 -0.14398 0.24187 -0.18653 122 2S -0.01670 -0.26497 0.90007 -1.29144 0.95241 123 2PX 0.00269 -0.00447 -0.00257 0.04176 -0.03699 124 2PY -0.00038 0.02089 0.00687 0.01064 -0.01321 125 2PZ -0.01800 -0.01189 -0.00304 0.02862 -0.01305 126 3S -0.11951 0.35425 0.32786 -0.88320 0.87980 127 3PX -0.09212 0.19456 -0.08574 -0.08144 0.07292 128 3PY -0.01444 0.06728 -0.07329 0.03119 0.03378 129 3PZ 0.04608 0.08514 -0.04958 -0.06405 0.04486 130 4XX 0.00333 0.12092 -0.54786 0.91652 -0.69937 131 4YY 0.02121 0.13705 -0.53823 0.82764 -0.64203 132 4ZZ 0.03524 0.10671 -0.54978 0.90140 -0.69528 133 4XY -0.00128 0.00490 -0.03585 0.02441 -0.00530 134 4XZ -0.00198 -0.01764 0.04415 -0.02693 0.00088 135 4YZ -0.00144 -0.01241 -0.03217 0.04661 -0.02950 136 10 H 1S 0.01580 -0.02173 0.05016 -0.06669 0.04639 137 2S 0.01826 0.00173 -0.13086 0.19913 -0.18415 138 11 H 1S -0.01317 -0.04225 0.06786 -0.07152 0.03451 139 2S -0.02641 0.06599 -0.15911 0.20671 -0.14690 140 12 H 1S -0.01375 0.04527 0.05386 -0.07394 0.03230 141 2S -0.03285 -0.06675 -0.13092 0.24862 -0.09457 142 13 H 1S 0.01433 0.02712 0.04671 -0.06594 0.04672 143 2S 0.01834 -0.02077 -0.10350 0.18620 -0.19684 144 14 H 1S 0.03618 0.03091 0.11977 -0.01290 0.02698 145 2S -0.01491 0.02456 -0.06480 0.07023 -0.01338 146 15 C 1S 0.00310 -0.19021 -0.07299 0.07033 0.18380 147 2S -0.36861 1.42723 0.46263 -0.51726 -1.07442 148 2PX 0.03224 -0.04307 -0.06148 0.02056 0.05101 149 2PY -0.05806 0.00074 -0.07585 -0.01425 0.07579 150 2PZ 0.01486 -0.05485 -0.01935 0.03819 0.03729 151 3S -1.86568 1.12078 -0.86687 -0.46754 -0.58688 152 3PX -0.70791 -0.56202 0.22943 0.09046 -0.04219 153 3PY -1.20990 1.64209 -0.52480 -0.85977 0.25501 154 3PZ -0.27785 -0.51083 0.10296 0.07421 -0.06151 155 4XX 0.24190 -0.85788 -0.24283 0.30620 0.70487 156 4YY 0.16763 -1.00946 -0.39253 0.40736 0.88932 157 4ZZ 0.15484 -0.79643 -0.23995 0.27954 0.69313 158 4XY -0.09693 0.07724 0.06372 -0.02305 -0.10136 159 4XZ 0.04871 -0.06195 -0.02176 -0.00402 0.03082 160 4YZ -0.03699 0.08863 0.07061 -0.04544 -0.11864 161 16 O 1S -0.31974 -0.01550 0.02253 0.04442 -0.14147 162 2S -0.18887 -0.01360 -0.00342 0.11497 -0.16929 163 2PX 0.10456 -0.00123 -0.04390 -0.01430 0.10873 164 2PY 0.02369 0.03720 -0.02603 -0.01709 0.03212 165 2PZ 0.00278 -0.01386 -0.02469 -0.01481 0.03742 166 3S 3.49914 0.18914 -0.21809 -0.79746 1.85742 167 3PX -0.14369 -0.16127 -0.05547 0.28087 -0.16967 168 3PY 0.03070 0.67898 -0.07029 0.01398 -0.19290 169 3PZ 0.13678 -0.29839 0.09247 0.20185 -0.04638 170 4XX -1.12168 0.05261 0.14093 0.07879 -0.55385 171 4YY -1.06166 -0.22201 0.18844 0.14251 -0.53757 172 4ZZ -1.07982 0.00975 0.06294 0.14696 -0.49346 173 4XY -0.05362 -0.27012 0.03005 0.01637 0.04774 174 4XZ -0.07243 0.14110 -0.00156 -0.07541 -0.04556 175 4YZ -0.03577 -0.03979 -0.05095 0.01848 0.05883 176 17 C 1S 0.00467 0.19565 -0.13074 -0.01791 0.08989 177 2S -0.37518 -1.48249 0.82052 -0.01082 -0.53779 178 2PX 0.01151 0.03910 -0.09207 0.00206 0.07709 179 2PY 0.05583 0.05352 -0.00321 0.01757 -0.03274 180 2PZ -0.03506 0.03289 -0.06792 -0.00128 0.05786 181 3S -1.81251 -1.22839 -0.56182 0.15555 0.24108 182 3PX -1.03148 -0.18673 -0.03390 -0.34315 -0.04403 183 3PY 0.26814 1.53298 0.22487 0.23237 -0.74214 184 3PZ -0.90776 -0.90199 -0.21103 -0.38265 0.43304 185 4XX 0.17482 0.85525 -0.45349 -0.03173 0.30232 186 4YY 0.26214 1.05348 -0.66088 -0.03279 0.47860 187 4ZZ 0.14559 0.85873 -0.49698 -0.03881 0.32982 188 4XY 0.08847 0.01585 0.01997 -0.02217 -0.00974 189 4XZ -0.03908 0.03198 -0.00976 0.00934 -0.00291 190 4YZ -0.04310 -0.14272 0.13275 -0.03454 -0.09371 191 18 O 1S -0.29292 -0.26764 -0.06283 -0.06196 0.09486 192 2S -0.29841 -0.40032 -0.06857 -0.09903 0.14939 193 2PX 0.04604 0.12561 -0.03616 0.01539 0.00388 194 2PY -0.10034 -0.15577 0.03764 -0.02939 -0.00694 195 2PZ 0.08091 0.16688 -0.04653 0.02254 0.01711 196 3S 3.91297 3.76979 1.04026 0.90973 -1.54490 197 3PX -0.24528 -0.43008 -0.17887 -0.06842 0.28682 198 3PY 0.74207 0.41034 0.24130 0.16398 -0.25199 199 3PZ -0.53114 -0.50272 -0.22519 -0.11441 0.28773 200 4XX -1.02169 -0.89578 -0.18106 -0.20939 0.28006 201 4YY -0.88023 -0.89989 -0.16968 -0.18207 0.28752 202 4ZZ -0.92559 -0.88907 -0.14931 -0.20693 0.26409 203 4XY -0.07526 -0.02174 -0.07416 -0.00929 0.06883 204 4XZ -0.00054 0.01361 0.07260 0.00847 -0.08825 205 4YZ -0.10828 -0.01172 -0.08281 -0.02015 0.08005 206 19 O 1S -0.29503 0.25254 -0.10982 -0.13775 -0.00499 207 2S -0.30882 0.39098 -0.14309 -0.22559 -0.02560 208 2PX -0.00592 -0.03474 -0.00004 0.02368 0.02448 209 2PY 0.13519 -0.24817 -0.01341 0.12371 0.11682 210 2PZ -0.01904 0.00898 -0.00730 -0.01903 -0.00667 211 3S 3.98548 -3.60782 1.67608 1.96185 -0.08997 212 3PX 0.10891 0.18881 -0.10109 -0.08884 0.01061 213 3PY -0.94556 0.73321 -0.48229 -0.40475 0.15817 214 3PZ 0.18625 0.01270 0.04812 0.06634 0.00892 215 4XX -1.04210 0.85820 -0.38823 -0.46546 -0.00270 216 4YY -0.80931 0.81795 -0.20873 -0.44114 -0.17968 217 4ZZ -0.99011 0.85389 -0.38828 -0.46767 0.00973 218 4XY -0.04812 -0.02041 0.04705 0.01031 -0.03388 219 4XZ -0.03087 0.00293 -0.01071 -0.00159 -0.01091 220 4YZ -0.04940 -0.00297 -0.00885 -0.01910 -0.00297 221 20 H 1S 0.01462 0.06480 0.05333 -0.02212 -0.07100 222 2S 0.01248 -0.02343 -0.10170 -0.06897 0.18840 223 21 H 1S 0.01495 -0.06127 0.06827 -0.00566 -0.04614 224 2S 0.01890 0.03537 -0.14199 -0.09717 0.20779 225 22 H 1S 0.03529 -0.00969 0.11159 -0.04589 -0.00302 226 2S -0.01573 -0.04460 -0.09567 0.02479 -0.03152 227 23 H 1S -0.06285 -0.04467 0.08165 0.05492 -0.00941 228 2S 0.03352 0.12572 -0.12223 0.02221 0.04704 229 24 H 1S -0.01702 0.02159 0.05243 0.06412 0.06808 230 2S 0.10540 -0.16035 -0.18460 -0.30822 -0.24727 231 25 H 1S -0.01602 0.02844 0.05562 0.07771 0.03032 232 2S 0.07854 -0.14329 -0.17943 -0.30162 -0.28564 233 26 H 1S -0.01192 0.02130 0.06040 0.05319 0.04703 234 2S 0.03357 -0.10747 -0.14130 -0.28470 -0.26131 226 227 228 229 230 V V V V V Eigenvalues -- 4.34504 4.44463 4.45145 4.49918 4.55243 1 1 C 1S -0.13368 0.00510 0.06913 -0.07849 -0.01315 2 2S 0.70047 -0.07682 -0.30633 0.42452 0.07482 3 2PX -0.01189 0.01125 0.01674 -0.00777 -0.00993 4 2PY 0.04512 -0.01998 -0.02902 0.03879 0.00409 5 2PZ 0.03475 0.00511 -0.00875 0.02619 0.00252 6 3S 0.98125 0.02602 -0.43661 1.21538 0.07723 7 3PX 0.02543 -0.03633 -0.05292 0.11185 0.04797 8 3PY -0.07396 -0.04912 0.01729 -0.20320 -0.00908 9 3PZ -0.10704 0.02090 0.06567 -0.11633 0.00869 10 4XX -0.49770 0.01753 0.25368 -0.26812 -0.05315 11 4YY -0.54227 0.07468 0.26824 -0.38823 -0.05278 12 4ZZ -0.50158 0.02761 0.23390 -0.32295 -0.05345 13 4XY 0.01904 -0.01751 0.00163 0.01933 0.00908 14 4XZ 0.01179 0.00323 0.00993 0.01108 -0.01321 15 4YZ -0.04889 0.01208 -0.00105 -0.09918 -0.00545 16 2 C 1S 0.07666 -0.08368 -0.03737 0.17522 0.00333 17 2S -0.59567 0.42359 0.12092 -1.14368 -0.06803 18 2PX -0.01735 -0.00419 0.00564 0.04592 -0.00617 19 2PY 0.11506 -0.04366 -0.10906 0.01474 0.00731 20 2PZ -0.03986 0.07790 0.02828 0.02943 -0.00741 21 3S 0.28060 0.62339 0.47566 0.94005 -0.00651 22 3PX 0.11227 0.05796 0.00635 0.11718 -0.07687 23 3PY -0.43430 0.08628 0.11512 -1.29448 -0.02306 24 3PZ -0.15748 -0.55053 -0.51332 -0.84640 -0.04907 25 4XX 0.29695 -0.31091 -0.13673 0.71298 -0.00025 26 4YY 0.34092 -0.24855 -0.02632 0.82519 0.03242 27 4ZZ 0.35405 -0.38856 -0.06191 0.70491 0.05324 28 4XY -0.00478 -0.02544 -0.00978 -0.03150 0.04762 29 4XZ -0.01075 -0.02021 0.02067 -0.01878 0.01915 30 4YZ 0.10418 -0.03530 -0.08791 0.10004 0.02054 31 3 C 1S 0.20182 -0.16559 -0.27792 0.10391 0.01798 32 2S -1.07852 0.79177 1.34799 -0.26942 -0.05744 33 2PX 0.03112 -0.02377 -0.02906 0.01824 0.02070 34 2PY -0.03626 0.03020 -0.06550 -0.09448 0.00775 35 2PZ -0.06876 0.08496 0.11470 -0.00464 0.00195 36 3S -0.87655 1.22737 1.23579 -2.44170 -0.19059 37 3PX 0.00254 0.06510 0.05867 0.05258 0.02031 38 3PY -0.25191 0.01943 0.21217 -0.07056 0.07573 39 3PZ 0.21234 -0.23545 -0.08332 1.56286 0.04702 40 4XX 0.75336 -0.61955 -1.03729 0.33510 0.06052 41 4YY 0.78118 -0.63400 -1.02498 0.28160 0.07424 42 4ZZ 0.75248 -0.61745 -1.03006 0.26014 0.04356 43 4XY -0.01097 -0.00844 -0.00408 0.02365 0.02281 44 4XZ 0.01548 -0.01779 -0.01902 -0.01998 -0.05673 45 4YZ 0.03435 -0.07927 0.04577 0.08921 -0.02021 46 4 C 1S 0.01251 0.20561 -0.14296 -0.16900 -0.00318 47 2S 0.26877 -1.20691 0.33366 0.17362 -0.06650 48 2PX 0.04547 -0.01133 0.02038 0.01724 -0.00504 49 2PY 0.02897 0.03280 -0.04461 -0.08448 -0.00642 50 2PZ 0.01065 -0.00022 0.04322 0.05617 -0.00254 51 3S -0.20345 -1.25118 1.25939 2.22411 0.13716 52 3PX -0.20823 -0.01303 -0.13497 -0.23769 0.33138 53 3PY -0.49646 -0.04231 0.33726 1.35328 0.16617 54 3PZ -0.20057 -0.10884 -0.40144 -0.19106 0.05592 55 4XX -0.04852 0.83600 -0.41357 -0.39702 0.02835 56 4YY -0.08221 0.83424 -0.42929 -0.44191 0.00864 57 4ZZ -0.06207 0.84851 -0.36242 -0.46443 0.00553 58 4XY -0.00607 -0.03488 -0.01612 0.02368 0.00046 59 4XZ -0.02967 0.04120 -0.04291 0.01560 0.11654 60 4YZ -0.06438 0.05557 0.07218 -0.04488 0.02287 61 5 C 1S -0.10198 0.10169 -0.07888 -0.14910 0.19731 62 2S 0.26959 -0.36702 0.58895 0.71214 -0.60990 63 2PX 0.06349 0.07715 0.00322 0.01315 -0.03959 64 2PY -0.05374 0.00938 -0.04022 -0.07040 0.04513 65 2PZ 0.01417 0.05578 0.01345 -0.07240 0.01903 66 3S 0.82137 -0.62466 -0.19583 -0.44347 -1.52751 67 3PX -0.00101 0.00639 0.65112 0.44361 0.46485 68 3PY 0.84714 -0.05549 0.08121 -0.67025 -0.12804 69 3PZ 0.11289 0.00836 0.03616 0.51367 -0.10602 70 4XX -0.23283 0.41460 -0.37283 -0.54573 0.57657 71 4YY -0.28615 0.28004 -0.32912 -0.63799 0.70064 72 4ZZ -0.34071 0.35307 -0.36421 -0.50491 0.65608 73 4XY 0.08806 -0.00188 0.06659 -0.01299 0.01348 74 4XZ 0.01416 0.12746 -0.05149 0.02212 -0.07170 75 4YZ 0.03632 0.07039 0.00637 -0.00526 -0.02858 76 6 C 1S -0.10149 0.13899 0.02822 0.15923 -0.15888 77 2S 0.37066 -0.64402 -0.18388 -0.89868 0.42388 78 2PX 0.02822 0.07077 -0.00513 -0.01351 0.02658 79 2PY 0.07248 0.05227 0.01385 -0.02490 0.03029 80 2PZ -0.03763 0.05282 0.04255 0.07643 -0.04268 81 3S 0.52251 -0.38652 0.61967 0.21752 1.17517 82 3PX 0.40955 -0.13338 0.19135 -0.48992 -0.48536 83 3PY -0.16959 -0.27106 -0.77398 -0.70996 -0.16683 84 3PZ 0.45507 0.13970 0.44840 0.01104 0.16003 85 4XX -0.24303 0.53374 0.17328 0.62673 -0.45744 86 4YY -0.36396 0.49564 0.04529 0.66633 -0.50559 87 4ZZ -0.34163 0.52770 0.15505 0.62573 -0.52531 88 4XY 0.00515 0.13963 -0.07304 -0.00095 0.10669 89 4XZ 0.05835 0.06459 0.02232 -0.01942 0.00563 90 4YZ 0.01056 0.03585 -0.05646 -0.04379 0.04413 91 7 C 1S -0.02004 0.25275 0.01809 0.14228 -0.04223 92 2S 0.23726 -1.14361 0.41192 0.01476 0.29683 93 2PX 0.04268 0.00918 0.02409 0.01609 0.00165 94 2PY 0.02480 -0.04456 -0.02810 -0.10464 0.00976 95 2PZ -0.00032 0.04216 0.03798 -0.01419 -0.00241 96 3S 0.02387 -1.90968 -0.71258 -1.94535 0.23973 97 3PX -0.26533 -0.11005 -0.27046 -0.19195 -0.33341 98 3PY -0.02572 0.17553 0.45098 1.18000 -0.07343 99 3PZ -0.38489 -0.39470 -0.72465 -0.50809 -0.04378 100 4XX -0.11045 0.88524 -0.09324 0.27616 -0.18358 101 4YY -0.10744 0.92322 -0.10067 0.34349 -0.20948 102 4ZZ -0.14016 0.94817 -0.06177 0.26365 -0.18782 103 4XY -0.02219 0.05283 -0.01348 -0.02043 -0.08431 104 4XZ -0.04662 0.01226 -0.03733 0.02038 -0.06668 105 4YZ 0.02258 -0.00749 0.00614 -0.01110 -0.02481 106 8 C 1S 0.05658 -0.03015 0.16173 0.17309 0.29563 107 2S -0.27472 0.17816 -0.80492 -0.93871 -1.30745 108 2PX 0.00172 -0.01646 0.05149 0.07880 0.07504 109 2PY 0.01071 -0.02584 -0.00326 -0.00442 -0.01845 110 2PZ -0.00643 0.01283 0.05114 0.04090 0.04280 111 3S -0.53230 0.39260 -0.79156 -0.51892 -2.74628 112 3PX -0.00972 0.08803 -0.00374 0.17377 -0.38570 113 3PY -0.09277 0.04939 -0.10775 0.12621 0.24250 114 3PZ 0.02303 0.01640 0.10210 0.08516 -0.19408 115 4XX 0.20933 -0.13503 0.62024 0.66758 1.02684 116 4YY 0.17979 -0.13986 0.61020 0.71536 1.20099 117 4ZZ 0.22103 -0.12091 0.61296 0.66627 1.04620 118 4XY 0.01540 -0.09158 -0.00191 -0.04011 0.01685 119 4XZ 0.02114 -0.02307 0.00383 0.01364 0.01060 120 4YZ 0.03399 -0.06594 -0.01041 -0.03352 -0.05751 121 9 C 1S 0.07373 -0.09848 -0.02791 -0.19901 -0.27788 122 2S -0.43569 0.58407 0.30812 0.93761 1.21807 123 2PX 0.01655 -0.04719 -0.02484 -0.05276 -0.05169 124 2PY -0.00355 -0.00312 -0.01361 -0.08506 -0.06515 125 2PZ -0.00408 -0.00119 0.02834 -0.03602 -0.00152 126 3S -0.41910 0.62217 -0.33118 0.81460 2.60652 127 3PX -0.08906 0.12550 -0.07698 -0.15950 0.22002 128 3PY 0.20860 -0.08448 -0.13547 0.01070 0.41062 129 3PZ 0.06459 -0.08926 -0.28335 0.03428 -0.11815 130 4XX 0.28005 -0.43761 -0.10703 -0.71726 -0.97962 131 4YY 0.28155 -0.35840 -0.21608 -0.79662 -1.09031 132 4ZZ 0.30546 -0.43461 -0.13963 -0.71625 -0.99671 133 4XY 0.02466 0.00506 0.00082 0.00537 0.06514 134 4XZ 0.01608 -0.07991 0.01299 0.03591 -0.04659 135 4YZ 0.04366 -0.01695 0.01961 0.04363 0.07456 136 10 H 1S -0.01662 -0.00217 -0.00096 0.04093 -0.03982 137 2S 0.19535 -0.19529 -0.10735 -0.13096 -0.31025 138 11 H 1S -0.02358 0.02890 0.06033 0.02232 -0.01702 139 2S 0.05598 -0.06385 0.02680 -0.24630 -0.20905 140 12 H 1S 0.00524 -0.00748 -0.03160 -0.04928 0.01478 141 2S 0.07549 -0.01717 0.17711 0.19014 0.23223 142 13 H 1S -0.01424 -0.00210 -0.02153 -0.03050 0.04023 143 2S 0.11623 -0.07996 0.18486 0.16630 0.31698 144 14 H 1S 0.01526 -0.03280 -0.02697 -0.10242 0.00701 145 2S -0.10933 0.16894 -0.24348 -0.25727 -0.05115 146 15 C 1S -0.12178 -0.17674 0.12469 0.02768 -0.19325 147 2S 0.82324 0.95719 -0.45528 0.22809 0.49103 148 2PX -0.06627 -0.05137 0.00422 0.07148 -0.04135 149 2PY 0.02047 -0.05968 0.13447 -0.00111 -0.03343 150 2PZ -0.05800 -0.02092 -0.01192 0.01055 -0.02687 151 3S -0.08943 -0.50122 0.37048 1.63776 -0.50965 152 3PX -0.47832 -0.72541 -0.70336 -0.09993 -0.22315 153 3PY 1.88829 0.37939 2.76395 1.19245 -2.01653 154 3PZ -0.51004 -0.51364 -0.80259 -0.17482 0.16493 155 4XX -0.43814 -0.67450 0.45942 -0.05659 -0.61498 156 4YY -0.75270 -0.96435 0.46993 -0.01808 -0.66461 157 4ZZ -0.42613 -0.60565 0.40606 -0.03431 -0.56953 158 4XY -0.00616 -0.08389 -0.05814 -0.04052 0.06703 159 4XZ -0.00104 -0.11655 0.03687 -0.03976 -0.01334 160 4YZ 0.06639 0.04011 -0.05474 0.02044 0.02423 161 16 O 1S -0.31940 -0.21705 -0.32634 0.17998 0.01900 162 2S -0.70930 -0.56085 -0.60276 0.35341 0.03238 163 2PX 0.09154 0.04156 0.18682 -0.08882 -0.01889 164 2PY 0.03982 0.00819 0.04939 -0.06875 0.02559 165 2PZ 0.04979 0.00923 0.05611 -0.00546 -0.01772 166 3S 5.29673 3.58213 5.09296 -2.84396 -0.31642 167 3PX -1.15364 -0.72241 -0.94444 0.49743 -0.00703 168 3PY -0.50706 -0.15853 -0.20156 0.26690 0.35450 169 3PZ -0.42648 -0.14215 -0.34160 0.08564 -0.11849 170 4XX -0.87726 -0.56392 -1.04022 0.55858 0.11331 171 4YY -0.84070 -0.48027 -1.14464 0.61402 0.00904 172 4ZZ -1.10972 -0.76770 -1.10413 0.61220 0.07734 173 4XY 0.08375 0.00325 0.01264 0.00676 -0.13258 174 4XZ 0.15296 0.11846 0.03640 -0.02375 0.06747 175 4YZ -0.09598 -0.15434 0.01508 0.00593 -0.01200 176 17 C 1S -0.16851 -0.17199 0.13045 -0.13958 0.16074 177 2S 1.09872 0.84162 -0.75704 0.30209 -0.34568 178 2PX -0.02343 -0.09125 -0.02431 -0.04454 0.04198 179 2PY -0.09393 0.01257 -0.06762 0.03245 0.02493 180 2PZ -0.01928 -0.05414 0.06826 -0.06184 0.02285 181 3S 0.54992 -1.01768 -1.22410 -0.67251 0.63670 182 3PX 0.25692 -0.53753 0.19801 -0.55560 0.78087 183 3PY -2.14989 -0.26164 -0.78890 2.48962 -1.02961 184 3PZ 1.31230 -0.34007 0.42183 -1.50062 1.05667 185 4XX -0.68450 -0.66580 0.57968 -0.38098 0.44626 186 4YY -0.82289 -0.73947 0.65886 -0.46042 0.52758 187 4ZZ -0.72114 -0.66704 0.50488 -0.39991 0.48557 188 4XY 0.11047 0.04323 0.02288 -0.01829 0.01824 189 4XZ -0.09076 -0.19644 0.03708 0.06920 -0.03309 190 4YZ 0.18515 0.14353 -0.04719 0.05317 -0.06062 191 18 O 1S 0.25808 -0.09055 0.04658 -0.26643 0.17758 192 2S 0.54159 -0.15173 0.09898 -0.55019 0.35148 193 2PX -0.14508 -0.04397 0.01237 0.03287 0.00004 194 2PY 0.16707 0.04815 -0.02753 -0.03921 0.01198 195 2PZ -0.18801 -0.06816 0.01672 0.06108 -0.01028 196 3S -4.09717 1.58290 -0.82317 4.71055 -3.12178 197 3PX 0.56314 -0.15979 0.16403 -0.64387 0.35005 198 3PY -0.39565 0.54526 -0.11354 0.63769 -0.56102 199 3PZ 0.56711 -0.33481 0.23065 -0.82949 0.52499 200 4XX 0.81886 -0.30981 0.14087 -0.82523 0.56338 201 4YY 0.89252 -0.15716 0.12124 -0.84561 0.51982 202 4ZZ 0.87100 -0.23595 0.10425 -0.77025 0.51224 203 4XY 0.01015 -0.10474 0.01969 -0.11219 0.09853 204 4XZ -0.04802 0.07757 -0.09571 0.12678 -0.07334 205 4YZ -0.02111 -0.18376 0.09262 -0.12083 0.10620 206 19 O 1S 0.18066 -0.01446 0.27678 0.15173 -0.20690 207 2S 0.39573 0.00381 0.56801 0.30808 -0.41962 208 2PX -0.03181 -0.01977 -0.02071 0.00243 -0.00723 209 2PY -0.22339 -0.13524 -0.08875 -0.05761 0.01447 210 2PZ 0.00049 -0.00539 -0.00448 0.00107 0.00272 211 3S -2.89395 0.27829 -4.76229 -2.71061 3.66297 212 3PX 0.20419 0.16631 0.30522 0.06591 -0.06152 213 3PY 0.57082 -0.31267 1.24997 0.68264 -0.99866 214 3PZ 0.05435 0.16662 0.02578 -0.06134 0.08294 215 4XX 0.58758 -0.09169 0.94439 0.52360 -0.72073 216 4YY 0.62601 0.20271 0.61644 0.39336 -0.41810 217 4ZZ 0.60833 -0.09476 0.97786 0.49033 -0.71033 218 4XY -0.04235 -0.03756 -0.09510 -0.02986 0.03921 219 4XZ -0.02274 0.00738 -0.01251 0.03848 -0.01044 220 4YZ -0.01736 -0.07051 -0.00645 0.01498 -0.02785 221 20 H 1S 0.08102 -0.02659 0.00000 -0.06819 -0.01132 222 2S 0.00539 0.14890 0.05443 0.06522 -0.12317 223 21 H 1S 0.08683 -0.01740 0.04174 0.06317 0.00565 224 2S 0.05426 0.09962 -0.07605 -0.05514 0.15621 225 22 H 1S -0.00967 -0.01621 0.06102 0.07852 -0.00812 226 2S -0.13176 0.22920 -0.00365 0.25309 0.01679 227 23 H 1S -0.07567 0.02244 0.08938 -0.09063 0.00997 228 2S 0.09193 -0.09342 -0.21168 -0.32977 0.01086 229 24 H 1S 0.00492 0.00794 -0.00600 -0.00983 -0.01548 230 2S -0.16259 0.00224 0.08246 -0.13902 0.01969 231 25 H 1S 0.00879 -0.00799 -0.01280 -0.01210 0.02154 232 2S -0.14169 -0.01779 0.05685 -0.06811 -0.02102 233 26 H 1S 0.00726 -0.00666 -0.00172 -0.01428 0.00292 234 2S -0.10323 0.01885 0.07532 -0.12138 -0.02396 231 232 233 234 V V V V Eigenvalues -- 4.57640 4.66191 4.86178 4.97401 1 1 C 1S -0.02535 0.15304 -0.00989 0.02420 2 2S 0.08720 -0.83776 0.05306 -0.08986 3 2PX -0.00950 0.02868 -0.00216 0.00436 4 2PY 0.01225 -0.12351 0.01002 -0.00431 5 2PZ 0.02653 -0.09058 0.00626 -0.04198 6 3S 0.13347 -0.85570 -0.10133 -0.40002 7 3PX 0.02632 -0.05761 0.01077 -0.02476 8 3PY 0.02557 0.06330 0.08431 0.10699 9 3PZ -0.03856 -0.05600 0.01474 -0.09737 10 4XX -0.10241 0.52954 -0.02949 0.09354 11 4YY -0.07750 0.73107 -0.05140 0.06702 12 4ZZ -0.08046 0.66660 -0.04197 0.12128 13 4XY 0.00270 -0.04766 0.00957 -0.00122 14 4XZ -0.00232 -0.02393 -0.00142 -0.00883 15 4YZ -0.00621 0.14799 -0.00520 0.05316 16 2 C 1S -0.03854 -0.39791 0.04138 -0.02694 17 2S 0.24443 1.68883 -0.11998 -0.03534 18 2PX -0.00363 -0.06901 0.00242 0.00023 19 2PY 0.00892 0.18751 -0.01814 0.06838 20 2PZ 0.00708 0.01427 -0.01167 0.04463 21 3S 1.09912 4.39980 -1.18246 -1.81190 22 3PX 0.00843 0.47120 -0.20435 -0.06099 23 3PY -0.19714 -1.65109 0.57508 0.16576 24 3PZ -0.20130 -0.22998 0.38456 1.49852 25 4XX -0.16920 -1.38128 0.10791 -0.06655 26 4YY -0.14296 -1.69316 0.15831 -0.12842 27 4ZZ -0.25972 -1.51407 0.18885 0.02898 28 4XY 0.01881 0.06977 0.01842 -0.00522 29 4XZ 0.01231 -0.00570 0.03209 -0.00520 30 4YZ 0.07479 0.02808 -0.03294 -0.05140 31 3 C 1S 0.08884 0.25279 -0.03909 0.02225 32 2S -0.22813 -0.95349 0.10971 0.13040 33 2PX -0.00984 -0.02138 0.00642 -0.01105 34 2PY 0.05183 0.14700 -0.00392 -0.01866 35 2PZ -0.06985 -0.20687 0.01749 -0.10086 36 3S -0.55743 -3.92549 1.18141 1.54472 37 3PX 0.04870 0.12504 0.03331 0.16760 38 3PY -0.32739 -0.87321 0.16143 -0.66656 39 3PZ 0.42068 1.43736 -0.64109 -1.02231 40 4XX 0.26722 0.86080 -0.11407 0.04619 41 4YY 0.27327 1.13708 -0.19596 -0.03796 42 4ZZ 0.27881 0.89805 -0.11501 0.02840 43 4XY 0.00401 -0.08614 0.02494 0.01990 44 4XZ 0.04431 0.01395 -0.03287 0.04130 45 4YZ -0.07199 -0.07292 -0.03333 -0.08196 46 4 C 1S 0.21692 -0.09466 0.13316 0.44084 47 2S -1.09168 0.53147 -0.22695 -0.70698 48 2PX -0.00068 0.01065 0.03155 -0.08213 49 2PY 0.05844 -0.01038 0.07509 0.21965 50 2PZ -0.01923 0.07163 -0.06978 -0.07479 51 3S -1.79261 1.11136 -1.53397 -6.95613 52 3PX -0.05260 -0.07774 0.27020 0.25943 53 3PY -0.09328 0.30324 -0.41154 -2.33687 54 3PZ 0.04193 -0.21072 0.39494 0.94027 55 4XX 0.91123 -0.32524 0.37833 1.31712 56 4YY 0.77967 -0.43833 0.41039 1.25319 57 4ZZ 0.85646 -0.41347 0.38294 1.32843 58 4XY 0.04044 0.02614 -0.01193 -0.00163 59 4XZ -0.02321 0.03540 0.07109 -0.02282 60 4YZ -0.03474 -0.06399 0.03924 -0.00806 61 5 C 1S -0.26140 -0.00831 0.27703 -0.21528 62 2S 1.09759 -0.07780 -0.91788 0.35660 63 2PX -0.02614 0.01558 -0.03768 -0.08138 64 2PY -0.05830 -0.00798 0.02522 -0.00980 65 2PZ -0.09733 -0.03750 0.06035 -0.04380 66 3S 2.06028 -0.31197 -4.42034 5.52238 67 3PX 0.16448 -0.11792 -0.46233 -0.89883 68 3PY 0.16508 0.32132 -1.39160 1.16709 69 3PZ 0.47736 0.23185 0.09876 0.80145 70 4XX -1.05865 0.03949 1.01510 -0.61774 71 4YY -0.83198 -0.01209 0.95862 -0.62972 72 4ZZ -0.98866 -0.00196 0.95176 -0.66780 73 4XY -0.05687 0.02397 -0.00196 -0.03965 74 4XZ 0.01480 -0.02055 0.13892 0.06276 75 4YZ -0.02431 0.04794 -0.04141 0.09847 76 6 C 1S -0.24620 0.10663 -0.28051 0.21980 77 2S 1.03029 -0.23074 0.92570 -0.35715 78 2PX -0.02655 0.00370 0.03524 0.07858 79 2PY -0.03062 0.02890 -0.01404 0.04367 80 2PZ -0.08219 0.08982 -0.06929 0.02598 81 3S 2.15058 -0.53826 4.43758 -5.64478 82 3PX 0.08972 0.12115 0.93123 0.54931 83 3PY 0.20035 -0.07853 -0.76766 0.46661 84 3PZ 0.28579 -0.58295 0.84742 -1.55762 85 4XX -1.00874 0.32668 -0.98908 0.67681 86 4YY -0.81503 0.34648 -1.06207 0.68955 87 4ZZ -0.88654 0.30195 -0.90770 0.58354 88 4XY -0.02888 -0.01325 -0.09182 -0.10135 89 4XZ 0.03203 0.00994 -0.07735 -0.03357 90 4YZ -0.09375 0.01375 -0.00821 0.02222 91 7 C 1S 0.23680 0.00204 -0.13198 -0.46382 92 2S -1.17056 -0.21649 0.21763 0.71293 93 2PX 0.02201 -0.00474 -0.06640 -0.01385 94 2PY -0.06569 -0.03573 0.08607 0.22286 95 2PZ 0.01844 -0.03616 0.00340 -0.10163 96 3S -2.10044 -0.10550 1.54959 7.46315 97 3PX -0.15773 -0.01003 -0.04023 0.73008 98 3PY 0.19212 0.23271 -0.64419 -2.20960 99 3PZ -0.15273 -0.02459 0.06667 1.18744 100 4XX 0.96558 -0.02207 -0.34805 -1.37813 101 4YY 0.88450 0.02538 -0.39364 -1.36298 102 4ZZ 0.91353 0.24856 -0.41176 -1.32320 103 4XY -0.02645 -0.01680 -0.05253 -0.00004 104 4XZ -0.04077 -0.00566 -0.05390 0.03554 105 4YZ 0.03465 -0.02543 0.00529 -0.02564 106 8 C 1S -0.01921 0.12192 0.06551 0.08439 107 2S 0.15209 -0.32981 -0.12791 -0.14985 108 2PX 0.00013 0.02092 0.00228 -0.09468 109 2PY -0.01533 0.01422 -0.00196 -0.02958 110 2PZ -0.00517 0.06368 -0.01994 -0.04849 111 3S 0.18748 -1.24536 -1.47954 -3.26687 112 3PX 0.06146 0.03765 -0.46048 -0.72728 113 3PY 0.19000 0.09034 0.11470 0.10101 114 3PZ 0.00031 -0.60607 -0.01590 -0.70023 115 4XX -0.14190 0.39230 0.16022 0.24765 116 4YY -0.07576 0.44469 0.24816 0.32302 117 4ZZ -0.06770 0.34279 0.19813 0.18319 118 4XY -0.07053 0.00177 0.04430 0.07942 119 4XZ 0.00525 -0.03565 0.01442 0.00574 120 4YZ -0.04881 -0.01561 0.00120 0.02402 121 9 C 1S -0.13354 -0.08676 -0.06653 -0.08560 122 2S 0.59802 0.22892 0.13082 0.15610 123 2PX -0.02374 -0.01837 -0.00553 0.08581 124 2PY -0.02631 -0.02708 0.01191 0.04809 125 2PZ -0.03227 -0.03719 0.01468 0.03256 126 3S 1.23559 0.83017 1.48570 3.22086 127 3PX 0.09569 -0.22457 0.38272 0.51755 128 3PY 0.16561 0.41041 0.24126 0.80062 129 3PZ 0.20579 0.22327 -0.13329 0.30444 130 4XX -0.56268 -0.25986 -0.19801 -0.29749 131 4YY -0.43571 -0.29338 -0.20433 -0.20742 132 4ZZ -0.50053 -0.27330 -0.21444 -0.26101 133 4XY 0.01504 0.02081 0.03686 0.03069 134 4XZ -0.04292 0.00572 -0.05626 -0.08297 135 4YZ 0.02417 0.05254 0.00672 0.04592 136 10 H 1S -0.00651 0.02691 -0.07314 -0.10577 137 2S -0.04304 0.07381 -0.17997 -0.04663 138 11 H 1S -0.01181 -0.06962 -0.03131 -0.12391 139 2S -0.19745 -0.14544 0.02654 -0.15597 140 12 H 1S 0.01667 0.08387 0.03138 0.12522 141 2S -0.06346 0.21562 -0.03005 0.15548 142 13 H 1S -0.00808 -0.02554 0.07248 0.10737 143 2S 0.00316 -0.08631 0.18140 0.05801 144 14 H 1S -0.00545 -0.04037 0.03534 0.03278 145 2S 0.20827 -0.04670 0.03679 0.11079 146 15 C 1S 0.13563 0.12151 0.25676 0.01813 147 2S -0.60496 -0.33406 -0.58816 -0.01878 148 2PX 0.02296 -0.04523 0.06975 -0.07577 149 2PY 0.03124 -0.01417 0.06035 -0.03531 150 2PZ 0.01618 0.04138 0.02310 -0.00726 151 3S -0.24532 -0.60209 -0.55544 0.83582 152 3PX 0.55044 0.06300 0.87095 -0.36729 153 3PY 0.70112 0.62650 3.15375 -0.32663 154 3PZ 0.13910 -0.20548 -0.10836 0.05167 155 4XX 0.55281 0.39592 0.83902 0.06119 156 4YY 0.62376 0.41397 0.96486 0.06814 157 4ZZ 0.45015 0.39023 0.74890 0.05033 158 4XY 0.06441 -0.04530 0.09105 -0.01761 159 4XZ 0.07920 -0.03389 0.08865 -0.01512 160 4YZ 0.02924 -0.04003 0.03423 -0.04277 161 16 O 1S 0.06683 -0.05941 0.00257 0.00360 162 2S 0.24118 -0.14579 0.00646 0.00915 163 2PX -0.00554 0.03475 -0.00435 0.00426 164 2PY -0.00216 -0.01529 0.01289 -0.02728 165 2PZ 0.00963 0.01455 -0.00572 0.01200 166 3S -1.03125 0.95766 -0.04172 -0.06893 167 3PX 0.15826 -0.15165 0.11412 0.01832 168 3PY 0.04595 -0.14155 -0.49633 -0.00432 169 3PZ -0.02304 0.01194 0.21603 0.00429 170 4XX 0.16026 -0.20270 -0.04938 -0.00470 171 4YY 0.05604 -0.12220 0.05968 0.02534 172 4ZZ 0.26368 -0.23499 0.01477 0.01234 173 4XY 0.00244 0.06361 0.14758 0.03711 174 4XZ -0.08607 -0.01840 -0.06560 -0.01634 175 4YZ 0.11438 -0.00110 -0.01959 -0.00453 176 17 C 1S 0.11056 -0.12356 -0.25825 -0.01805 177 2S -0.53375 0.33524 0.59692 0.01394 178 2PX 0.04559 0.02461 -0.07983 0.08269 179 2PY -0.00933 -0.04000 -0.00292 0.00892 180 2PZ 0.02427 -0.01398 -0.04921 0.01759 181 3S -0.06022 0.34856 0.57181 -0.77116 182 3PX 0.69037 -0.52598 -1.90859 0.43439 183 3PY -0.06746 0.14352 1.74612 -0.06578 184 3PZ 0.50338 -0.29242 -2.00748 0.12074 185 4XX 0.49355 -0.40565 -0.88412 -0.05988 186 4YY 0.43149 -0.41349 -0.82765 -0.08621 187 4ZZ 0.45661 -0.41006 -0.85935 -0.02717 188 4XY 0.03230 0.00241 -0.00290 0.01101 189 4XZ 0.14046 -0.00150 -0.16240 0.02836 190 4YZ -0.05279 0.03773 0.07009 0.01757 191 18 O 1S 0.07749 -0.02575 -0.23636 0.00357 192 2S 0.17461 -0.04020 -0.56866 0.01781 193 2PX 0.01876 -0.03769 -0.02006 -0.00209 194 2PY -0.01681 0.02792 0.01031 0.00504 195 2PZ 0.01143 -0.02169 -0.00259 -0.01422 196 3S -1.37939 0.53081 4.59488 -0.04998 197 3PX 0.10428 0.03062 -0.39777 -0.05776 198 3PY -0.38811 0.15171 0.92790 -0.00450 199 3PZ 0.27209 -0.12778 -0.80889 0.00243 200 4XX 0.26430 -0.09784 -0.77905 0.00606 201 4YY 0.14493 -0.03927 -0.59770 0.00674 202 4ZZ 0.23603 -0.04606 -0.67198 0.03216 203 4XY 0.04196 -0.02109 -0.11175 -0.02471 204 4XZ -0.05449 0.01377 0.11020 0.00488 205 4YZ 0.11734 -0.05443 -0.22621 0.00302 206 19 O 1S 0.06928 0.02447 0.23563 -0.00448 207 2S 0.15457 0.03056 0.56937 -0.02216 208 2PX 0.01711 0.01397 0.01541 -0.00359 209 2PY 0.04018 0.04199 0.01457 0.01694 210 2PZ -0.01197 -0.00985 -0.00899 0.00756 211 3S -1.28239 -0.49772 -4.59207 0.07394 212 3PX -0.09996 -0.01861 -0.08017 0.05872 213 3PY 0.44533 0.13123 1.28462 0.01407 214 3PZ -0.07571 0.04527 -0.15165 -0.01510 215 4XX 0.24902 0.09150 0.82065 0.00654 216 4YY 0.04402 0.00722 0.39448 -0.03419 217 4ZZ 0.26337 0.08432 0.82590 -0.02741 218 4XY 0.02652 0.00015 0.01881 -0.01260 219 4XZ -0.02500 0.00365 -0.01446 0.01532 220 4YZ 0.05052 -0.02025 0.06918 -0.00513 221 20 H 1S 0.02645 -0.07487 -0.06389 0.08776 222 2S -0.21847 -0.13308 -0.20374 0.00780 223 21 H 1S 0.05334 0.05465 0.06525 -0.09010 224 2S -0.15804 0.18122 0.20623 -0.00167 225 22 H 1S 0.00561 0.04032 -0.03361 -0.03644 226 2S 0.23337 -0.03665 -0.02937 -0.15906 227 23 H 1S -0.08587 -0.09107 0.01682 -0.00070 228 2S -0.09587 -0.13834 0.13580 0.15381 229 24 H 1S -0.00506 0.02054 -0.00234 0.01441 230 2S -0.05391 0.14045 -0.04915 0.02077 231 25 H 1S 0.01098 0.01493 0.00009 -0.00190 232 2S -0.04307 0.11644 -0.01267 0.04890 233 26 H 1S 0.00041 -0.01599 0.00596 -0.00025 234 2S 0.01334 0.21236 -0.00193 0.09674 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05052 2 2S -0.05253 0.29818 3 2PX -0.00048 0.00033 0.39743 4 2PY -0.00176 0.00249 0.00294 0.39334 5 2PZ -0.00137 0.00299 0.00099 -0.00988 0.39671 6 3S -0.18852 0.29317 0.01850 -0.04236 -0.02277 7 3PX -0.00104 0.00062 0.18834 0.00067 -0.00247 8 3PY 0.00134 0.00170 0.00345 0.20089 -0.00346 9 3PZ 0.00060 0.00267 -0.00045 -0.00638 0.19078 10 4XX -0.01858 0.00025 -0.01058 0.01525 -0.00808 11 4YY -0.01688 -0.00347 0.00810 -0.00229 -0.00966 12 4ZZ -0.01798 -0.00090 0.00123 -0.00844 0.02076 13 4XY -0.00052 0.00108 0.01727 0.00941 0.00066 14 4XZ -0.00023 0.00052 -0.01028 0.00081 0.00133 15 4YZ 0.00106 -0.00224 0.00077 -0.01247 -0.00943 16 2 C 1S 0.01288 -0.02391 -0.01346 0.06083 0.03981 17 2S -0.02405 0.04101 0.02733 -0.12517 -0.07913 18 2PX 0.01221 -0.02394 0.02577 0.05645 0.03149 19 2PY -0.05445 0.10625 0.05560 -0.21568 -0.14006 20 2PZ -0.03581 0.06963 0.03291 -0.14590 -0.07736 21 3S 0.00198 0.00971 0.02772 -0.11174 -0.09139 22 3PX 0.00077 -0.00380 -0.00182 0.00780 0.00492 23 3PY -0.00263 0.01552 0.00688 -0.03568 -0.01723 24 3PZ 0.00205 0.00648 0.00493 -0.00781 -0.01896 25 4XX 0.00107 -0.00253 -0.00520 0.00397 0.00194 26 4YY -0.00381 0.00591 0.00326 0.00551 -0.00755 27 4ZZ 0.00016 -0.00142 -0.00009 -0.00015 0.01248 28 4XY 0.00127 -0.00222 0.01026 0.00239 0.00256 29 4XZ 0.00106 -0.00191 0.00368 0.00277 -0.00015 30 4YZ -0.00495 0.00916 0.00295 -0.00893 0.00012 31 3 C 1S -0.00421 0.00871 0.00353 -0.01703 -0.00022 32 2S 0.00779 -0.01720 -0.00658 0.03550 -0.00256 33 2PX -0.00300 0.00685 -0.03685 -0.02147 -0.00368 34 2PY 0.01435 -0.03132 -0.02044 0.05271 0.01566 35 2PZ 0.00358 -0.00728 -0.00100 0.00221 -0.01271 36 3S 0.01092 -0.02306 -0.02058 0.08062 0.00069 37 3PX -0.00060 0.00163 -0.03732 -0.01118 -0.00579 38 3PY 0.00345 -0.00758 -0.01232 0.00939 0.02355 39 3PZ -0.00040 0.00063 0.00748 -0.03013 -0.01804 40 4XX -0.00055 0.00091 -0.00005 -0.00136 -0.00101 41 4YY -0.00142 0.00271 0.00212 -0.00811 -0.00263 42 4ZZ 0.00098 -0.00173 -0.00097 0.00477 0.00228 43 4XY 0.00027 -0.00056 0.00034 0.00210 0.00047 44 4XZ 0.00038 -0.00070 0.00011 0.00150 0.00049 45 4YZ -0.00184 0.00343 0.00163 -0.00703 -0.00256 46 4 C 1S 0.00176 -0.00431 -0.00179 0.00889 0.00134 47 2S -0.00461 0.00923 0.00448 -0.02024 -0.00640 48 2PX 0.00192 -0.00390 0.00116 0.00852 0.00290 49 2PY -0.00918 0.01866 0.00864 -0.03600 -0.01250 50 2PZ -0.00802 0.01651 0.00731 -0.03169 -0.00816 51 3S -0.00775 0.01862 0.00895 -0.06031 0.00397 52 3PX 0.00083 -0.00188 -0.00368 0.00379 0.00057 53 3PY -0.00458 0.01113 0.00586 -0.02678 -0.00168 54 3PZ -0.00721 0.01369 0.01024 -0.04168 -0.00303 55 4XX 0.00003 -0.00027 0.00032 0.00023 -0.00050 56 4YY 0.00049 -0.00107 -0.00093 0.00268 0.00131 57 4ZZ -0.00027 0.00039 0.00034 -0.00151 -0.00106 58 4XY -0.00014 0.00025 -0.00087 -0.00102 -0.00048 59 4XZ 0.00004 -0.00008 -0.00172 -0.00027 0.00003 60 4YZ -0.00020 0.00051 -0.00012 -0.00100 -0.00037 61 5 C 1S -0.00014 0.00009 -0.00227 0.00008 0.00052 62 2S 0.00010 -0.00045 0.00569 -0.00012 -0.00083 63 2PX -0.00013 0.00075 -0.00588 0.00092 0.00262 64 2PY -0.00001 -0.00040 0.00142 -0.00357 -0.00002 65 2PZ 0.00032 -0.00011 0.00408 0.00225 -0.00145 66 3S 0.00191 -0.00257 0.01427 0.00171 -0.00420 67 3PX 0.00005 0.00078 -0.00696 0.00378 0.00115 68 3PY 0.00031 0.00032 -0.00509 -0.00431 -0.00221 69 3PZ 0.00084 -0.00065 0.00612 0.00577 -0.00404 70 4XX -0.00016 0.00025 0.00034 -0.00038 -0.00036 71 4YY 0.00006 -0.00010 0.00006 0.00028 -0.00004 72 4ZZ -0.00015 0.00023 -0.00017 -0.00067 0.00001 73 4XY 0.00032 -0.00064 0.00009 0.00108 0.00051 74 4XZ 0.00015 -0.00030 0.00005 0.00085 -0.00004 75 4YZ -0.00021 0.00045 -0.00054 -0.00074 -0.00032 76 6 C 1S 0.00097 -0.00221 0.00126 0.00237 0.00270 77 2S -0.00260 0.00612 0.00171 -0.00915 -0.00898 78 2PX 0.00529 -0.01104 0.00199 0.01524 0.01570 79 2PY -0.00200 0.00481 -0.00413 -0.00564 -0.00475 80 2PZ -0.00231 0.00456 -0.00218 -0.00764 -0.00449 81 3S -0.00500 0.00796 -0.01354 -0.00647 -0.01716 82 3PX 0.00528 -0.01142 0.00600 0.02319 0.02918 83 3PY -0.00089 0.00254 -0.00946 -0.00147 -0.00062 84 3PZ -0.00077 -0.00089 -0.01286 0.00484 0.00626 85 4XX -0.00037 0.00090 0.00059 -0.00127 -0.00139 86 4YY 0.00008 -0.00012 0.00067 -0.00054 -0.00009 87 4ZZ 0.00061 -0.00099 -0.00016 0.00138 0.00133 88 4XY -0.00019 0.00038 0.00041 -0.00010 -0.00061 89 4XZ -0.00036 0.00075 0.00051 -0.00135 -0.00158 90 4YZ 0.00014 -0.00028 -0.00073 0.00012 0.00055 91 7 C 1S -0.00387 0.00743 0.00090 -0.00648 -0.01392 92 2S 0.00672 -0.01520 -0.00291 0.01268 0.02937 93 2PX -0.00188 0.00359 -0.00945 -0.00215 -0.00435 94 2PY 0.00807 -0.01915 -0.00374 0.00456 0.02060 95 2PZ 0.01433 -0.03084 -0.01024 0.04058 0.04754 96 3S 0.01808 -0.03036 0.00288 0.04110 0.08200 97 3PX 0.00021 0.00037 0.01153 0.00691 0.00293 98 3PY 0.00299 -0.00725 0.00232 -0.01878 -0.00406 99 3PZ 0.00942 -0.01507 -0.00927 0.03354 0.02760 100 4XX -0.00091 0.00151 0.00006 -0.00156 -0.00141 101 4YY -0.00017 0.00005 0.00024 0.00052 -0.00004 102 4ZZ 0.00004 -0.00028 -0.00003 -0.00055 -0.00145 103 4XY -0.00018 0.00033 0.00106 -0.00025 -0.00025 104 4XZ 0.00038 -0.00071 0.00023 0.00147 0.00142 105 4YZ -0.00164 0.00305 0.00149 -0.00595 -0.00627 106 8 C 1S 0.00080 -0.00207 -0.00236 0.00171 0.00247 107 2S -0.00216 0.00511 0.00345 -0.00691 -0.00684 108 2PX -0.00415 0.00869 0.00319 -0.01054 -0.01307 109 2PY -0.00348 0.00865 0.01045 -0.00842 -0.00941 110 2PZ -0.00176 0.00444 0.00774 -0.00614 -0.00345 111 3S -0.00333 0.00781 0.01555 -0.00884 -0.01892 112 3PX -0.00370 0.00788 0.00011 -0.01236 -0.02067 113 3PY -0.00273 0.00621 0.00870 -0.00627 -0.00952 114 3PZ -0.00037 0.00011 0.00773 0.00383 0.00354 115 4XX -0.00040 0.00094 0.00016 -0.00155 -0.00158 116 4YY 0.00011 -0.00019 -0.00012 -0.00052 0.00015 117 4ZZ 0.00057 -0.00108 -0.00088 0.00163 0.00143 118 4XY -0.00004 0.00019 0.00042 -0.00011 -0.00016 119 4XZ 0.00026 -0.00055 -0.00020 0.00108 0.00126 120 4YZ 0.00022 -0.00049 0.00027 0.00086 0.00109 121 9 C 1S -0.00007 -0.00000 0.00197 0.00149 0.00068 122 2S 0.00017 -0.00035 -0.00506 -0.00254 -0.00110 123 2PX 0.00027 -0.00034 -0.00409 -0.00182 -0.00253 124 2PY -0.00000 -0.00072 -0.00226 -0.00459 -0.00148 125 2PZ 0.00033 -0.00044 -0.00508 -0.00007 -0.00159 126 3S 0.00013 -0.00079 -0.01325 -0.01102 -0.00462 127 3PX 0.00021 -0.00098 -0.00273 -0.00241 0.00052 128 3PY 0.00010 -0.00046 0.00303 -0.00350 -0.00209 129 3PZ 0.00058 -0.00032 -0.00377 0.00090 -0.00379 130 4XX 0.00010 -0.00024 -0.00050 0.00021 0.00000 131 4YY -0.00013 0.00030 0.00026 -0.00025 -0.00028 132 4ZZ -0.00015 0.00024 0.00038 -0.00044 0.00000 133 4XY -0.00029 0.00055 0.00026 -0.00094 -0.00053 134 4XZ -0.00001 0.00001 -0.00007 -0.00031 0.00021 135 4YZ -0.00022 0.00051 0.00098 -0.00067 -0.00022 136 10 H 1S -0.00114 0.00267 0.00475 -0.00239 -0.00077 137 2S -0.00234 0.00544 0.01266 -0.00507 -0.00239 138 11 H 1S 0.00013 -0.00020 -0.00145 0.00152 -0.00011 139 2S 0.00005 -0.00029 0.00280 0.00242 0.00002 140 12 H 1S -0.00027 0.00141 0.00262 -0.00205 -0.00198 141 2S -0.00216 0.00452 -0.00598 -0.00765 -0.01236 142 13 H 1S 0.00181 -0.00410 -0.00443 0.00703 0.00543 143 2S 0.00433 -0.00946 -0.00395 0.01842 0.01814 144 14 H 1S 0.00583 -0.01365 -0.00262 0.01261 0.02019 145 2S 0.00520 -0.01065 -0.00799 0.03456 0.01621 146 15 C 1S 0.00034 -0.00003 0.00005 0.00045 0.00087 147 2S -0.00061 0.00034 -0.00104 -0.00097 -0.00083 148 2PX -0.00021 -0.00114 0.00487 0.00617 0.00203 149 2PY 0.00046 -0.00213 -0.00166 0.00123 0.00195 150 2PZ 0.00159 -0.00206 -0.00927 -0.00520 0.00212 151 3S -0.00403 0.00717 0.01580 -0.01011 -0.02084 152 3PX 0.00052 -0.00132 -0.00067 0.00881 0.00499 153 3PY -0.00085 -0.00045 0.00627 0.00697 0.00521 154 3PZ 0.00126 -0.00156 -0.00390 -0.00050 0.00243 155 4XX -0.00011 0.00046 0.00014 -0.00071 -0.00070 156 4YY 0.00007 -0.00002 0.00026 0.00004 0.00015 157 4ZZ 0.00009 -0.00011 0.00015 0.00040 0.00017 158 4XY -0.00025 0.00032 0.00042 0.00002 -0.00059 159 4XZ 0.00008 -0.00011 -0.00025 -0.00001 0.00027 160 4YZ 0.00028 -0.00038 -0.00046 0.00035 0.00064 161 16 O 1S -0.00004 -0.00001 -0.00006 0.00030 -0.00018 162 2S 0.00003 0.00020 0.00029 -0.00097 0.00010 163 2PX 0.00029 0.00049 -0.00135 -0.00086 -0.00109 164 2PY 0.00041 -0.00116 -0.00138 0.00071 0.00119 165 2PZ -0.00025 -0.00135 0.00305 0.00377 0.00113 166 3S 0.00042 -0.00088 0.00016 0.00047 0.00366 167 3PX 0.00013 0.00061 -0.00091 -0.00176 -0.00192 168 3PY 0.00028 -0.00082 -0.00278 -0.00124 0.00093 169 3PZ -0.00025 -0.00067 0.00309 0.00302 -0.00011 170 4XX -0.00001 -0.00001 -0.00018 -0.00001 -0.00003 171 4YY -0.00000 0.00002 -0.00005 -0.00005 -0.00010 172 4ZZ -0.00004 0.00007 0.00019 0.00010 -0.00004 173 4XY -0.00000 0.00005 0.00034 0.00027 -0.00005 174 4XZ -0.00003 0.00008 0.00011 -0.00009 0.00002 175 4YZ 0.00003 0.00002 -0.00027 -0.00017 0.00004 176 17 C 1S 0.00003 0.00003 -0.00002 -0.00038 0.00026 177 2S 0.00032 -0.00057 0.00087 0.00278 0.00033 178 2PX -0.00052 0.00058 -0.00040 -0.00294 -0.00020 179 2PY -0.00002 -0.00012 0.00055 0.00145 0.00017 180 2PZ 0.00014 -0.00065 0.00071 0.00034 0.00051 181 3S -0.00155 0.00169 -0.00636 -0.00700 -0.00127 182 3PX 0.00055 -0.00057 -0.00229 0.00174 0.00084 183 3PY -0.00011 0.00022 0.00303 -0.00022 -0.00103 184 3PZ 0.00047 -0.00101 -0.00374 0.00266 0.00208 185 4XX 0.00009 -0.00012 -0.00009 0.00017 0.00003 186 4YY 0.00000 -0.00009 0.00011 0.00011 0.00013 187 4ZZ 0.00007 -0.00002 -0.00031 0.00003 0.00025 188 4XY -0.00006 0.00016 0.00033 -0.00009 -0.00007 189 4XZ 0.00002 -0.00006 0.00032 0.00016 0.00016 190 4YZ -0.00001 -0.00000 -0.00006 0.00025 -0.00008 191 18 O 1S -0.00001 -0.00002 -0.00029 0.00006 0.00000 192 2S -0.00005 0.00003 -0.00018 -0.00050 0.00031 193 2PX 0.00022 -0.00032 -0.00114 0.00145 -0.00071 194 2PY 0.00027 -0.00000 -0.00045 -0.00020 0.00048 195 2PZ -0.00010 0.00124 0.00008 -0.00023 -0.00004 196 3S 0.00016 0.00026 0.00670 0.00059 -0.00153 197 3PX -0.00001 -0.00012 -0.00120 0.00051 -0.00045 198 3PY 0.00022 0.00012 0.00108 0.00002 -0.00010 199 3PZ -0.00014 0.00094 -0.00144 -0.00082 0.00009 200 4XX -0.00001 -0.00000 -0.00029 -0.00008 0.00013 201 4YY -0.00003 0.00003 -0.00020 -0.00008 0.00009 202 4ZZ -0.00004 -0.00000 -0.00029 -0.00015 0.00005 203 4XY -0.00002 -0.00000 -0.00002 -0.00000 0.00001 204 4XZ 0.00002 -0.00003 0.00016 0.00009 0.00002 205 4YZ -0.00000 0.00002 -0.00009 0.00000 0.00004 206 19 O 1S -0.00043 -0.00019 0.00161 0.00090 -0.00077 207 2S 0.00082 0.00034 -0.00341 -0.00233 0.00240 208 2PX -0.00321 0.00439 0.00818 0.00174 -0.00753 209 2PY 0.00092 0.00152 -0.00234 -0.00280 0.00053 210 2PZ 0.00328 -0.00435 -0.00874 0.00062 0.00703 211 3S 0.00272 -0.00062 -0.01265 -0.00492 0.00271 212 3PX -0.00208 0.00309 0.00499 -0.00111 -0.00559 213 3PY -0.00029 0.00170 0.00249 -0.00029 -0.00112 214 3PZ 0.00173 -0.00235 -0.00462 0.00098 0.00382 215 4XX 0.00001 -0.00002 0.00035 0.00005 0.00008 216 4YY 0.00004 -0.00024 -0.00027 -0.00008 0.00043 217 4ZZ 0.00002 -0.00000 0.00036 0.00006 0.00015 218 4XY 0.00016 -0.00019 -0.00063 -0.00027 0.00036 219 4XZ 0.00006 -0.00008 -0.00039 -0.00025 0.00022 220 4YZ -0.00018 0.00025 0.00083 0.00031 -0.00037 221 20 H 1S 0.00222 -0.00422 -0.00132 0.00706 0.00621 222 2S 0.00477 -0.00980 -0.00966 0.01736 0.01954 223 21 H 1S -0.00127 0.00259 -0.00260 -0.00396 -0.00111 224 2S -0.00250 0.00553 -0.00755 -0.00953 -0.00333 225 22 H 1S 0.00252 -0.00509 -0.00243 0.01103 0.00602 226 2S 0.00453 -0.00874 -0.00515 0.02578 0.00972 227 23 H 1S 0.00667 -0.01345 -0.00577 0.02677 0.00087 228 2S 0.00586 -0.01191 -0.00827 0.03526 0.02432 229 24 H 1S -0.05249 0.10074 0.17844 0.18400 -0.05749 230 2S -0.00686 0.02379 0.14530 0.15087 -0.04518 231 25 H 1S -0.05179 0.10014 -0.23650 0.09472 -0.06177 232 2S -0.00766 0.02544 -0.20703 0.08089 -0.05414 233 26 H 1S -0.05229 0.10156 0.00772 -0.05207 0.25853 234 2S -0.00764 0.02518 0.00510 -0.03943 0.22124 6 7 8 9 10 6 3S 0.32810 7 3PX 0.01174 0.09041 8 3PY -0.02628 0.00096 0.10621 9 3PZ -0.01391 -0.00208 -0.00127 0.09397 10 4XX 0.00021 -0.00477 0.00749 -0.00399 0.00128 11 4YY -0.00178 0.00371 -0.00101 -0.00416 -0.00001 12 4ZZ -0.00051 0.00035 -0.00400 0.00980 -0.00065 13 4XY 0.00117 0.00782 0.00471 0.00009 -0.00026 14 4XZ 0.00003 -0.00497 0.00027 0.00064 0.00024 15 4YZ -0.00079 0.00032 -0.00608 -0.00437 -0.00037 16 2 C 1S -0.00573 -0.00270 0.01781 0.00936 0.00234 17 2S 0.01676 0.00743 -0.04327 -0.02009 -0.00533 18 2PX -0.03496 0.02155 0.03221 0.01765 0.00525 19 2PY 0.15439 0.03144 -0.11410 -0.07888 -0.00607 20 2PZ 0.10657 0.02026 -0.08433 -0.03356 -0.00308 21 3S 0.00047 0.00877 -0.04201 -0.02888 -0.00426 22 3PX -0.00403 0.00626 0.00485 0.00262 0.00325 23 3PY 0.00855 0.00406 -0.01521 -0.00770 -0.00100 24 3PZ 0.01165 0.00413 -0.00595 -0.00999 0.00035 25 4XX -0.00167 -0.00203 0.00118 0.00028 0.00039 26 4YY 0.00811 0.00162 0.00207 -0.00393 0.00030 27 4ZZ -0.00298 -0.00022 0.00036 0.00560 -0.00031 28 4XY -0.00228 0.00440 0.00116 0.00106 -0.00042 29 4XZ -0.00276 0.00216 0.00155 -0.00004 0.00005 30 4YZ 0.01267 0.00168 -0.00523 -0.00011 -0.00032 31 3 C 1S 0.01556 0.00233 -0.00977 -0.00160 -0.00079 32 2S -0.02099 -0.00376 0.01801 -0.00211 0.00153 33 2PX 0.01743 -0.00476 -0.01319 -0.00631 0.00469 34 2PY -0.08993 -0.01150 0.04382 0.03093 0.00281 35 2PZ -0.04189 -0.00131 0.00815 -0.01026 -0.00033 36 3S -0.04285 -0.01058 0.04171 0.00099 0.00347 37 3PX 0.00544 -0.00804 -0.00597 -0.00429 0.00396 38 3PY -0.03277 -0.00554 0.01135 0.02003 0.00078 39 3PZ 0.00082 0.00393 -0.01509 -0.01108 -0.00102 40 4XX 0.00154 -0.00009 -0.00093 -0.00054 -0.00007 41 4YY 0.00382 0.00114 -0.00388 -0.00069 -0.00023 42 4ZZ -0.00352 -0.00058 0.00259 0.00046 0.00009 43 4XY -0.00081 0.00064 0.00109 0.00008 0.00024 44 4XZ -0.00162 -0.00013 0.00101 0.00041 -0.00004 45 4YZ 0.00767 0.00111 -0.00477 -0.00212 -0.00019 46 4 C 1S -0.00901 -0.00103 0.00539 0.00172 0.00013 47 2S 0.01704 0.00241 -0.01189 -0.00601 -0.00060 48 2PX -0.01348 -0.00282 0.00649 0.00403 -0.00047 49 2PY 0.06021 0.00644 -0.03225 -0.01547 -0.00102 50 2PZ 0.06710 0.00606 -0.02630 -0.01492 -0.00062 51 3S 0.03794 0.00556 -0.03501 -0.00150 -0.00205 52 3PX -0.00798 -0.00276 0.00260 0.00129 -0.00014 53 3PY 0.03627 0.00481 -0.02100 -0.00564 -0.00080 54 3PZ 0.03725 0.00578 -0.02529 -0.00663 -0.00166 55 4XX -0.00181 -0.00002 0.00034 0.00029 -0.00004 56 4YY -0.00095 -0.00043 0.00155 0.00086 0.00015 57 4ZZ 0.00097 0.00023 -0.00091 -0.00107 -0.00005 58 4XY -0.00023 -0.00023 -0.00054 -0.00011 0.00007 59 4XZ -0.00060 -0.00032 0.00010 0.00008 0.00019 60 4YZ 0.00264 0.00019 -0.00131 -0.00048 0.00003 61 5 C 1S 0.00361 -0.00062 -0.00127 0.00069 0.00029 62 2S -0.00797 0.00123 0.00222 -0.00032 -0.00081 63 2PX 0.00868 0.00064 -0.00146 0.00309 0.00093 64 2PY -0.00104 0.00167 0.00031 -0.00508 -0.00032 65 2PZ -0.01437 -0.00148 0.00111 0.00594 -0.00076 66 3S -0.01457 0.00247 0.00381 -0.00189 -0.00160 67 3PX 0.00712 -0.00137 -0.00026 0.00135 0.00091 68 3PY 0.00104 -0.00137 -0.00197 -0.00416 0.00021 69 3PZ -0.00643 0.00060 0.00239 0.00201 -0.00028 70 4XX -0.00016 0.00008 -0.00023 0.00002 -0.00003 71 4YY 0.00006 -0.00002 0.00021 -0.00018 0.00001 72 4ZZ 0.00096 0.00012 -0.00045 -0.00009 0.00001 73 4XY -0.00271 0.00001 0.00102 0.00063 -0.00003 74 4XZ -0.00095 -0.00004 0.00061 0.00019 -0.00000 75 4YZ 0.00201 -0.00005 -0.00081 -0.00022 0.00008 76 6 C 1S -0.00240 0.00104 0.00159 0.00081 0.00004 77 2S 0.01358 -0.00104 -0.00801 -0.00492 -0.00018 78 2PX -0.03624 0.00578 0.01545 0.00955 -0.00029 79 2PY 0.01440 -0.00333 -0.00923 0.00282 0.00038 80 2PZ 0.02643 -0.00302 -0.00888 -0.00768 0.00018 81 3S 0.01934 -0.00908 -0.00713 -0.00612 0.00013 82 3PX -0.03220 0.00443 0.01716 0.01645 -0.00015 83 3PY 0.00584 -0.00545 -0.00328 0.00251 0.00020 84 3PZ 0.00916 -0.00674 0.00179 0.00185 0.00072 85 4XX 0.00306 0.00051 -0.00102 -0.00080 -0.00001 86 4YY -0.00020 0.00029 -0.00007 -0.00047 -0.00009 87 4ZZ -0.00352 -0.00017 0.00110 0.00118 0.00001 88 4XY 0.00059 0.00039 -0.00007 -0.00009 -0.00001 89 4XZ 0.00105 0.00036 -0.00112 -0.00082 -0.00003 90 4YZ -0.00037 -0.00040 -0.00014 0.00036 0.00005 91 7 C 1S 0.01567 0.00114 -0.00699 -0.00589 0.00010 92 2S -0.01889 -0.00192 0.00945 0.01225 -0.00062 93 2PX 0.01617 -0.01303 -0.00321 -0.00217 0.00072 94 2PY -0.05273 -0.00611 0.01288 0.00615 -0.00159 95 2PZ -0.07880 -0.01187 0.04035 0.02846 -0.00127 96 3S -0.04821 0.00056 0.02750 0.03486 -0.00108 97 3PX -0.00129 0.00107 0.00234 0.00161 0.00007 98 3PY -0.01328 -0.00048 -0.00757 -0.00536 -0.00129 99 3PZ -0.03989 -0.00718 0.02519 0.01324 0.00001 100 4XX 0.00359 0.00015 -0.00189 -0.00064 0.00009 101 4YY 0.00041 0.00044 0.00019 -0.00069 0.00004 102 4ZZ -0.00302 -0.00049 0.00109 0.00025 -0.00011 103 4XY 0.00050 0.00093 -0.00030 0.00007 0.00001 104 4XZ -0.00117 0.00058 0.00094 0.00074 0.00017 105 4YZ 0.00529 0.00093 -0.00343 -0.00316 -0.00007 106 8 C 1S -0.00088 -0.00203 0.00114 0.00091 -0.00024 107 2S 0.00910 0.00555 -0.00512 -0.00375 0.00058 108 2PX 0.02865 0.00653 -0.00758 -0.00911 0.00029 109 2PY 0.02083 0.01195 -0.01360 0.00016 0.00052 110 2PZ 0.01308 0.01176 -0.00790 -0.00658 0.00055 111 3S 0.01275 0.01248 -0.00800 -0.00895 0.00106 112 3PX 0.01995 0.00256 -0.00846 -0.01153 0.00022 113 3PY 0.01144 0.00810 -0.00873 -0.00260 0.00045 114 3PZ 0.00094 0.00624 -0.00064 0.00021 0.00002 115 4XX 0.00225 0.00035 -0.00145 -0.00078 0.00007 116 4YY -0.00019 0.00011 -0.00017 -0.00032 -0.00002 117 4ZZ -0.00271 -0.00108 0.00154 0.00115 -0.00007 118 4XY 0.00119 0.00030 -0.00031 -0.00009 -0.00002 119 4XZ -0.00079 -0.00007 0.00076 0.00058 -0.00000 120 4YZ -0.00084 0.00008 0.00044 0.00067 -0.00006 121 9 C 1S 0.00246 0.00064 -0.00022 0.00089 -0.00022 122 2S -0.00663 -0.00147 0.00093 -0.00091 0.00049 123 2PX -0.01153 0.00101 0.00092 -0.00029 0.00055 124 2PY -0.00404 -0.00010 0.00211 -0.00699 0.00005 125 2PZ -0.01062 -0.00059 0.00123 0.00417 0.00080 126 3S -0.01165 -0.00316 -0.00285 -0.00294 0.00087 127 3PX -0.00899 0.00021 0.00028 0.00091 0.00018 128 3PY -0.00193 0.00095 0.00031 -0.00441 -0.00044 129 3PZ -0.00454 -0.00072 0.00100 0.00104 0.00053 130 4XX -0.00170 -0.00032 0.00037 0.00038 0.00003 131 4YY 0.00120 0.00038 -0.00033 -0.00037 0.00003 132 4ZZ 0.00124 -0.00004 -0.00042 -0.00011 -0.00007 133 4XY 0.00163 0.00021 -0.00078 -0.00033 -0.00002 134 4XZ -0.00025 -0.00001 -0.00004 -0.00005 -0.00001 135 4YZ 0.00187 0.00051 -0.00095 -0.00024 -0.00008 136 10 H 1S 0.01122 0.00201 -0.00462 -0.00095 -0.00039 137 2S 0.02149 0.00538 -0.00817 -0.00258 -0.00095 138 11 H 1S -0.00083 -0.00148 0.00050 0.00266 0.00018 139 2S -0.00140 -0.00045 0.00110 0.00259 -0.00027 140 12 H 1S -0.00216 0.00264 -0.00393 0.00039 0.00037 141 2S 0.00533 -0.00256 -0.00728 -0.00533 0.00039 142 13 H 1S -0.01300 -0.00695 0.00770 0.00624 -0.00033 143 2S -0.02515 -0.00866 0.01483 0.01289 -0.00084 144 14 H 1S -0.02824 -0.00142 0.01039 0.00533 -0.00049 145 2S -0.02922 -0.00430 0.02135 0.00479 0.00084 146 15 C 1S -0.00389 -0.00224 -0.00055 0.00042 0.00004 147 2S 0.00814 0.00317 0.00120 -0.00009 -0.00019 148 2PX 0.00630 0.00341 0.01157 -0.00003 -0.00019 149 2PY 0.00154 0.00166 0.00500 0.00009 -0.00010 150 2PZ -0.01409 -0.00872 -0.01564 0.00140 0.00017 151 3S 0.02163 0.01334 -0.00576 -0.01071 0.00033 152 3PX -0.00031 0.00031 0.00876 0.00373 0.00011 153 3PY -0.00071 0.00167 0.00401 0.00253 -0.00006 154 3PZ -0.01033 -0.00294 -0.00627 0.00233 0.00026 155 4XX 0.00079 -0.00038 -0.00090 -0.00030 0.00001 156 4YY -0.00129 0.00003 -0.00018 -0.00005 -0.00003 157 4ZZ -0.00005 -0.00002 0.00037 0.00020 0.00000 158 4XY 0.00257 0.00070 0.00061 -0.00013 -0.00001 159 4XZ -0.00040 -0.00029 -0.00024 0.00023 -0.00003 160 4YZ -0.00267 -0.00024 -0.00064 0.00071 0.00001 161 16 O 1S 0.00068 0.00107 0.00033 0.00021 0.00004 162 2S -0.00157 -0.00240 -0.00118 -0.00044 -0.00005 163 2PX -0.00704 0.00009 -0.00073 0.00075 0.00043 164 2PY 0.00074 -0.00160 -0.00056 0.00067 0.00003 165 2PZ 0.01503 0.00280 0.00564 0.00059 -0.00031 166 3S -0.00309 -0.00546 -0.00033 -0.00064 -0.00063 167 3PX -0.00543 0.00055 -0.00194 0.00043 0.00041 168 3PY 0.00066 -0.00174 -0.00088 0.00053 0.00006 169 3PZ 0.01198 0.00269 0.00472 0.00002 -0.00022 170 4XX 0.00036 -0.00001 -0.00017 0.00006 0.00001 171 4YY 0.00014 0.00008 0.00002 0.00001 0.00002 172 4ZZ -0.00010 0.00028 0.00020 0.00006 0.00005 173 4XY -0.00012 0.00019 0.00033 0.00003 -0.00001 174 4XZ -0.00044 0.00004 -0.00010 -0.00002 -0.00001 175 4YZ -0.00068 -0.00019 -0.00041 0.00005 0.00003 176 17 C 1S -0.00102 -0.00042 -0.00044 -0.00026 0.00003 177 2S -0.00117 0.00061 0.00236 0.00194 -0.00013 178 2PX 0.00760 -0.00074 -0.00243 -0.00421 0.00010 179 2PY -0.00157 0.00067 0.00296 0.00087 -0.00012 180 2PZ 0.00150 0.00084 0.00107 -0.00092 -0.00014 181 3S 0.00042 -0.00030 -0.00258 0.00160 0.00059 182 3PX 0.00076 -0.00152 0.00007 -0.00006 0.00020 183 3PY -0.00180 0.00202 0.00025 0.00029 0.00002 184 3PZ -0.00032 -0.00095 0.00246 0.00118 0.00024 185 4XX -0.00117 -0.00023 0.00013 0.00029 -0.00002 186 4YY 0.00093 -0.00002 0.00020 -0.00021 -0.00002 187 4ZZ -0.00046 -0.00001 -0.00012 0.00012 0.00003 188 4XY -0.00000 0.00011 -0.00007 0.00018 -0.00002 189 4XZ -0.00014 0.00013 0.00015 0.00014 -0.00003 190 4YZ 0.00064 -0.00001 0.00019 0.00017 0.00002 191 18 O 1S 0.00014 -0.00039 -0.00017 0.00021 0.00003 192 2S 0.00047 0.00068 0.00021 -0.00034 0.00000 193 2PX -0.00541 -0.00242 0.00081 0.00185 0.00007 194 2PY -0.00536 -0.00109 -0.00197 0.00118 -0.00001 195 2PZ -0.00737 0.00088 -0.00070 0.00328 0.00001 196 3S -0.00260 0.00313 0.00080 -0.00094 -0.00041 197 3PX -0.00315 -0.00174 0.00043 0.00141 0.00005 198 3PY -0.00456 -0.00049 -0.00144 0.00082 -0.00014 199 3PZ -0.00426 0.00000 -0.00116 0.00207 0.00010 200 4XX 0.00008 -0.00004 -0.00004 0.00009 0.00002 201 4YY -0.00003 -0.00011 -0.00009 0.00010 0.00000 202 4ZZ 0.00061 -0.00015 -0.00010 -0.00012 0.00002 203 4XY 0.00000 -0.00007 0.00003 0.00001 0.00000 204 4XZ 0.00021 0.00009 0.00005 -0.00002 -0.00001 205 4YZ -0.00013 0.00003 0.00005 0.00009 0.00001 206 19 O 1S 0.00722 0.00269 0.00308 -0.00127 -0.00009 207 2S -0.01495 -0.00541 -0.00633 0.00316 0.00009 208 2PX 0.03236 0.00836 0.00937 -0.00110 -0.00013 209 2PY -0.01969 -0.00912 -0.01363 0.00279 0.00033 210 2PZ -0.03231 -0.00677 -0.01641 0.00797 0.00006 211 3S -0.02722 -0.01305 -0.01148 0.00410 0.00008 212 3PX 0.02332 0.00550 0.00463 -0.00115 -0.00013 213 3PY -0.00926 -0.00288 -0.00688 0.00097 0.00025 214 3PZ -0.02101 -0.00391 -0.01022 0.00495 -0.00002 215 4XX 0.00010 0.00014 -0.00004 -0.00002 0.00001 216 4YY 0.00171 0.00052 0.00092 0.00006 -0.00002 217 4ZZ 0.00005 0.00016 -0.00013 0.00009 0.00001 218 4XY -0.00161 -0.00050 -0.00070 0.00012 0.00001 219 4XZ 0.00029 -0.00014 0.00002 0.00009 -0.00001 220 4YZ 0.00175 0.00060 0.00122 -0.00038 -0.00000 221 20 H 1S -0.02201 -0.00049 0.00663 0.00727 -0.00006 222 2S -0.03254 -0.00450 0.01387 0.01411 0.00048 223 21 H 1S 0.01423 0.00036 -0.00403 -0.00207 0.00046 224 2S 0.02504 -0.00078 -0.00903 -0.00378 0.00093 225 22 H 1S -0.01377 -0.00210 0.01111 0.00456 0.00034 226 2S -0.01716 -0.00291 0.01867 0.00620 0.00095 227 23 H 1S -0.03614 -0.00363 0.01734 -0.00462 0.00058 228 2S -0.04128 -0.00557 0.02372 0.00878 0.00035 229 24 H 1S 0.09263 0.08390 0.09437 -0.02810 0.00345 230 2S 0.01054 0.06587 0.07526 -0.02134 0.00206 231 25 H 1S 0.08304 -0.11056 0.04711 -0.02880 0.01202 232 2S 0.00785 -0.09525 0.04025 -0.02484 0.01074 233 26 H 1S 0.08998 0.00178 -0.02475 0.12431 -0.00696 234 2S 0.00962 0.00015 -0.01704 0.10547 -0.00623 11 12 13 14 15 11 4YY 0.00094 12 4ZZ -0.00046 0.00166 13 4XY 0.00035 -0.00006 0.00138 14 4XZ -0.00019 -0.00001 -0.00028 0.00033 15 4YZ 0.00032 -0.00011 -0.00025 -0.00010 0.00075 16 2 C 1S -0.00441 -0.00033 0.00173 0.00102 -0.00499 17 2S 0.00711 -0.00044 -0.00314 -0.00189 0.00919 18 2PX -0.00327 -0.00042 -0.00890 -0.00444 -0.00343 19 2PY -0.00256 0.00216 -0.00344 -0.00339 0.01032 20 2PZ 0.00938 -0.00945 -0.00330 -0.00025 0.00145 21 3S 0.00605 -0.00135 -0.00263 -0.00195 0.00884 22 3PX -0.00277 -0.00013 -0.00722 -0.00253 -0.00101 23 3PY -0.00086 0.00104 -0.00195 -0.00097 0.00182 24 3PZ 0.00206 -0.00303 -0.00031 0.00011 -0.00068 25 4XX -0.00037 -0.00006 -0.00027 0.00011 -0.00034 26 4YY 0.00039 -0.00074 0.00045 0.00002 -0.00017 27 4ZZ -0.00059 0.00101 0.00009 0.00002 -0.00015 28 4XY 0.00024 0.00017 0.00095 -0.00010 -0.00006 29 4XZ 0.00007 -0.00008 0.00006 -0.00011 -0.00008 30 4YZ -0.00016 0.00026 -0.00001 -0.00008 0.00024 31 3 C 1S -0.00184 0.00150 0.00023 -0.00020 0.00069 32 2S 0.00358 -0.00305 -0.00028 0.00040 -0.00131 33 2PX -0.00665 0.00122 -0.01233 -0.00282 -0.00019 34 2PY 0.00724 -0.00580 -0.00446 0.00001 -0.00248 35 2PZ -0.00073 0.00076 -0.00019 -0.00007 -0.00004 36 3S 0.00286 -0.00385 -0.00009 0.00086 -0.00315 37 3PX -0.00430 0.00019 -0.00965 -0.00181 -0.00019 38 3PY 0.00175 -0.00117 -0.00294 -0.00007 -0.00143 39 3PZ 0.00064 -0.00032 -0.00040 -0.00025 0.00102 40 4XX -0.00008 0.00004 0.00016 0.00005 0.00005 41 4YY 0.00026 -0.00011 -0.00029 -0.00013 0.00029 42 4ZZ -0.00038 0.00033 0.00015 0.00002 -0.00011 43 4XY -0.00026 0.00003 -0.00035 -0.00017 -0.00012 44 4XZ 0.00011 -0.00000 0.00019 0.00005 -0.00001 45 4YZ -0.00013 0.00001 0.00003 -0.00002 0.00014 46 4 C 1S 0.00046 -0.00037 -0.00005 0.00006 -0.00018 47 2S -0.00108 0.00069 0.00009 -0.00019 0.00072 48 2PX 0.00111 -0.00031 0.00151 0.00073 -0.00013 49 2PY -0.00197 0.00126 0.00073 -0.00009 0.00115 50 2PZ -0.00146 0.00073 0.00045 -0.00019 0.00113 51 3S -0.00119 0.00165 -0.00087 -0.00043 0.00147 52 3PX 0.00046 -0.00010 0.00062 0.00048 -0.00001 53 3PY -0.00096 0.00076 0.00015 -0.00008 0.00062 54 3PZ -0.00058 0.00108 0.00012 -0.00024 0.00126 55 4XX 0.00009 -0.00004 0.00008 0.00002 -0.00000 56 4YY 0.00010 -0.00012 -0.00009 0.00001 -0.00010 57 4ZZ -0.00007 0.00006 -0.00000 -0.00002 0.00007 58 4XY -0.00012 0.00003 -0.00026 -0.00004 0.00002 59 4XZ -0.00017 -0.00000 -0.00048 -0.00010 -0.00003 60 4YZ -0.00008 0.00002 -0.00008 -0.00002 0.00002 61 5 C 1S -0.00018 -0.00002 -0.00067 -0.00015 0.00004 62 2S 0.00059 0.00001 0.00154 0.00038 -0.00001 63 2PX -0.00070 -0.00005 -0.00161 -0.00052 -0.00017 64 2PY 0.00004 0.00004 -0.00005 0.00012 -0.00005 65 2PZ 0.00100 -0.00024 0.00187 0.00058 -0.00000 66 3S 0.00164 -0.00039 0.00331 0.00065 -0.00013 67 3PX -0.00041 -0.00032 -0.00104 -0.00020 -0.00024 68 3PY -0.00043 -0.00005 -0.00092 -0.00003 -0.00005 69 3PZ 0.00092 -0.00060 0.00143 0.00031 -0.00007 70 4XX 0.00001 0.00001 0.00005 -0.00001 0.00002 71 4YY 0.00007 -0.00005 0.00004 0.00001 -0.00002 72 4ZZ -0.00010 0.00007 -0.00009 -0.00003 0.00004 73 4XY 0.00005 0.00002 0.00006 0.00003 -0.00002 74 4XZ 0.00009 -0.00006 0.00007 0.00002 -0.00003 75 4YZ -0.00009 -0.00001 -0.00016 -0.00005 0.00001 76 6 C 1S -0.00023 0.00062 -0.00033 -0.00007 0.00016 77 2S 0.00089 -0.00114 0.00087 0.00024 -0.00002 78 2PX -0.00088 0.00194 -0.00012 0.00010 0.00013 79 2PY 0.00041 -0.00088 0.00008 0.00000 -0.00018 80 2PZ 0.00057 -0.00104 0.00042 0.00013 -0.00035 81 3S 0.00195 -0.00230 0.00154 0.00128 0.00003 82 3PX -0.00088 0.00216 0.00020 -0.00014 -0.00057 83 3PY 0.00042 -0.00064 0.00019 0.00044 -0.00033 84 3PZ -0.00015 -0.00037 -0.00063 0.00025 -0.00062 85 4XX 0.00009 -0.00014 0.00007 0.00002 0.00000 86 4YY 0.00004 0.00001 0.00009 0.00001 0.00000 87 4ZZ -0.00015 0.00022 -0.00008 -0.00005 0.00006 88 4XY 0.00003 -0.00004 0.00008 0.00002 0.00003 89 4XZ 0.00018 -0.00021 0.00005 0.00004 -0.00003 90 4YZ -0.00009 0.00008 -0.00011 -0.00004 0.00002 91 7 C 1S 0.00092 -0.00218 -0.00025 0.00012 -0.00044 92 2S -0.00192 0.00374 0.00043 -0.00007 0.00038 93 2PX -0.00029 -0.00067 -0.00093 -0.00078 -0.00016 94 2PY -0.00092 0.00287 -0.00046 -0.00022 -0.00028 95 2PZ -0.00511 0.00937 0.00092 -0.00086 0.00334 96 3S -0.00430 0.00721 0.00143 -0.00018 -0.00125 97 3PX 0.00010 0.00002 0.00039 -0.00079 -0.00027 98 3PY -0.00032 0.00113 -0.00017 -0.00020 0.00076 99 3PZ -0.00324 0.00450 0.00071 -0.00020 0.00071 100 4XX 0.00012 -0.00030 -0.00001 0.00003 -0.00010 101 4YY 0.00008 -0.00018 -0.00001 0.00004 -0.00019 102 4ZZ 0.00003 0.00023 -0.00005 -0.00007 0.00035 103 4XY 0.00001 -0.00003 0.00000 -0.00002 0.00002 104 4XZ -0.00017 0.00004 -0.00037 -0.00014 -0.00010 105 4YZ 0.00001 -0.00015 -0.00012 -0.00010 0.00031 106 8 C 1S -0.00002 0.00047 0.00029 -0.00001 0.00009 107 2S 0.00013 -0.00092 -0.00095 -0.00023 -0.00014 108 2PX 0.00054 -0.00146 -0.00039 0.00017 -0.00003 109 2PY 0.00066 -0.00140 -0.00006 0.00025 -0.00012 110 2PZ 0.00038 -0.00093 -0.00027 0.00007 -0.00035 111 3S 0.00055 -0.00194 -0.00151 -0.00090 -0.00004 112 3PX 0.00054 -0.00138 -0.00034 0.00011 0.00044 113 3PY 0.00035 -0.00104 -0.00049 -0.00017 -0.00010 114 3PZ 0.00060 -0.00043 0.00090 0.00022 -0.00044 115 4XX 0.00002 -0.00015 -0.00012 -0.00003 0.00001 116 4YY -0.00001 0.00001 -0.00006 0.00001 -0.00002 117 4ZZ -0.00009 0.00023 0.00011 0.00001 0.00007 118 4XY 0.00005 -0.00004 0.00007 0.00003 -0.00001 119 4XZ -0.00009 0.00014 0.00004 0.00000 0.00001 120 4YZ -0.00004 0.00016 0.00016 0.00004 0.00005 121 9 C 1S 0.00029 -0.00000 0.00066 0.00014 0.00010 122 2S -0.00058 -0.00001 -0.00158 -0.00035 -0.00018 123 2PX -0.00058 0.00007 -0.00155 -0.00046 -0.00001 124 2PY -0.00027 -0.00000 -0.00098 -0.00044 -0.00015 125 2PZ -0.00057 -0.00021 -0.00209 -0.00053 -0.00022 126 3S -0.00108 -0.00004 -0.00356 -0.00060 -0.00019 127 3PX -0.00040 0.00030 -0.00094 -0.00026 0.00006 128 3PY 0.00020 0.00001 0.00033 -0.00010 -0.00001 129 3PZ -0.00012 -0.00040 -0.00102 -0.00021 -0.00008 130 4XX -0.00002 0.00000 -0.00011 -0.00002 -0.00001 131 4YY 0.00003 -0.00005 0.00000 0.00001 -0.00000 132 4ZZ -0.00002 0.00007 0.00014 0.00002 0.00005 133 4XY -0.00004 0.00001 0.00000 -0.00000 0.00003 134 4XZ -0.00005 0.00006 -0.00002 -0.00002 0.00001 135 4YZ 0.00003 0.00002 0.00021 0.00004 0.00004 136 10 H 1S 0.00021 0.00008 0.00123 0.00035 0.00022 137 2S 0.00068 -0.00000 0.00267 0.00052 0.00039 138 11 H 1S -0.00002 -0.00017 -0.00035 0.00003 -0.00012 139 2S 0.00032 -0.00005 0.00068 0.00020 0.00002 140 12 H 1S 0.00007 -0.00034 -0.00034 -0.00017 -0.00007 141 2S 0.00025 -0.00081 -0.00034 0.00014 0.00028 142 13 H 1S -0.00047 0.00097 0.00027 -0.00008 0.00028 143 2S -0.00061 0.00205 0.00166 0.00025 0.00018 144 14 H 1S 0.00002 0.00081 -0.00010 0.00028 -0.00146 145 2S 0.00058 -0.00075 -0.00011 0.00045 -0.00233 146 15 C 1S 0.00008 0.00026 -0.00005 0.00006 0.00004 147 2S 0.00012 -0.00049 0.00056 0.00022 -0.00009 148 2PX -0.00040 0.00026 -0.00005 -0.00020 -0.00010 149 2PY -0.00050 0.00013 -0.00019 -0.00018 0.00004 150 2PZ -0.00004 0.00019 -0.00070 0.00001 0.00015 151 3S -0.00015 -0.00117 -0.00072 -0.00090 0.00041 152 3PX -0.00003 0.00009 0.00011 0.00011 -0.00032 153 3PY -0.00013 0.00042 0.00048 -0.00019 -0.00015 154 3PZ -0.00008 0.00009 -0.00067 -0.00011 -0.00005 155 4XX 0.00007 -0.00005 0.00002 -0.00001 0.00001 156 4YY 0.00002 0.00003 0.00004 0.00001 0.00000 157 4ZZ -0.00001 0.00004 -0.00001 0.00000 0.00002 158 4XY 0.00005 -0.00010 0.00008 0.00003 -0.00002 159 4XZ 0.00001 0.00001 0.00006 0.00004 -0.00000 160 4YZ 0.00000 0.00006 0.00001 0.00002 0.00000 161 16 O 1S -0.00003 -0.00005 -0.00009 -0.00004 -0.00002 162 2S 0.00005 0.00011 0.00002 0.00005 0.00003 163 2PX 0.00014 -0.00008 -0.00049 -0.00010 -0.00005 164 2PY -0.00004 0.00003 -0.00012 -0.00002 -0.00003 165 2PZ -0.00002 -0.00008 0.00080 0.00031 0.00004 166 3S 0.00042 0.00049 0.00148 0.00052 0.00012 167 3PX 0.00003 -0.00013 -0.00066 -0.00017 -0.00003 168 3PY -0.00012 0.00003 -0.00030 -0.00001 0.00001 169 3PZ 0.00003 -0.00013 0.00060 0.00021 0.00002 170 4XX -0.00002 -0.00002 -0.00004 -0.00001 -0.00001 171 4YY -0.00003 -0.00001 -0.00005 -0.00002 -0.00000 172 4ZZ -0.00004 0.00001 -0.00010 -0.00004 -0.00001 173 4XY 0.00001 -0.00000 0.00003 -0.00000 -0.00001 174 4XZ 0.00002 0.00000 0.00003 0.00000 -0.00000 175 4YZ -0.00001 0.00001 -0.00006 -0.00001 0.00000 176 17 C 1S 0.00002 0.00005 -0.00004 0.00000 0.00002 177 2S 0.00019 -0.00011 0.00049 0.00007 -0.00009 178 2PX -0.00028 0.00017 -0.00045 -0.00007 0.00017 179 2PY -0.00002 -0.00003 0.00018 0.00008 -0.00003 180 2PZ 0.00006 0.00014 0.00025 0.00010 0.00008 181 3S -0.00102 0.00027 -0.00217 -0.00056 0.00013 182 3PX -0.00005 -0.00010 -0.00010 0.00006 -0.00008 183 3PY 0.00024 -0.00020 -0.00013 -0.00013 -0.00005 184 3PZ -0.00031 0.00011 -0.00033 0.00002 -0.00010 185 4XX 0.00004 -0.00001 0.00006 0.00003 -0.00000 186 4YY -0.00001 0.00001 0.00003 0.00002 0.00000 187 4ZZ -0.00003 0.00002 -0.00005 -0.00002 -0.00001 188 4XY 0.00003 0.00000 0.00008 0.00001 0.00001 189 4XZ 0.00003 0.00000 0.00008 0.00001 -0.00000 190 4YZ -0.00001 -0.00002 -0.00000 0.00000 -0.00000 191 18 O 1S -0.00000 -0.00001 -0.00005 0.00001 0.00000 192 2S -0.00011 0.00008 -0.00004 -0.00005 -0.00000 193 2PX 0.00003 -0.00015 -0.00007 0.00005 -0.00001 194 2PY 0.00021 0.00006 0.00018 -0.00002 0.00007 195 2PZ 0.00017 -0.00005 0.00024 -0.00006 -0.00004 196 3S 0.00066 -0.00023 0.00096 0.00008 -0.00005 197 3PX -0.00005 -0.00005 -0.00011 0.00002 0.00002 198 3PY 0.00032 -0.00001 0.00045 0.00005 0.00005 199 3PZ -0.00004 0.00004 -0.00007 -0.00008 -0.00000 200 4XX -0.00004 0.00002 -0.00004 -0.00001 0.00000 201 4YY -0.00002 0.00002 -0.00001 -0.00000 0.00001 202 4ZZ -0.00005 0.00001 -0.00008 -0.00001 0.00000 203 4XY -0.00001 -0.00000 -0.00001 0.00000 0.00000 204 4XZ 0.00002 -0.00001 0.00003 0.00000 -0.00000 205 4YZ -0.00001 0.00000 -0.00002 -0.00000 -0.00000 206 19 O 1S -0.00016 -0.00019 0.00013 -0.00009 -0.00002 207 2S 0.00013 0.00040 -0.00033 0.00013 0.00006 208 2PX 0.00038 -0.00104 0.00059 0.00014 -0.00021 209 2PY 0.00056 0.00044 -0.00035 0.00015 0.00010 210 2PZ 0.00016 0.00050 0.00004 0.00027 0.00006 211 3S 0.00067 0.00037 -0.00037 0.00063 0.00010 212 3PX 0.00024 -0.00073 0.00038 0.00011 -0.00010 213 3PY 0.00024 0.00021 -0.00018 -0.00010 0.00005 214 3PZ 0.00019 0.00031 0.00026 0.00021 0.00006 215 4XX -0.00003 0.00002 -0.00002 -0.00003 -0.00000 216 4YY -0.00008 0.00000 -0.00001 -0.00001 -0.00001 217 4ZZ -0.00003 0.00003 -0.00002 -0.00002 0.00000 218 4XY -0.00001 0.00004 -0.00003 0.00000 0.00001 219 4XZ -0.00001 0.00001 -0.00001 0.00002 -0.00000 220 4YZ -0.00000 -0.00003 0.00002 -0.00002 -0.00001 221 20 H 1S -0.00064 0.00103 -0.00029 -0.00009 0.00028 222 2S -0.00179 0.00213 -0.00140 -0.00029 0.00001 223 21 H 1S -0.00063 0.00005 -0.00088 -0.00033 0.00007 224 2S -0.00115 -0.00008 -0.00202 -0.00049 0.00014 225 22 H 1S 0.00072 -0.00054 -0.00011 0.00007 -0.00036 226 2S 0.00096 -0.00100 -0.00007 0.00019 -0.00097 227 23 H 1S -0.00077 0.00079 0.00030 0.00013 -0.00069 228 2S -0.00238 0.00281 0.00059 0.00014 -0.00096 229 24 H 1S 0.00366 -0.00647 0.01317 -0.00385 -0.00489 230 2S 0.00432 -0.00548 0.01178 -0.00275 -0.00361 231 25 H 1S -0.00487 -0.00620 -0.00881 0.00600 -0.00300 232 2S -0.00391 -0.00577 -0.00941 0.00471 -0.00238 233 26 H 1S -0.00723 0.01507 0.00010 0.00068 -0.00507 234 2S -0.00640 0.01365 0.00001 0.00041 -0.00365 16 17 18 19 20 16 2 C 1S 2.05423 17 2S -0.06401 0.33068 18 2PX -0.00067 -0.00203 0.34097 19 2PY 0.00437 -0.00558 -0.01712 0.42501 20 2PZ -0.00269 0.00291 0.00064 -0.00817 0.40523 21 3S -0.16860 0.25887 -0.00014 0.01635 -0.01300 22 3PX -0.00144 -0.00363 0.21256 0.03111 0.00237 23 3PY -0.00200 0.01721 0.02962 0.07622 -0.01332 24 3PZ 0.01064 -0.02085 0.00355 -0.01652 0.09317 25 4XX -0.01109 -0.01482 0.00489 0.00157 0.00126 26 4YY -0.01608 -0.00381 -0.00460 -0.00430 0.01139 27 4ZZ -0.01580 -0.00488 -0.00129 0.00492 -0.01540 28 4XY 0.00138 -0.00290 -0.01180 -0.00150 -0.00283 29 4XZ 0.00021 -0.00045 0.00397 -0.00187 0.00038 30 4YZ -0.00030 0.00045 -0.00219 0.01216 0.00132 31 3 C 1S 0.02004 -0.03919 -0.01564 0.07716 -0.03571 32 2S -0.03861 0.06514 0.02679 -0.14849 0.07366 33 2PX 0.01707 -0.03735 0.29192 0.12100 -0.02328 34 2PY -0.07758 0.15567 0.11946 -0.23864 0.12988 35 2PZ 0.03150 -0.05853 -0.01823 0.11149 -0.02223 36 3S -0.00370 0.03235 0.03659 -0.16248 0.06565 37 3PX 0.00359 -0.01221 0.21811 0.06640 -0.00855 38 3PY -0.01382 0.04177 0.06685 -0.07431 0.05986 39 3PZ 0.00303 -0.01463 -0.01184 0.05333 0.02235 40 4XX 0.00214 -0.00455 -0.00582 0.00604 -0.00162 41 4YY -0.00449 0.00768 0.00411 0.00216 0.00819 42 4ZZ 0.00227 -0.00540 -0.00150 0.00503 -0.01208 43 4XY 0.00172 -0.00322 0.01230 0.00400 -0.00234 44 4XZ -0.00083 0.00167 -0.00482 -0.00336 -0.00120 45 4YZ 0.00399 -0.00793 -0.00348 0.01096 0.00591 46 4 C 1S -0.00332 0.00719 0.00188 -0.01191 -0.00002 47 2S 0.00800 -0.01719 -0.00646 0.03398 0.00020 48 2PX -0.00348 0.00837 -0.03210 -0.01845 0.00038 49 2PY 0.01526 -0.03590 -0.01932 0.04734 -0.00577 50 2PZ 0.00599 -0.01876 -0.01019 0.02488 0.00420 51 3S 0.00593 -0.01301 -0.00258 0.05234 0.02250 52 3PX -0.00198 0.00437 -0.02019 -0.01014 -0.00029 53 3PY 0.00824 -0.01880 -0.00906 0.02637 0.00250 54 3PZ 0.00493 -0.00970 -0.01697 0.04107 0.01414 55 4XX 0.00007 -0.00002 -0.00256 0.00085 0.00002 56 4YY -0.00194 0.00399 0.00417 -0.00887 0.00181 57 4ZZ 0.00111 -0.00219 -0.00088 0.00493 -0.00038 58 4XY 0.00055 -0.00112 0.00539 0.00429 -0.00051 59 4XZ 0.00004 -0.00008 0.01066 0.00253 0.00014 60 4YZ 0.00002 -0.00055 0.00222 -0.00006 0.00057 61 5 C 1S -0.00192 0.00316 0.01488 -0.00014 -0.00347 62 2S 0.00345 -0.00471 -0.03708 0.00099 0.00473 63 2PX -0.00448 0.00670 0.03778 -0.00489 -0.00551 64 2PY 0.00393 -0.00672 0.00098 0.00285 0.01736 65 2PZ 0.00138 -0.00126 -0.04446 0.00074 -0.00732 66 3S 0.00614 -0.01162 -0.07691 -0.00787 0.02373 67 3PX -0.00234 0.00379 0.02477 -0.01252 -0.00076 68 3PY 0.00271 -0.00776 0.01739 0.00527 0.01420 69 3PZ -0.00000 -0.00028 -0.02704 -0.00641 -0.00033 70 4XX 0.00018 -0.00027 -0.00141 0.00128 -0.00063 71 4YY -0.00015 0.00005 -0.00075 -0.00124 0.00155 72 4ZZ -0.00024 0.00042 0.00196 0.00116 -0.00139 73 4XY -0.00025 0.00075 -0.00155 -0.00091 -0.00048 74 4XZ -0.00023 0.00053 -0.00154 -0.00143 0.00046 75 4YZ 0.00001 -0.00052 0.00373 0.00107 -0.00006 76 6 C 1S -0.00310 0.00520 0.00676 0.00077 -0.00951 77 2S 0.00641 -0.01594 -0.02113 0.00316 0.02793 78 2PX -0.00728 0.01745 -0.00094 -0.00811 -0.03015 79 2PY 0.00382 -0.01186 -0.00361 0.00144 0.01106 80 2PZ 0.00903 -0.02247 -0.00510 0.00176 0.02844 81 3S 0.00789 -0.01294 -0.05724 -0.01473 0.04201 82 3PX -0.00997 0.01827 0.01302 -0.02293 -0.04179 83 3PY 0.00257 -0.00829 -0.01416 -0.01064 0.01620 84 3PZ 0.00588 -0.00761 0.01529 -0.01099 0.00547 85 4XX 0.00046 -0.00163 -0.00238 0.00071 0.00269 86 4YY 0.00012 -0.00081 -0.00252 0.00003 0.00242 87 4ZZ -0.00172 0.00342 0.00279 0.00070 -0.00746 88 4XY 0.00003 -0.00008 -0.00221 0.00005 -0.00007 89 4XZ 0.00098 -0.00242 -0.00273 -0.00077 0.00810 90 4YZ -0.00066 0.00097 0.00268 0.00058 -0.00278 91 7 C 1S 0.01226 -0.02266 0.00073 -0.00402 0.06395 92 2S -0.02000 0.03602 -0.00309 0.01035 -0.12539 93 2PX 0.00032 -0.00173 0.04432 0.00777 0.00100 94 2PY 0.00027 0.00328 0.00914 0.01044 0.00120 95 2PZ -0.06954 0.14248 -0.00220 0.02829 -0.32630 96 3S -0.00539 0.01120 0.00421 0.00089 -0.18173 97 3PX -0.00164 0.00270 0.02036 -0.00297 -0.00487 98 3PY 0.00632 -0.00796 -0.00892 0.03525 0.00698 99 3PZ -0.01532 0.03586 -0.00294 0.02030 -0.15755 100 4XX 0.00295 -0.00613 0.00004 0.00048 0.00933 101 4YY 0.00302 -0.00583 0.00021 -0.00146 0.00963 102 4ZZ -0.00733 0.01365 0.00014 -0.00017 -0.01107 103 4XY -0.00004 -0.00010 0.00010 0.00044 -0.00004 104 4XZ -0.00006 0.00009 0.01193 0.00019 -0.00062 105 4YZ 0.00036 -0.00065 0.00007 0.01199 0.00124 106 8 C 1S -0.00306 0.00537 -0.00623 -0.00259 -0.00914 107 2S 0.00515 -0.01455 0.01837 0.00983 0.02403 108 2PX 0.00438 -0.00924 -0.00697 0.00510 0.02089 109 2PY 0.00610 -0.01634 -0.00063 0.00457 0.02012 110 2PZ 0.00911 -0.02367 0.00167 0.00258 0.02882 111 3S 0.01260 -0.01855 0.04462 0.02156 0.04141 112 3PX 0.00385 -0.00680 -0.00885 0.01526 0.02114 113 3PY 0.00628 -0.01384 0.01464 0.00890 0.02381 114 3PZ 0.00893 -0.01146 -0.01769 -0.01275 0.01415 115 4XX 0.00067 -0.00205 0.00273 0.00222 0.00316 116 4YY 0.00010 -0.00078 0.00069 0.00023 0.00219 117 4ZZ -0.00192 0.00402 -0.00239 -0.00088 -0.00808 118 4XY -0.00003 -0.00006 -0.00197 -0.00068 0.00004 119 4XZ -0.00052 0.00143 -0.00064 -0.00023 -0.00552 120 4YZ -0.00091 0.00191 -0.00349 -0.00064 -0.00571 121 9 C 1S -0.00197 0.00393 -0.01317 -0.00674 -0.00433 122 2S 0.00381 -0.00634 0.03223 0.01514 0.00697 123 2PX 0.00276 -0.00333 0.03134 0.01724 -0.00004 124 2PY 0.00559 -0.01124 0.01415 0.01087 0.02000 125 2PZ 0.00129 -0.00298 0.04144 0.01972 -0.00585 126 3S 0.00569 -0.01411 0.06689 0.03410 0.02402 127 3PX 0.00189 -0.00135 0.01700 0.01420 -0.00377 128 3PY 0.00289 -0.00792 -0.01118 0.00429 0.01567 129 3PZ -0.00067 -0.00054 0.01870 0.00774 -0.00148 130 4XX 0.00002 0.00015 0.00226 0.00132 -0.00047 131 4YY 0.00001 -0.00036 0.00007 -0.00058 0.00119 132 4ZZ -0.00018 0.00050 -0.00295 -0.00011 -0.00147 133 4XY 0.00037 -0.00077 -0.00056 0.00161 -0.00052 134 4XZ 0.00021 -0.00024 0.00047 0.00073 -0.00037 135 4YZ 0.00010 -0.00046 -0.00442 -0.00057 -0.00021 136 10 H 1S -0.00015 0.00010 -0.02309 -0.00669 -0.00101 137 2S 0.00003 -0.00183 -0.05383 -0.01272 0.00142 138 11 H 1S -0.00058 0.00089 0.00716 0.00243 -0.00448 139 2S -0.00121 0.00267 -0.01562 0.00021 -0.00951 140 12 H 1S 0.00344 -0.01023 0.01421 0.00486 0.01429 141 2S 0.00352 -0.00953 0.00017 0.01002 0.01932 142 13 H 1S -0.00787 0.01873 -0.00339 -0.00090 -0.03353 143 2S -0.01048 0.02751 -0.03236 -0.01496 -0.06427 144 14 H 1S 0.00845 -0.01742 0.00470 -0.02179 0.03238 145 2S 0.00939 -0.01930 0.01502 -0.05611 0.05402 146 15 C 1S -0.00168 0.00203 0.00227 -0.00004 -0.00356 147 2S 0.00229 -0.00605 -0.01676 -0.00458 0.00920 148 2PX -0.00406 0.01244 0.01502 0.00136 -0.01896 149 2PY -0.00163 0.00532 0.00824 0.00040 -0.00776 150 2PZ 0.00055 -0.00525 0.00383 0.00154 0.00421 151 3S 0.01236 -0.01435 0.02991 0.03550 0.01813 152 3PX -0.00393 0.00731 0.00537 -0.01025 -0.00870 153 3PY -0.00221 0.00319 0.00295 -0.00345 -0.01270 154 3PZ 0.00140 -0.00212 0.01264 -0.00052 0.00457 155 4XX -0.00023 -0.00052 -0.00022 0.00048 0.00128 156 4YY -0.00014 0.00002 -0.00127 -0.00035 0.00033 157 4ZZ -0.00096 0.00103 0.00040 -0.00022 -0.00151 158 4XY 0.00036 -0.00093 -0.00084 0.00008 0.00171 159 4XZ 0.00042 -0.00048 -0.00226 -0.00038 -0.00009 160 4YZ 0.00000 0.00002 -0.00109 -0.00069 -0.00051 161 16 O 1S 0.00030 0.00014 0.00302 0.00043 0.00039 162 2S 0.00052 -0.00064 -0.00151 0.00114 -0.00122 163 2PX 0.00091 -0.00113 0.00983 -0.00020 0.00988 164 2PY -0.00015 -0.00038 0.00065 0.00028 -0.00207 165 2PZ 0.00050 -0.00448 -0.01428 -0.00103 -0.00289 166 3S -0.00532 0.00095 -0.04131 -0.01144 -0.00631 167 3PX 0.00278 -0.00229 0.01455 0.00412 0.00842 168 3PY -0.00015 -0.00072 0.00331 0.00165 -0.00052 169 3PZ 0.00013 -0.00231 -0.00988 -0.00072 -0.00201 170 4XX 0.00041 -0.00031 0.00106 0.00038 0.00003 171 4YY 0.00049 -0.00002 0.00147 0.00054 -0.00011 172 4ZZ 0.00058 0.00024 0.00303 0.00076 -0.00038 173 4XY -0.00002 0.00021 -0.00027 -0.00011 -0.00030 174 4XZ 0.00006 0.00002 -0.00086 -0.00024 0.00028 175 4YZ 0.00002 0.00002 0.00107 0.00017 0.00009 176 17 C 1S 0.00027 0.00024 0.00008 -0.00060 0.00108 177 2S -0.00063 0.00156 -0.00985 -0.00344 -0.00424 178 2PX 0.00052 -0.00175 0.01126 0.00176 0.00509 179 2PY -0.00002 -0.00005 -0.00200 0.00003 -0.00192 180 2PZ 0.00031 -0.00149 -0.00598 -0.00068 0.00108 181 3S 0.00030 -0.00118 0.04710 0.02879 -0.01080 182 3PX 0.00049 -0.00088 0.00284 -0.00593 0.00269 183 3PY 0.00034 0.00122 0.00599 -0.00083 0.00702 184 3PZ -0.00022 -0.00052 0.00753 -0.00140 -0.00452 185 4XX 0.00008 0.00001 -0.00175 -0.00018 -0.00001 186 4YY 0.00002 0.00002 -0.00046 -0.00019 -0.00042 187 4ZZ -0.00006 0.00034 0.00108 -0.00055 -0.00008 188 4XY -0.00002 0.00010 -0.00176 -0.00024 -0.00029 189 4XZ 0.00006 -0.00011 -0.00183 -0.00034 0.00005 190 4YZ -0.00008 0.00002 0.00040 -0.00006 -0.00041 191 18 O 1S -0.00005 -0.00009 0.00094 0.00053 -0.00055 192 2S 0.00007 -0.00014 0.00087 0.00029 -0.00023 193 2PX -0.00005 0.00039 0.00164 0.00259 -0.00328 194 2PY -0.00039 0.00022 -0.00640 -0.00260 0.00093 195 2PZ -0.00053 0.00133 -0.00683 -0.00276 -0.00096 196 3S 0.00026 0.00208 -0.01982 -0.00889 0.00981 197 3PX -0.00020 0.00002 0.00197 0.00407 -0.00432 198 3PY -0.00036 0.00058 -0.01219 -0.00372 0.00149 199 3PZ -0.00028 0.00028 -0.00035 0.00058 -0.00250 200 4XX -0.00004 -0.00006 0.00091 0.00037 -0.00051 201 4YY -0.00010 -0.00010 0.00004 0.00029 -0.00054 202 4ZZ -0.00001 -0.00015 0.00181 0.00074 -0.00045 203 4XY -0.00001 0.00003 0.00028 0.00015 -0.00008 204 4XZ -0.00003 0.00009 -0.00063 -0.00042 0.00016 205 4YZ 0.00001 0.00002 0.00041 0.00012 -0.00016 206 19 O 1S 0.00017 -0.00046 0.00115 0.00076 -0.00006 207 2S 0.00050 0.00064 0.00027 -0.00005 -0.00177 208 2PX 0.00096 -0.00187 0.00515 0.00498 0.00649 209 2PY 0.00006 -0.00277 -0.00182 0.00106 0.00185 210 2PZ 0.00146 -0.00587 -0.01671 -0.00724 0.00009 211 3S -0.00389 0.00267 -0.01703 -0.01041 0.00706 212 3PX 0.00222 -0.00372 0.00181 0.00547 0.00659 213 3PY 0.00151 -0.00250 0.00488 0.00446 -0.00073 214 3PZ 0.00025 -0.00346 -0.01624 -0.00528 -0.00065 215 4XX 0.00043 -0.00025 0.00122 0.00071 -0.00050 216 4YY 0.00028 0.00014 0.00068 0.00016 -0.00082 217 4ZZ 0.00041 -0.00018 0.00115 0.00068 -0.00075 218 4XY -0.00012 -0.00007 -0.00063 -0.00042 0.00019 219 4XZ 0.00010 -0.00013 -0.00035 -0.00013 0.00017 220 4YZ 0.00005 0.00038 0.00098 0.00024 -0.00015 221 20 H 1S -0.00749 0.01728 0.00571 0.00113 -0.03312 222 2S -0.01054 0.02565 0.03692 -0.00050 -0.06543 223 21 H 1S -0.00014 -0.00168 0.02033 0.00353 -0.00033 224 2S 0.00051 -0.00499 0.04593 0.01039 0.00315 225 22 H 1S -0.00763 0.01619 0.00618 -0.02774 0.00959 226 2S -0.00895 0.01910 0.01307 -0.05209 0.01041 227 23 H 1S 0.01286 -0.02722 -0.00562 0.03136 -0.03463 228 2S 0.01572 -0.02886 -0.00629 0.04203 -0.08541 229 24 H 1S 0.00760 -0.01959 -0.00047 -0.03180 -0.00791 230 2S 0.01043 -0.02184 -0.03215 -0.06494 -0.01089 231 25 H 1S 0.00778 -0.02015 0.01403 -0.02851 -0.00814 232 2S 0.01206 -0.02536 0.05649 -0.04628 -0.00846 233 26 H 1S 0.00921 -0.02019 0.00338 -0.01421 -0.02966 234 2S 0.01113 -0.02323 0.00556 -0.02009 -0.07001 21 22 23 24 25 21 3S 0.24749 22 3PX 0.00289 0.14013 23 3PY 0.00458 0.02375 0.03290 24 3PZ -0.02736 0.00085 -0.00751 0.03228 25 4XX -0.01043 0.00359 0.00008 0.00127 0.00094 26 4YY -0.00296 -0.00342 -0.00255 0.00260 0.00013 27 4ZZ -0.00370 -0.00047 0.00141 -0.00296 0.00024 28 4XY -0.00214 -0.00837 -0.00145 -0.00026 -0.00020 29 4XZ -0.00090 0.00250 0.00049 0.00055 0.00005 30 4YZ 0.00227 0.00022 0.00044 -0.00102 -0.00003 31 3 C 1S 0.00280 -0.00018 0.00200 -0.00503 0.00195 32 2S 0.02368 0.00357 -0.02976 0.01281 -0.00418 33 2PX -0.02159 0.20239 0.04656 -0.00765 0.00716 34 2PY 0.10685 0.04931 -0.00864 0.03909 -0.00390 35 2PZ -0.06368 -0.00531 0.04189 0.01165 0.00313 36 3S -0.01720 0.00532 -0.01553 0.01372 -0.00240 37 3PX -0.00336 0.15053 0.03069 -0.00228 0.00477 38 3PY 0.01713 0.03341 0.01012 0.01638 -0.00027 39 3PZ -0.01126 -0.00217 0.00846 0.00942 0.00079 40 4XX -0.00236 -0.00318 0.00054 -0.00014 0.00021 41 4YY 0.00842 0.00315 -0.00031 0.00143 -0.00020 42 4ZZ -0.00703 -0.00089 0.00282 -0.00232 0.00016 43 4XY -0.00270 0.00826 0.00228 -0.00025 0.00033 44 4XZ 0.00116 -0.00326 -0.00080 -0.00004 -0.00018 45 4YZ -0.00602 -0.00086 0.00041 0.00089 0.00030 46 4 C 1S -0.00340 -0.00092 0.00125 0.00535 -0.00015 47 2S -0.02103 -0.00152 0.01054 0.00098 0.00033 48 2PX 0.01907 -0.03031 -0.00825 0.00124 0.00026 49 2PY -0.07460 -0.01085 0.01429 -0.02166 0.00012 50 2PZ 0.04415 0.00688 -0.05491 -0.00851 -0.00028 51 3S -0.00697 0.00497 0.00410 0.00301 0.00025 52 3PX 0.00733 -0.01705 -0.00416 0.00159 -0.00001 53 3PY -0.02896 -0.00252 0.00020 -0.00828 0.00013 54 3PZ 0.01456 -0.00294 -0.01539 -0.00210 -0.00005 55 4XX -0.00117 -0.00197 0.00227 -0.00068 0.00001 56 4YY 0.00601 0.00224 -0.00368 0.00063 -0.00012 57 4ZZ -0.00239 -0.00002 0.00054 0.00029 0.00007 58 4XY -0.00201 0.00353 0.00270 -0.00047 0.00022 59 4XZ 0.00006 0.00753 0.00162 0.00059 0.00020 60 4YZ -0.00131 0.00163 -0.00018 -0.00147 -0.00003 61 5 C 1S 0.00611 0.01188 -0.00101 -0.00523 -0.00023 62 2S -0.01743 -0.02847 0.00671 0.00698 0.00022 63 2PX 0.03878 0.03170 -0.01407 -0.00974 -0.00010 64 2PY -0.02194 0.00142 -0.00169 0.01563 0.00101 65 2PZ -0.02081 -0.04000 0.02448 -0.01250 0.00011 66 3S -0.03942 -0.05896 0.01131 0.01247 -0.00013 67 3PX 0.02139 0.01928 -0.01272 -0.00274 -0.00002 68 3PY -0.01912 0.01122 0.00367 0.00899 0.00092 69 3PZ -0.00532 -0.02304 0.00866 -0.00739 0.00003 70 4XX -0.00178 -0.00101 0.00166 -0.00057 -0.00004 71 4YY 0.00114 -0.00029 -0.00180 0.00139 0.00001 72 4ZZ 0.00201 0.00161 -0.00032 -0.00112 -0.00002 73 4XY -0.00004 -0.00129 0.00141 0.00006 -0.00000 74 4XZ 0.00083 -0.00115 -0.00034 0.00016 -0.00004 75 4YZ 0.00019 0.00278 -0.00036 -0.00051 0.00003 76 6 C 1S 0.00612 0.00817 -0.00152 -0.00504 -0.00044 77 2S -0.00857 -0.01731 -0.00890 0.00975 0.00066 78 2PX 0.00701 0.00428 0.01907 -0.00764 0.00043 79 2PY -0.00309 -0.00626 -0.00034 -0.00759 0.00015 80 2PZ -0.02553 -0.00289 -0.02919 0.02784 0.00135 81 3S 0.01294 -0.03729 -0.02549 0.01070 0.00057 82 3PX 0.00833 0.00797 0.01034 -0.00994 -0.00041 83 3PY -0.01413 -0.01289 0.00127 0.00087 0.00012 84 3PZ -0.00421 0.00973 -0.01536 0.00972 0.00083 85 4XX -0.00100 -0.00110 -0.00169 0.00110 -0.00000 86 4YY -0.00236 -0.00160 -0.00029 0.00182 0.00001 87 4ZZ 0.00360 0.00160 0.00285 -0.00358 -0.00011 88 4XY 0.00008 -0.00132 0.00034 -0.00044 0.00003 89 4XZ -0.00227 -0.00152 -0.00052 0.00205 0.00013 90 4YZ 0.00205 0.00196 -0.00018 -0.00105 -0.00003 91 7 C 1S 0.01344 0.00093 -0.00306 -0.00694 0.00160 92 2S 0.01103 0.00101 -0.00579 -0.01598 -0.00316 93 2PX 0.01412 0.01504 -0.00722 -0.00346 0.00014 94 2PY -0.04663 -0.00368 0.03505 0.01062 -0.00033 95 2PZ 0.13346 -0.00326 0.02927 -0.08832 -0.00645 96 3S -0.02527 0.00080 0.00229 -0.02096 -0.00245 97 3PX 0.00495 0.00519 -0.00064 -0.00177 -0.00040 98 3PY -0.01611 -0.00486 0.01145 0.00527 0.00023 99 3PZ 0.02885 -0.00250 0.01605 -0.03557 -0.00172 100 4XX -0.00334 0.00006 -0.00146 0.00227 0.00036 101 4YY -0.00794 0.00015 -0.00017 0.00401 0.00024 102 4ZZ 0.01295 -0.00021 0.00208 -0.00477 -0.00058 103 4XY 0.00092 0.00076 -0.00003 -0.00029 0.00003 104 4XZ -0.00024 0.00790 0.00137 -0.00002 0.00019 105 4YZ 0.00243 0.00149 0.00147 -0.00091 0.00010 106 8 C 1S 0.00981 -0.00696 -0.00435 -0.00829 -0.00084 107 2S -0.00906 0.01798 -0.00055 0.01152 0.00124 108 2PX -0.00179 0.00691 -0.01510 0.00490 -0.00050 109 2PY -0.01057 0.00980 -0.00118 -0.00234 0.00110 110 2PZ -0.03756 0.00844 -0.01812 0.03718 0.00168 111 3S 0.00371 0.03776 -0.00356 0.01594 0.00207 112 3PX 0.00303 0.00187 -0.00727 0.00321 0.00001 113 3PY -0.01526 0.01436 0.00545 0.00203 0.00110 114 3PZ -0.01506 -0.00974 -0.01270 0.01667 0.00045 115 4XX -0.00178 0.00200 -0.00030 0.00146 0.00018 116 4YY -0.00207 0.00056 -0.00033 0.00174 0.00005 117 4ZZ 0.00452 -0.00203 0.00159 -0.00415 -0.00026 118 4XY 0.00084 -0.00088 -0.00137 -0.00039 -0.00007 119 4XZ 0.00097 -0.00019 -0.00005 -0.00125 -0.00012 120 4YZ 0.00225 -0.00212 -0.00066 -0.00153 -0.00014 121 9 C 1S 0.00465 -0.00987 -0.00425 -0.00348 -0.00042 122 2S -0.01743 0.02244 0.01481 0.00745 0.00098 123 2PX -0.03885 0.02218 0.02629 0.01291 0.00040 124 2PY -0.03363 0.00896 0.00621 0.02165 0.00026 125 2PZ -0.01126 0.03115 0.03232 -0.01468 0.00059 126 3S -0.03722 0.04572 0.03060 0.01226 0.00214 127 3PX -0.01787 0.01228 0.01531 0.00537 0.00032 128 3PY -0.02167 -0.00857 0.00297 0.01149 -0.00014 129 3PZ -0.00057 0.01430 0.01332 -0.00712 0.00029 130 4XX -0.00087 0.00120 0.00249 -0.00056 0.00007 131 4YY 0.00033 0.00032 -0.00171 0.00116 0.00004 132 4ZZ 0.00212 -0.00183 -0.00124 -0.00130 -0.00011 133 4XY -0.00098 -0.00004 0.00057 -0.00121 -0.00001 134 4XZ -0.00153 0.00032 0.00071 0.00058 -0.00002 135 4YZ -0.00100 -0.00284 -0.00125 -0.00006 -0.00006 136 10 H 1S 0.00751 -0.01512 -0.01515 0.00173 -0.00014 137 2S 0.00986 -0.03479 -0.02513 0.00041 -0.00080 138 11 H 1S 0.01452 0.00556 0.00479 -0.01456 0.00029 139 2S 0.01473 -0.01033 0.00265 -0.01567 -0.00024 140 12 H 1S -0.01356 0.00802 0.00434 0.01045 0.00145 141 2S -0.01264 -0.00118 0.00215 0.01002 0.00113 142 13 H 1S 0.02824 -0.00550 0.01386 -0.02721 -0.00125 143 2S 0.03203 -0.02694 0.01266 -0.03542 -0.00230 144 14 H 1S -0.06023 -0.00198 0.00835 0.02521 0.00012 145 2S -0.05847 0.00087 0.00406 0.02932 0.00063 146 15 C 1S 0.00912 0.00368 -0.00189 -0.00274 -0.00075 147 2S -0.00870 -0.01197 -0.00123 0.00434 0.00068 148 2PX 0.01127 0.00682 0.00472 -0.00811 -0.00115 149 2PY -0.00540 0.00423 0.00210 0.00441 -0.00011 150 2PZ 0.00892 0.00869 -0.00271 -0.01048 0.00032 151 3S -0.00907 0.02330 0.00726 0.00288 0.00161 152 3PX 0.00411 0.00102 0.00071 -0.00217 -0.00037 153 3PY 0.00551 0.00124 -0.00182 -0.00469 -0.00046 154 3PZ 0.00247 0.01122 0.00176 -0.00376 0.00050 155 4XX -0.00016 -0.00053 -0.00063 0.00011 -0.00002 156 4YY -0.00070 -0.00083 0.00023 0.00064 -0.00001 157 4ZZ 0.00192 0.00067 0.00014 -0.00135 -0.00008 158 4XY -0.00025 -0.00019 -0.00086 0.00065 0.00010 159 4XZ 0.00031 -0.00127 0.00015 -0.00094 -0.00004 160 4YZ -0.00007 -0.00064 0.00062 -0.00064 0.00007 161 16 O 1S -0.00127 0.00105 0.00050 0.00011 0.00027 162 2S 0.00457 0.00152 0.00041 -0.00176 -0.00072 163 2PX -0.01815 0.00426 0.00140 0.01459 0.00084 164 2PY 0.00226 0.00311 0.00003 -0.00767 0.00004 165 2PZ 0.01210 0.00325 -0.00869 -0.00671 -0.00019 166 3S 0.00381 -0.02519 -0.00894 0.00025 -0.00175 167 3PX -0.01212 0.00835 0.00352 0.00876 0.00085 168 3PY 0.00067 0.00411 0.00072 -0.00351 0.00013 169 3PZ 0.00912 0.00228 -0.00565 -0.00553 -0.00019 170 4XX 0.00088 0.00100 0.00019 -0.00090 0.00004 171 4YY -0.00017 0.00097 0.00029 0.00004 0.00003 172 4ZZ -0.00046 0.00160 0.00070 0.00019 0.00005 173 4XY 0.00030 -0.00040 0.00017 0.00001 -0.00003 174 4XZ -0.00059 -0.00102 0.00014 0.00041 0.00000 175 4YZ -0.00004 0.00064 0.00024 -0.00000 0.00003 176 17 C 1S -0.00705 -0.00094 0.00159 0.00323 0.00009 177 2S 0.00648 -0.00695 0.00082 -0.00567 -0.00028 178 2PX -0.00446 0.01176 -0.00878 0.00856 -0.00001 179 2PY 0.00132 -0.00304 0.00416 0.00212 -0.00014 180 2PZ -0.00348 -0.00525 -0.00423 0.00366 0.00007 181 3S 0.00196 0.03320 0.01628 -0.00811 0.00094 182 3PX -0.00313 0.00209 -0.00289 0.00287 0.00020 183 3PY 0.00070 0.00264 0.00107 0.00305 0.00018 184 3PZ 0.00063 0.00395 -0.00017 0.00031 0.00023 185 4XX -0.00173 -0.00165 0.00118 0.00022 0.00005 186 4YY 0.00137 0.00040 -0.00074 -0.00052 -0.00009 187 4ZZ 0.00032 0.00027 -0.00047 0.00060 0.00001 188 4XY 0.00056 -0.00137 -0.00010 0.00001 -0.00007 189 4XZ 0.00001 -0.00113 -0.00026 0.00012 0.00000 190 4YZ 0.00049 0.00066 0.00015 -0.00072 -0.00000 191 18 O 1S -0.00069 0.00130 0.00100 -0.00113 0.00001 192 2S 0.00106 -0.00108 -0.00194 0.00164 0.00008 193 2PX -0.00745 0.00032 0.01149 -0.00175 0.00031 194 2PY -0.00515 -0.00821 -0.00079 0.00425 0.00014 195 2PZ 0.00231 -0.01248 0.00383 0.00346 -0.00004 196 3S 0.00205 -0.01668 -0.00433 0.00535 -0.00041 197 3PX -0.00459 0.00105 0.00860 -0.00266 0.00025 198 3PY -0.00344 -0.01125 -0.00056 0.00276 -0.00009 199 3PZ 0.00130 -0.00504 0.00258 0.00171 0.00007 200 4XX 0.00027 0.00058 0.00003 -0.00022 0.00002 201 4YY -0.00030 -0.00014 0.00018 0.00004 0.00001 202 4ZZ -0.00014 0.00172 0.00014 -0.00046 0.00003 203 4XY -0.00006 0.00033 0.00022 -0.00004 0.00001 204 4XZ 0.00030 -0.00030 -0.00042 -0.00015 -0.00002 205 4YZ 0.00021 0.00016 0.00020 -0.00002 0.00001 206 19 O 1S 0.00160 0.00060 -0.00278 0.00045 0.00003 207 2S -0.00367 0.00101 0.00725 -0.00076 -0.00012 208 2PX 0.01196 0.00497 -0.00432 -0.00569 -0.00004 209 2PY 0.00930 0.00198 0.00200 -0.01034 -0.00029 210 2PZ 0.00373 -0.00662 0.00444 -0.01425 0.00079 211 3S -0.00255 -0.01008 0.00606 0.00097 -0.00041 212 3PX 0.00672 0.00284 -0.00347 -0.00330 0.00010 213 3PY 0.00420 0.00499 0.00276 -0.00649 -0.00007 214 3PZ 0.00214 -0.00833 0.00293 -0.00925 0.00042 215 4XX -0.00000 0.00082 0.00005 -0.00023 0.00001 216 4YY -0.00038 0.00025 -0.00015 0.00034 0.00003 217 4ZZ 0.00047 0.00091 0.00010 -0.00063 0.00001 218 4XY -0.00074 -0.00040 0.00008 0.00042 0.00003 219 4XZ -0.00010 -0.00022 -0.00012 0.00005 -0.00000 220 4YZ -0.00035 0.00029 -0.00010 0.00083 -0.00004 221 20 H 1S 0.02066 0.00168 0.02117 -0.02245 -0.00075 222 2S 0.02544 0.02169 0.02654 -0.03045 -0.00068 223 21 H 1S 0.01547 0.01806 -0.01218 -0.00003 -0.00013 224 2S 0.01588 0.03628 -0.01303 -0.00249 0.00042 225 22 H 1S 0.05259 0.00505 -0.02530 0.01400 -0.00024 226 2S 0.04867 0.00744 -0.03053 0.01571 -0.00039 227 23 H 1S -0.04536 -0.00350 0.02014 -0.00053 0.00073 228 2S -0.04295 -0.00419 0.02852 -0.01330 0.00101 229 24 H 1S -0.02356 -0.01673 -0.01109 0.00599 -0.00206 230 2S -0.02093 -0.03829 -0.01727 0.00535 -0.00184 231 25 H 1S -0.02650 0.01945 -0.00258 0.00319 0.00339 232 2S -0.02575 0.04340 -0.00068 0.00567 0.00420 233 26 H 1S -0.04055 0.00033 0.00213 -0.01465 -0.00032 234 2S -0.03603 0.00023 0.00475 -0.02072 0.00005 26 27 28 29 30 26 4YY 0.00135 27 4ZZ -0.00079 0.00161 28 4XY 0.00010 0.00029 0.00092 29 4XZ -0.00003 -0.00003 -0.00007 0.00049 30 4YZ 0.00005 0.00003 -0.00004 -0.00014 0.00115 31 3 C 1S -0.00430 0.00239 0.00161 -0.00084 0.00402 32 2S 0.00799 -0.00619 -0.00302 0.00154 -0.00743 33 2PX -0.00576 0.00105 -0.01408 0.00462 0.00294 34 2PY -0.00274 -0.00691 -0.00418 0.00308 -0.00870 35 2PZ -0.00913 0.01172 0.00316 0.00152 -0.00663 36 3S 0.00728 -0.00593 -0.00286 0.00222 -0.01041 37 3PX -0.00428 0.00008 -0.01059 0.00376 0.00155 38 3PY -0.00183 -0.00211 -0.00250 0.00172 -0.00341 39 3PZ -0.00215 0.00316 0.00090 0.00021 -0.00066 40 4XX -0.00018 0.00020 0.00028 -0.00011 0.00034 41 4YY 0.00004 -0.00047 -0.00026 -0.00002 0.00036 42 4ZZ -0.00039 0.00084 0.00019 0.00003 -0.00029 43 4XY -0.00029 0.00015 -0.00037 0.00014 -0.00000 44 4XZ 0.00001 0.00007 0.00031 -0.00002 -0.00014 45 4YZ 0.00052 -0.00029 0.00001 -0.00013 0.00062 46 4 C 1S -0.00157 0.00086 0.00036 0.00023 -0.00102 47 2S 0.00309 -0.00210 -0.00065 -0.00052 0.00186 48 2PX -0.00234 0.00122 -0.00065 0.00128 -0.00071 49 2PY 0.00825 -0.00420 -0.00238 -0.00080 0.00480 50 2PZ 0.00601 -0.00339 -0.00167 -0.00092 0.00471 51 3S 0.00306 -0.00237 -0.00109 -0.00083 0.00470 52 3PX -0.00073 0.00041 -0.00009 0.00095 -0.00047 53 3PY 0.00347 -0.00138 -0.00103 -0.00024 0.00364 54 3PZ 0.00217 -0.00104 -0.00026 -0.00061 0.00261 55 4XX -0.00020 0.00017 0.00022 -0.00001 -0.00012 56 4YY 0.00013 -0.00035 -0.00024 0.00005 -0.00009 57 4ZZ -0.00002 0.00018 0.00002 0.00000 -0.00007 58 4XY -0.00026 0.00014 -0.00033 0.00009 0.00003 59 4XZ -0.00028 0.00003 -0.00037 0.00016 0.00002 60 4YZ 0.00047 -0.00029 -0.00024 0.00001 0.00010 61 5 C 1S -0.00025 -0.00003 -0.00036 0.00015 0.00019 62 2S 0.00009 0.00058 0.00113 -0.00014 -0.00073 63 2PX 0.00033 -0.00028 -0.00014 -0.00004 0.00095 64 2PY 0.00066 -0.00087 -0.00095 0.00031 -0.00074 65 2PZ -0.00122 0.00155 0.00123 -0.00053 0.00014 66 3S 0.00168 -0.00026 0.00299 -0.00074 -0.00260 67 3PX 0.00076 -0.00080 -0.00050 -0.00008 0.00114 68 3PY 0.00111 -0.00142 -0.00160 0.00041 -0.00039 69 3PZ -0.00048 0.00041 0.00084 -0.00037 0.00023 70 4XX 0.00000 0.00008 0.00014 -0.00009 0.00004 71 4YY -0.00005 0.00001 0.00008 -0.00007 -0.00006 72 4ZZ 0.00008 -0.00010 -0.00016 0.00013 0.00009 73 4XY -0.00016 0.00006 0.00009 0.00019 -0.00022 74 4XZ -0.00010 0.00013 0.00018 -0.00008 -0.00009 75 4YZ 0.00011 -0.00007 -0.00013 -0.00009 0.00015 76 6 C 1S -0.00041 -0.00066 -0.00062 0.00143 -0.00050 77 2S 0.00061 0.00034 0.00114 -0.00342 0.00108 78 2PX -0.00076 -0.00262 -0.00083 0.00732 -0.00269 79 2PY 0.00030 0.00054 0.00131 -0.00306 0.00116 80 2PZ 0.00003 0.00109 0.00064 -0.00469 0.00114 81 3S 0.00045 -0.00021 0.00217 -0.00444 0.00100 82 3PX -0.00151 0.00024 -0.00035 0.00390 -0.00212 83 3PY 0.00100 -0.00037 0.00079 -0.00176 -0.00009 84 3PZ -0.00091 0.00097 -0.00047 -0.00256 0.00006 85 4XX 0.00010 0.00020 0.00010 -0.00001 0.00026 86 4YY 0.00018 -0.00014 0.00009 0.00004 -0.00021 87 4ZZ -0.00029 0.00008 -0.00011 0.00019 -0.00007 88 4XY 0.00001 -0.00013 0.00004 0.00020 0.00021 89 4XZ 0.00032 -0.00038 0.00006 0.00014 -0.00006 90 4YZ -0.00013 0.00008 -0.00003 -0.00009 0.00001 91 7 C 1S 0.00316 -0.00657 -0.00038 -0.00008 0.00055 92 2S -0.00615 0.01270 0.00074 0.00001 -0.00025 93 2PX -0.00004 -0.00022 0.00029 -0.01107 -0.00027 94 2PY 0.00111 -0.00046 -0.00009 -0.00028 -0.01171 95 2PZ -0.01196 0.00938 0.00149 -0.00079 -0.00041 96 3S -0.00787 0.01568 0.00176 0.00089 -0.00238 97 3PX 0.00017 -0.00028 0.00089 -0.00413 -0.00037 98 3PY 0.00028 0.00024 0.00037 -0.00047 -0.00383 99 3PZ -0.00565 0.00531 0.00111 -0.00009 -0.00073 100 4XX 0.00023 -0.00035 0.00004 -0.00026 0.00033 101 4YY 0.00044 -0.00025 -0.00005 0.00029 -0.00037 102 4ZZ -0.00037 -0.00003 -0.00007 -0.00001 -0.00009 103 4XY -0.00007 -0.00002 0.00001 0.00038 0.00027 104 4XZ -0.00021 0.00000 -0.00049 0.00031 -0.00007 105 4YZ -0.00012 0.00003 -0.00008 -0.00006 0.00060 106 8 C 1S 0.00011 -0.00042 0.00026 -0.00113 -0.00098 107 2S -0.00044 0.00027 -0.00055 0.00259 0.00217 108 2PX 0.00033 0.00282 -0.00086 0.00449 0.00417 109 2PY -0.00061 0.00173 -0.00135 0.00416 0.00442 110 2PZ -0.00064 0.00090 0.00035 0.00427 0.00322 111 3S -0.00113 -0.00065 -0.00111 0.00341 0.00330 112 3PX 0.00060 0.00047 -0.00051 0.00217 0.00240 113 3PY 0.00032 -0.00033 -0.00121 0.00240 0.00203 114 3PZ -0.00016 0.00030 0.00119 0.00189 0.00117 115 4XX -0.00003 0.00000 -0.00010 -0.00013 0.00027 116 4YY 0.00007 0.00002 -0.00010 0.00020 -0.00019 117 4ZZ -0.00013 0.00011 0.00013 -0.00025 -0.00021 118 4XY -0.00001 0.00027 -0.00000 0.00016 0.00015 119 4XZ -0.00018 0.00030 0.00005 0.00009 0.00011 120 4YZ -0.00017 0.00025 0.00010 0.00007 0.00009 121 9 C 1S 0.00006 0.00003 0.00019 -0.00026 0.00014 122 2S -0.00053 0.00023 -0.00060 0.00055 -0.00060 123 2PX -0.00074 0.00025 -0.00010 0.00015 -0.00040 124 2PY 0.00094 -0.00105 0.00100 0.00030 -0.00120 125 2PZ -0.00170 0.00121 -0.00023 0.00054 0.00013 126 3S -0.00088 -0.00006 -0.00232 0.00170 -0.00207 127 3PX -0.00112 0.00072 0.00006 0.00019 -0.00053 128 3PY 0.00137 -0.00099 0.00126 -0.00036 -0.00134 129 3PZ -0.00092 0.00061 -0.00001 0.00022 0.00026 130 4XX -0.00022 0.00010 -0.00007 -0.00001 -0.00013 131 4YY 0.00001 -0.00001 -0.00005 0.00016 0.00018 132 4ZZ 0.00021 -0.00010 0.00006 -0.00017 0.00004 133 4XY 0.00011 0.00003 -0.00006 0.00007 0.00021 134 4XZ 0.00011 -0.00011 0.00006 -0.00011 -0.00004 135 4YZ 0.00026 -0.00011 0.00007 -0.00005 0.00019 136 10 H 1S 0.00106 -0.00042 -0.00022 -0.00021 0.00099 137 2S 0.00251 -0.00107 0.00103 -0.00075 0.00195 138 11 H 1S -0.00087 0.00091 -0.00055 0.00050 0.00025 139 2S -0.00088 0.00132 0.00032 0.00025 0.00020 140 12 H 1S -0.00032 -0.00136 -0.00002 -0.00062 0.00017 141 2S 0.00044 -0.00168 0.00007 -0.00187 0.00019 142 13 H 1S -0.00038 0.00018 0.00020 -0.00201 -0.00157 143 2S -0.00080 0.00114 0.00172 -0.00247 -0.00235 144 14 H 1S 0.00164 0.00160 -0.00028 0.00163 -0.00757 145 2S 0.00324 -0.00210 -0.00071 0.00181 -0.00735 146 15 C 1S -0.00039 0.00001 -0.00023 -0.00016 -0.00012 147 2S 0.00049 -0.00063 0.00072 0.00033 0.00032 148 2PX 0.00012 0.00166 -0.00082 -0.00047 -0.00068 149 2PY -0.00013 0.00033 -0.00019 -0.00066 -0.00023 150 2PZ -0.00076 -0.00038 0.00016 -0.00113 -0.00008 151 3S 0.00017 -0.00111 -0.00111 0.00176 0.00177 152 3PX -0.00013 0.00082 -0.00027 -0.00036 -0.00080 153 3PY -0.00014 0.00029 0.00029 -0.00069 -0.00024 154 3PZ -0.00056 -0.00052 -0.00032 0.00007 -0.00033 155 4XX 0.00004 0.00007 0.00007 -0.00033 0.00004 156 4YY 0.00005 -0.00004 0.00001 0.00012 -0.00002 157 4ZZ -0.00003 0.00000 -0.00004 0.00009 -0.00002 158 4XY 0.00006 -0.00001 0.00002 -0.00009 0.00001 159 4XZ 0.00002 -0.00002 0.00010 0.00001 -0.00001 160 4YZ -0.00006 -0.00009 0.00005 0.00017 -0.00005 161 16 O 1S -0.00002 0.00001 -0.00012 0.00007 0.00003 162 2S -0.00024 -0.00005 0.00005 -0.00019 -0.00005 163 2PX -0.00021 -0.00059 -0.00045 0.00066 0.00001 164 2PY -0.00015 0.00015 0.00029 -0.00023 -0.00025 165 2PZ -0.00027 -0.00063 0.00062 0.00034 -0.00037 166 3S 0.00067 -0.00016 0.00165 -0.00089 -0.00019 167 3PX -0.00038 -0.00039 -0.00059 0.00063 0.00009 168 3PY -0.00023 0.00007 0.00005 -0.00018 -0.00005 169 3PZ -0.00010 -0.00035 0.00041 0.00031 -0.00025 170 4XX -0.00005 -0.00000 -0.00004 0.00000 0.00001 171 4YY -0.00004 0.00001 -0.00006 -0.00003 0.00001 172 4ZZ -0.00004 0.00002 -0.00013 0.00007 0.00002 173 4XY 0.00001 0.00004 0.00002 -0.00001 -0.00001 174 4XZ 0.00005 0.00001 0.00003 0.00002 0.00001 175 4YZ -0.00002 -0.00001 -0.00004 0.00002 0.00002 176 17 C 1S 0.00019 -0.00012 -0.00007 0.00015 -0.00006 177 2S -0.00012 0.00044 0.00082 -0.00060 -0.00001 178 2PX 0.00027 -0.00104 -0.00113 0.00037 0.00009 179 2PY -0.00016 0.00008 -0.00008 0.00001 -0.00019 180 2PZ 0.00004 -0.00052 -0.00018 0.00043 -0.00041 181 3S -0.00211 0.00146 -0.00145 0.00012 0.00052 182 3PX 0.00028 -0.00061 -0.00041 0.00002 0.00013 183 3PY -0.00012 -0.00015 -0.00014 0.00028 -0.00021 184 3PZ -0.00019 -0.00011 -0.00051 0.00031 -0.00005 185 4XX -0.00008 0.00006 0.00002 0.00001 -0.00003 186 4YY 0.00000 -0.00000 -0.00001 0.00000 -0.00002 187 4ZZ 0.00007 -0.00004 0.00001 -0.00001 0.00001 188 4XY 0.00002 0.00001 0.00010 -0.00003 0.00005 189 4XZ 0.00000 0.00001 0.00012 -0.00003 -0.00002 190 4YZ -0.00003 0.00000 0.00001 -0.00003 0.00003 191 18 O 1S -0.00016 0.00003 -0.00005 0.00001 0.00003 192 2S 0.00032 -0.00005 -0.00003 -0.00004 -0.00002 193 2PX -0.00087 0.00044 -0.00024 -0.00011 0.00013 194 2PY -0.00016 -0.00039 0.00042 -0.00036 0.00004 195 2PZ 0.00034 0.00018 0.00089 -0.00050 0.00028 196 3S 0.00108 -0.00021 0.00100 -0.00010 -0.00048 197 3PX -0.00076 0.00044 -0.00018 -0.00009 0.00016 198 3PY 0.00009 -0.00020 0.00069 -0.00039 -0.00001 199 3PZ 0.00010 0.00016 0.00043 -0.00037 0.00031 200 4XX -0.00002 0.00001 -0.00003 0.00000 0.00003 201 4YY -0.00003 -0.00001 -0.00001 -0.00003 0.00003 202 4ZZ -0.00004 0.00000 -0.00010 0.00001 0.00004 203 4XY -0.00003 0.00002 -0.00002 0.00001 0.00001 204 4XZ 0.00003 -0.00001 0.00004 -0.00001 -0.00001 205 4YZ -0.00000 0.00002 -0.00000 0.00000 0.00001 206 19 O 1S 0.00007 -0.00004 0.00004 -0.00014 -0.00011 207 2S -0.00036 0.00003 -0.00018 0.00022 0.00037 208 2PX 0.00072 0.00121 -0.00037 -0.00182 -0.00015 209 2PY -0.00055 -0.00017 0.00002 0.00030 0.00025 210 2PZ -0.00080 -0.00093 0.00099 0.00068 -0.00041 211 3S -0.00022 -0.00011 0.00015 0.00040 -0.00003 212 3PX 0.00050 0.00071 -0.00017 -0.00131 0.00008 213 3PY -0.00034 -0.00012 -0.00010 0.00024 0.00029 214 3PZ -0.00039 -0.00059 0.00084 0.00055 -0.00021 215 4XX -0.00003 0.00001 -0.00003 -0.00001 0.00000 216 4YY -0.00001 0.00004 -0.00003 -0.00004 0.00002 217 4ZZ -0.00004 0.00001 -0.00003 0.00001 0.00003 218 4XY -0.00004 -0.00009 0.00003 0.00010 0.00002 219 4XZ 0.00001 0.00001 -0.00000 -0.00002 -0.00000 220 4YZ 0.00005 0.00005 -0.00006 0.00001 0.00001 221 20 H 1S -0.00101 0.00007 -0.00037 0.00193 -0.00057 222 2S -0.00275 0.00119 -0.00157 0.00216 -0.00110 223 21 H 1S 0.00090 -0.00061 -0.00045 -0.00024 0.00084 224 2S 0.00124 -0.00137 -0.00209 -0.00030 0.00194 225 22 H 1S -0.00187 0.00020 0.00041 0.00023 -0.00103 226 2S -0.00171 0.00007 0.00025 0.00052 -0.00141 227 23 H 1S -0.00337 0.00688 0.00118 0.00132 -0.00637 228 2S -0.00594 0.00871 0.00188 0.00090 -0.00471 229 24 H 1S 0.00781 -0.00270 0.00556 0.00196 0.00012 230 2S 0.00586 -0.00233 0.00653 0.00161 -0.00222 231 25 H 1S 0.00237 -0.00281 -0.00787 -0.00173 -0.00088 232 2S 0.00025 -0.00261 -0.00799 -0.00026 -0.00291 233 26 H 1S -0.00410 0.00853 0.00095 -0.00107 0.00442 234 2S -0.00579 0.00900 0.00150 -0.00048 0.00138 31 32 33 34 35 31 3 C 1S 2.05448 32 2S -0.06131 0.32006 33 2PX 0.00125 -0.00374 0.35313 34 2PY -0.00478 0.00108 -0.01497 0.41208 35 2PZ -0.00162 -0.00401 0.00290 -0.01008 0.40580 36 3S -0.18363 0.27846 -0.00263 0.03490 0.02511 37 3PX -0.00113 0.00140 0.25044 0.01936 -0.00040 38 3PY 0.00092 -0.01587 0.02078 0.16117 0.00590 39 3PZ 0.00383 0.01189 0.00146 -0.01752 0.12961 40 4XX -0.01092 -0.01522 -0.00346 -0.00151 -0.00038 41 4YY -0.01590 -0.00485 0.00260 0.00690 -0.00931 42 4ZZ -0.02012 0.00305 0.00127 -0.01031 0.01630 43 4XY 0.00132 -0.00290 0.01101 0.00106 0.00277 44 4XZ -0.00003 0.00011 -0.00758 0.00182 0.00192 45 4YZ 0.00126 -0.00241 0.00189 -0.01465 -0.00841 46 4 C 1S 0.01215 -0.02318 -0.01021 0.04633 0.04167 47 2S -0.02022 0.03720 0.01975 -0.09663 -0.08130 48 2PX 0.01115 -0.02283 0.03529 0.04678 0.03268 49 2PY -0.05002 0.10158 0.04732 -0.16901 -0.14615 50 2PZ -0.04794 0.10424 0.04073 -0.17413 -0.13625 51 3S -0.00496 0.01756 0.03009 -0.10249 -0.11395 52 3PX 0.00289 -0.00666 0.01081 0.01801 0.01242 53 3PY -0.01603 0.03726 0.02409 -0.07903 -0.06803 54 3PZ -0.00868 0.02429 0.01239 -0.08226 -0.04554 55 4XX 0.00269 -0.00580 -0.00409 0.00520 0.00612 56 4YY -0.00236 0.00448 0.00184 0.00561 -0.00851 57 4ZZ -0.00178 0.00299 0.00119 -0.00553 0.00742 58 4XY 0.00133 -0.00269 0.00792 0.00159 0.00378 59 4XZ 0.00125 -0.00244 0.00855 0.00362 0.00136 60 4YZ -0.00580 0.01098 0.00392 -0.00841 -0.00675 61 5 C 1S -0.00311 0.00507 0.00927 -0.00409 -0.00722 62 2S 0.00662 -0.01668 -0.02488 0.01109 0.02328 63 2PX -0.00672 0.01575 0.00280 -0.01501 -0.02408 64 2PY 0.00166 -0.00217 -0.00253 0.00294 -0.00020 65 2PZ 0.00987 -0.02726 -0.01150 0.01832 0.02395 66 3S 0.00648 -0.01099 -0.07203 0.00992 0.02936 67 3PX -0.00831 0.01502 0.00696 -0.01076 -0.03694 68 3PY -0.00091 0.00690 0.02136 -0.00659 -0.02454 69 3PZ 0.00730 -0.01325 -0.01203 0.01345 0.01117 70 4XX 0.00015 -0.00099 -0.00270 -0.00083 0.00115 71 4YY 0.00022 -0.00069 -0.00271 0.00173 0.00205 72 4ZZ -0.00148 0.00251 0.00459 -0.00363 -0.00410 73 4XY 0.00074 -0.00208 -0.00122 0.00365 0.00348 74 4XZ 0.00078 -0.00203 -0.00450 0.00350 0.00443 75 4YZ -0.00097 0.00222 0.00292 -0.00271 -0.00323 76 6 C 1S -0.00184 0.00301 0.01366 0.00209 -0.00484 77 2S 0.00359 -0.00475 -0.03478 -0.01103 0.00952 78 2PX -0.00263 0.00337 0.03571 0.01707 -0.00796 79 2PY -0.00338 0.00584 -0.01413 -0.01758 -0.01098 80 2PZ 0.00450 -0.00645 -0.03278 -0.00929 0.01313 81 3S 0.00596 -0.01122 -0.07163 0.00368 0.02353 82 3PX -0.00183 0.00163 0.02175 0.02324 -0.00756 83 3PY -0.00396 0.00789 -0.02229 -0.00279 -0.01161 84 3PZ 0.00137 -0.00501 -0.00482 0.01219 0.00949 85 4XX 0.00011 0.00004 -0.00175 -0.00198 0.00024 86 4YY -0.00013 0.00050 -0.00276 -0.00028 0.00002 87 4ZZ -0.00001 -0.00065 0.00426 0.00056 0.00005 88 4XY 0.00010 -0.00034 0.00058 -0.00018 0.00035 89 4XZ -0.00037 0.00082 -0.00235 0.00123 -0.00056 90 4YZ -0.00021 0.00055 0.00154 -0.00125 -0.00065 91 7 C 1S -0.00380 0.00770 -0.00235 0.00926 -0.00836 92 2S 0.00887 -0.01909 0.00559 -0.02260 0.02363 93 2PX 0.00097 -0.00144 -0.03220 -0.01018 0.00037 94 2PY -0.00575 0.01074 -0.01225 0.01216 -0.00684 95 2PZ 0.01654 -0.04192 0.00397 -0.03815 0.03549 96 3S 0.01011 -0.02173 0.01168 -0.04091 0.04786 97 3PX -0.00046 0.00023 -0.02113 -0.00022 -0.00228 98 3PY 0.00273 -0.00157 -0.00453 -0.02416 0.01163 99 3PZ 0.01113 -0.02389 0.00433 -0.03441 0.04123 100 4XX 0.00007 -0.00011 -0.00074 -0.00107 0.00122 101 4YY -0.00044 0.00136 0.00082 0.00185 -0.00094 102 4ZZ -0.00052 0.00067 -0.00082 0.00345 -0.00177 103 4XY 0.00014 -0.00048 0.00257 0.00011 0.00067 104 4XZ -0.00034 0.00057 0.01161 0.00393 -0.00081 105 4YZ 0.00192 -0.00376 0.00415 -0.00647 0.00537 106 8 C 1S -0.00197 0.00387 -0.01294 -0.00353 -0.00584 107 2S 0.00398 -0.00655 0.03405 0.00624 0.01103 108 2PX 0.00411 -0.00611 0.02972 0.00559 0.01340 109 2PY -0.00199 0.00393 0.03348 -0.01018 -0.00625 110 2PZ 0.00461 -0.00955 0.03524 0.00616 0.01516 111 3S 0.00662 -0.01561 0.05921 0.01705 0.02959 112 3PX 0.00350 -0.00466 0.01552 -0.00506 0.00892 113 3PY -0.00222 0.00488 0.03013 -0.00313 -0.00643 114 3PZ 0.00057 -0.00456 -0.00519 0.00790 0.01131 115 4XX 0.00022 -0.00035 0.00263 -0.00107 0.00066 116 4YY -0.00016 0.00062 0.00265 0.00080 -0.00035 117 4ZZ -0.00006 -0.00025 -0.00480 -0.00101 -0.00046 118 4XY 0.00003 0.00013 0.00028 -0.00033 -0.00017 119 4XZ 0.00042 -0.00093 -0.00026 -0.00080 0.00064 120 4YZ 0.00006 0.00011 -0.00149 -0.00235 -0.00023 121 9 C 1S -0.00310 0.00535 -0.00678 -0.00709 -0.00733 122 2S 0.00533 -0.01521 0.01846 0.01823 0.01975 123 2PX 0.00460 -0.01112 -0.00557 0.00942 0.02036 124 2PY 0.00423 -0.00944 -0.00213 0.00986 0.01037 125 2PZ 0.00986 -0.02745 0.00101 0.02110 0.02235 126 3S 0.01142 -0.01791 0.05551 0.03314 0.03642 127 3PX 0.00346 -0.00891 -0.00113 0.00791 0.03085 128 3PY 0.00364 -0.00133 -0.02155 -0.00263 -0.00075 129 3PZ 0.01034 -0.01714 -0.00223 0.01531 0.01442 130 4XX 0.00070 -0.00247 0.00146 0.00314 0.00370 131 4YY -0.00034 0.00061 0.00258 -0.00001 -0.00057 132 4ZZ -0.00155 0.00299 -0.00267 -0.00547 -0.00458 133 4XY -0.00020 0.00055 0.00124 -0.00288 -0.00210 134 4XZ -0.00034 0.00086 -0.00166 -0.00261 -0.00265 135 4YZ -0.00135 0.00325 -0.00225 -0.00535 -0.00499 136 10 H 1S -0.00794 0.01935 -0.00006 -0.02510 -0.02230 137 2S -0.01067 0.02928 -0.02794 -0.04964 -0.04725 138 11 H 1S 0.00338 -0.01049 0.01308 0.01261 0.01051 139 2S 0.00321 -0.00955 -0.00507 0.00741 0.01978 140 12 H 1S -0.00057 0.00084 0.00800 -0.00302 -0.00212 141 2S -0.00118 0.00282 -0.00685 -0.01198 -0.00387 142 13 H 1S -0.00019 -0.00012 -0.02277 -0.00372 -0.00252 143 2S -0.00023 -0.00178 -0.05589 -0.00803 -0.00055 144 14 H 1S -0.00748 0.01602 -0.00520 0.02573 -0.01327 145 2S -0.01172 0.02395 -0.00919 0.05608 -0.02966 146 15 C 1S 0.00030 0.00013 -0.00034 0.00112 0.00025 147 2S -0.00079 0.00188 -0.00956 -0.00431 -0.00342 148 2PX 0.00035 -0.00126 0.00783 0.00583 0.00209 149 2PY 0.00051 -0.00184 0.00093 0.00317 0.00212 150 2PZ 0.00035 -0.00130 -0.00318 -0.00318 -0.00014 151 3S 0.00118 -0.00219 0.05032 -0.01538 0.00481 152 3PX -0.00015 0.00071 -0.00195 0.01197 -0.00044 153 3PY -0.00032 -0.00069 -0.00440 -0.00198 -0.00584 154 3PZ -0.00013 0.00073 0.00965 0.00535 -0.00045 155 4XX 0.00004 0.00012 -0.00212 -0.00088 0.00004 156 4YY 0.00012 0.00001 -0.00069 0.00010 -0.00015 157 4ZZ -0.00012 0.00024 0.00097 0.00026 -0.00074 158 4XY 0.00004 -0.00012 -0.00099 -0.00023 0.00017 159 4XZ 0.00004 -0.00009 -0.00181 -0.00079 -0.00013 160 4YZ -0.00004 0.00016 0.00012 0.00029 -0.00020 161 16 O 1S 0.00024 0.00021 0.00284 0.00105 0.00030 162 2S 0.00050 -0.00059 -0.00060 -0.00204 0.00031 163 2PX 0.00074 -0.00055 0.00977 0.01024 0.00439 164 2PY 0.00077 -0.00321 -0.00629 -0.00009 0.00249 165 2PZ 0.00003 -0.00293 -0.01077 -0.00713 -0.00210 166 3S -0.00445 -0.00030 -0.04173 -0.01185 -0.00924 167 3PX 0.00248 -0.00213 0.01550 0.00853 0.00598 168 3PY 0.00102 -0.00166 -0.00154 -0.00051 0.00326 169 3PZ -0.00060 -0.00150 -0.00739 -0.00441 -0.00132 170 4XX 0.00034 -0.00006 0.00128 -0.00001 0.00014 171 4YY 0.00050 0.00006 0.00129 0.00005 0.00024 172 4ZZ 0.00048 0.00019 0.00332 0.00054 0.00019 173 4XY 0.00003 -0.00025 -0.00063 0.00022 0.00016 174 4XZ 0.00004 0.00016 -0.00076 -0.00009 -0.00000 175 4YZ 0.00006 0.00025 0.00095 0.00006 -0.00015 176 17 C 1S -0.00166 0.00204 0.00283 -0.00162 -0.00278 177 2S 0.00231 -0.00614 -0.01925 0.00343 0.00555 178 2PX -0.00452 0.01517 0.01984 -0.01037 -0.01446 179 2PY 0.00004 -0.00318 0.00218 0.00116 0.00046 180 2PZ 0.00007 -0.00234 0.00462 0.00180 -0.00131 181 3S 0.01199 -0.01488 0.04253 0.00759 0.02995 182 3PX -0.00491 0.00953 0.00656 -0.00421 -0.01272 183 3PY 0.00063 -0.00031 0.00284 0.00857 0.00613 184 3PZ 0.00037 -0.00077 0.01337 0.00091 -0.00579 185 4XX -0.00015 -0.00085 -0.00008 0.00127 0.00189 186 4YY -0.00052 0.00060 0.00005 -0.00059 -0.00034 187 4ZZ -0.00067 0.00075 -0.00059 -0.00059 -0.00133 188 4XY 0.00013 -0.00019 -0.00138 -0.00059 -0.00031 189 4XZ 0.00065 -0.00096 -0.00287 0.00013 0.00058 190 4YZ -0.00032 0.00030 0.00023 -0.00039 -0.00030 191 18 O 1S 0.00012 -0.00027 0.00184 -0.00016 0.00065 192 2S 0.00075 0.00001 -0.00043 -0.00064 -0.00282 193 2PX 0.00038 -0.00131 0.00835 0.00255 0.00934 194 2PY 0.00136 -0.00307 -0.00966 -0.00006 -0.00079 195 2PZ 0.00109 -0.00694 -0.01519 -0.00069 -0.00322 196 3S -0.00408 0.00256 -0.02736 0.00407 0.00120 197 3PX 0.00250 -0.00383 0.00741 0.00189 0.00803 198 3PY 0.00001 -0.00227 -0.01624 -0.00071 0.00006 199 3PZ 0.00103 -0.00430 -0.00561 -0.00259 -0.00223 200 4XX 0.00036 -0.00032 0.00105 -0.00020 -0.00039 201 4YY 0.00046 -0.00050 0.00035 -0.00046 -0.00065 202 4ZZ 0.00040 0.00038 0.00231 -0.00046 -0.00048 203 4XY 0.00017 -0.00001 0.00065 0.00009 0.00020 204 4XZ -0.00002 0.00001 -0.00106 0.00018 -0.00021 205 4YZ 0.00004 -0.00020 0.00022 0.00007 0.00013 206 19 O 1S -0.00010 0.00011 0.00043 -0.00038 -0.00013 207 2S 0.00031 -0.00075 0.00254 -0.00050 -0.00014 208 2PX -0.00060 0.00102 -0.00168 -0.00233 -0.00023 209 2PY -0.00009 0.00068 0.00127 -0.00246 -0.00088 210 2PZ -0.00033 -0.00002 -0.00798 -0.00076 -0.00126 211 3S 0.00014 0.00147 -0.01543 0.00716 0.00326 212 3PX -0.00042 0.00039 -0.00160 -0.00479 -0.00002 213 3PY 0.00004 -0.00021 0.00727 -0.00350 -0.00099 214 3PZ -0.00023 -0.00004 -0.00895 -0.00171 -0.00090 215 4XX -0.00000 -0.00011 0.00119 -0.00051 -0.00017 216 4YY -0.00004 -0.00015 0.00076 -0.00022 -0.00010 217 4ZZ -0.00000 -0.00017 0.00144 -0.00053 -0.00018 218 4XY 0.00001 0.00005 -0.00015 0.00016 -0.00012 219 4XZ -0.00002 0.00003 -0.00032 -0.00009 -0.00008 220 4YZ 0.00001 0.00007 0.00070 0.00025 0.00007 221 20 H 1S -0.00009 -0.00211 0.02006 0.00500 -0.00120 222 2S 0.00041 -0.00540 0.04840 0.01434 0.00241 223 21 H 1S -0.00753 0.01780 0.01191 -0.02204 -0.02228 224 2S -0.01094 0.02761 0.04553 -0.03477 -0.04827 225 22 H 1S 0.00885 -0.01763 -0.00757 0.03626 0.00538 226 2S 0.00906 -0.01709 -0.01149 0.06499 0.00697 227 23 H 1S -0.06119 0.11442 0.00877 -0.05107 0.25425 228 2S -0.01640 0.03050 0.00623 -0.03674 0.22427 229 24 H 1S -0.00502 0.01175 -0.05161 0.00491 -0.00259 230 2S -0.00765 0.01644 -0.08383 0.01533 0.00086 231 25 H 1S -0.00486 0.01007 0.04493 0.02628 -0.00078 232 2S -0.00748 0.01445 0.07372 0.05046 0.00406 233 26 H 1S 0.00750 -0.01700 0.00483 -0.02198 -0.00483 234 2S 0.00649 -0.01460 0.00565 -0.02677 0.01582 36 37 38 39 40 36 3S 0.29102 37 3PX 0.00316 0.18310 38 3PY 0.00529 0.02455 0.07628 39 3PZ 0.00319 -0.00029 -0.00592 0.05169 40 4XX -0.01230 -0.00296 -0.00013 -0.00062 0.00094 41 4YY -0.00601 0.00261 0.00247 -0.00204 0.00028 42 4ZZ 0.00548 -0.00003 -0.00309 0.00439 -0.00009 43 4XY -0.00163 0.00834 0.00169 0.00048 -0.00008 44 4XZ 0.00018 -0.00469 0.00004 0.00049 -0.00000 45 4YZ -0.00403 0.00018 -0.00454 -0.00148 0.00019 46 4 C 1S 0.01954 -0.00097 0.00508 -0.00239 0.00118 47 2S 0.00061 0.00328 -0.01808 -0.01923 -0.00248 48 2PX -0.01850 0.00431 0.01445 0.00804 0.00386 49 2PY 0.10836 0.01417 -0.05557 -0.04735 -0.00338 50 2PZ 0.03249 0.02306 -0.09869 -0.01675 -0.00320 51 3S -0.03692 0.01064 -0.02210 -0.02015 -0.00154 52 3PX -0.00475 0.00036 0.00393 0.00296 0.00153 53 3PY 0.02735 0.00936 -0.02862 -0.01520 -0.00117 54 3PZ -0.00393 0.00460 -0.04024 -0.00246 -0.00032 55 4XX -0.00219 -0.00282 0.00333 0.00106 0.00032 56 4YY 0.00121 0.00195 0.00056 -0.00194 -0.00020 57 4ZZ 0.00361 0.00067 -0.00285 0.00249 -0.00014 58 4XY -0.00040 0.00512 0.00205 0.00055 0.00008 59 4XZ -0.00247 0.00743 0.00248 0.00039 -0.00013 60 4YZ 0.01165 0.00265 -0.00390 -0.00223 -0.00050 61 5 C 1S 0.00664 0.00999 -0.00065 -0.00505 -0.00110 62 2S -0.00871 -0.02572 0.00756 0.00584 0.00195 63 2PX 0.01084 0.01810 -0.01934 -0.00367 -0.00140 64 2PY -0.02283 -0.00109 0.00984 0.00626 0.00031 65 2PZ -0.00964 -0.02636 0.03347 -0.00041 0.00294 66 3S 0.01809 -0.06129 0.01251 -0.00130 0.00258 67 3PX 0.00401 0.01348 -0.01265 -0.00724 -0.00108 68 3PY 0.00342 0.01499 0.00462 -0.00860 -0.00038 69 3PZ -0.00523 -0.01815 0.01724 0.00018 0.00164 70 4XX -0.00039 -0.00209 0.00094 0.00015 -0.00001 71 4YY -0.00196 -0.00131 -0.00067 0.00131 0.00003 72 4ZZ 0.00207 0.00326 -0.00181 -0.00131 -0.00011 73 4XY -0.00034 -0.00079 0.00245 0.00015 0.00010 74 4XZ -0.00151 -0.00248 0.00109 0.00147 0.00011 75 4YZ 0.00315 0.00253 -0.00212 -0.00108 -0.00016 76 6 C 1S 0.00445 0.01152 0.00135 -0.00424 -0.00045 77 2S -0.01666 -0.02773 -0.00934 0.01271 0.00094 78 2PX 0.02725 0.03191 0.01786 -0.02026 -0.00012 79 2PY 0.02474 -0.01337 -0.01051 -0.00659 0.00011 80 2PZ -0.03831 -0.02674 -0.01987 0.02162 0.00089 81 3S -0.03175 -0.05384 -0.01208 0.02273 0.00199 82 3PX 0.01313 0.01890 0.01595 -0.01300 -0.00038 83 3PY 0.02514 -0.01742 -0.00061 -0.00874 0.00009 84 3PZ -0.01781 -0.00365 -0.00383 0.01021 0.00023 85 4XX -0.00137 -0.00101 -0.00164 0.00135 0.00005 86 4YY 0.00078 -0.00204 -0.00028 -0.00020 0.00002 87 4ZZ 0.00131 0.00291 0.00152 -0.00153 -0.00006 88 4XY -0.00021 0.00029 0.00012 -0.00005 0.00005 89 4XZ 0.00148 -0.00150 0.00080 0.00008 0.00006 90 4YZ 0.00072 0.00143 -0.00124 -0.00038 -0.00010 91 7 C 1S 0.00453 -0.00236 0.00910 0.00391 -0.00020 92 2S -0.03173 0.00399 -0.01646 0.01213 0.00038 93 2PX -0.01301 -0.03154 -0.01566 0.00613 -0.00064 94 2PY 0.07192 -0.01582 0.02759 -0.03288 -0.00038 95 2PZ -0.04902 0.00179 -0.02821 -0.01410 -0.00055 96 3S -0.02503 0.00603 -0.01840 0.01042 0.00003 97 3PX -0.00421 -0.01767 -0.00430 0.00045 -0.00048 98 3PY 0.01572 -0.00784 -0.00376 -0.00327 0.00041 99 3PZ -0.02288 0.00161 -0.01686 -0.00043 -0.00007 100 4XX -0.00032 -0.00062 -0.00114 0.00134 0.00008 101 4YY 0.00263 0.00060 0.00222 -0.00026 0.00003 102 4ZZ 0.00089 -0.00025 0.00069 -0.00206 -0.00016 103 4XY -0.00084 0.00239 -0.00002 0.00044 0.00001 104 4XZ 0.00099 0.00872 0.00259 -0.00055 -0.00019 105 4YZ -0.00569 0.00260 -0.00254 0.00317 0.00014 106 8 C 1S 0.00398 -0.01059 -0.00243 -0.00280 -0.00025 107 2S -0.01684 0.02757 0.00381 0.01112 0.00046 108 2PX -0.04554 0.02652 0.00567 0.02863 0.00052 109 2PY 0.01329 0.03043 -0.00401 0.00056 -0.00051 110 2PZ -0.02840 0.03424 -0.00622 0.01513 0.00077 111 3S -0.03491 0.04833 0.00512 0.02209 0.00059 112 3PX -0.02459 0.01318 -0.00121 0.01604 0.00054 113 3PY 0.01452 0.02494 0.00264 -0.00212 -0.00056 114 3PZ -0.01164 0.00017 -0.00330 0.00747 0.00071 115 4XX -0.00040 0.00205 -0.00103 0.00063 -0.00004 116 4YY 0.00096 0.00192 0.00040 -0.00009 0.00003 117 4ZZ 0.00054 -0.00391 0.00022 -0.00116 -0.00003 118 4XY -0.00131 0.00009 -0.00038 0.00103 0.00008 119 4XZ -0.00219 0.00005 -0.00033 0.00045 -0.00001 120 4YZ 0.00023 -0.00113 -0.00206 -0.00055 0.00001 121 9 C 1S 0.01076 -0.00873 -0.00629 -0.00722 -0.00023 122 2S -0.00960 0.01960 0.01688 0.00642 -0.00011 123 2PX 0.00369 0.00861 0.01595 -0.00359 -0.00266 124 2PY -0.03063 -0.00085 0.01741 0.01071 0.00025 125 2PZ -0.02389 0.00809 0.03989 0.00892 -0.00053 126 3S 0.00530 0.04806 0.03229 0.00662 -0.00047 127 3PX 0.00231 0.00619 0.00851 0.00387 -0.00118 128 3PY -0.00530 -0.01631 0.00508 0.00077 0.00023 129 3PZ -0.01543 0.00322 0.01861 0.00615 -0.00003 130 4XX -0.00100 0.00073 0.00309 0.00063 0.00005 131 4YY -0.00073 0.00192 -0.00121 0.00045 0.00004 132 4ZZ 0.00212 -0.00221 -0.00317 -0.00132 -0.00009 133 4XY 0.00010 0.00054 -0.00028 -0.00017 -0.00000 134 4XZ 0.00013 -0.00091 -0.00042 -0.00111 -0.00017 135 4YZ 0.00400 -0.00175 -0.00357 -0.00201 -0.00010 136 10 H 1S 0.02677 -0.00064 -0.02907 -0.01046 -0.00031 137 2S 0.02937 -0.02237 -0.04398 -0.01588 -0.00022 138 11 H 1S -0.00882 0.00683 0.01264 0.00754 0.00123 139 2S -0.00795 -0.00884 0.00817 0.00968 0.00144 140 12 H 1S 0.01761 0.00708 -0.00547 -0.00871 -0.00026 141 2S 0.01749 -0.00467 -0.01052 -0.00760 -0.00025 142 13 H 1S 0.00835 -0.02112 0.00525 -0.00669 -0.00023 143 2S 0.01004 -0.04554 0.00215 -0.01021 0.00000 144 14 H 1S 0.04862 -0.00534 0.02500 -0.01612 -0.00020 145 2S 0.05431 -0.00545 0.03669 -0.02250 -0.00066 146 15 C 1S -0.00748 -0.00087 -0.00022 0.00316 0.00004 147 2S 0.00874 -0.00651 -0.00288 -0.00343 0.00031 148 2PX -0.00550 0.00530 0.00706 0.00198 -0.00069 149 2PY -0.00761 0.00016 0.00350 -0.00115 -0.00023 150 2PZ -0.00074 -0.00406 -0.00088 0.00301 -0.00008 151 3S 0.00165 0.03614 -0.00258 0.00289 -0.00007 152 3PX 0.00060 -0.00142 0.00657 -0.00031 -0.00008 153 3PY -0.00256 -0.00409 -0.00111 -0.00229 -0.00004 154 3PZ 0.00335 0.00655 0.00437 0.00002 -0.00014 155 4XX -0.00081 -0.00188 -0.00069 0.00087 0.00002 156 4YY -0.00049 -0.00058 -0.00009 0.00009 0.00002 157 4ZZ 0.00122 0.00095 0.00040 -0.00080 -0.00004 158 4XY -0.00063 -0.00075 -0.00014 0.00048 0.00008 159 4XZ 0.00114 -0.00122 -0.00000 -0.00048 0.00002 160 4YZ 0.00007 -0.00021 0.00050 0.00010 0.00006 161 16 O 1S -0.00050 0.00172 0.00106 0.00062 0.00013 162 2S 0.00396 0.00047 -0.00208 -0.00182 -0.00055 163 2PX -0.01781 0.00590 0.00822 0.00693 0.00034 164 2PY 0.00064 -0.00157 0.00844 -0.00077 -0.00001 165 2PZ 0.01383 -0.00187 -0.00162 -0.01091 0.00019 166 3S -0.00337 -0.03048 -0.01060 -0.00412 -0.00017 167 3PX -0.01117 0.01077 0.00725 0.00556 0.00024 168 3PY 0.00217 0.00148 0.00473 -0.00099 -0.00009 169 3PZ 0.00973 -0.00147 -0.00028 -0.00691 0.00008 170 4XX 0.00149 0.00109 0.00008 -0.00042 -0.00001 171 4YY -0.00037 0.00072 0.00019 0.00028 -0.00001 172 4ZZ -0.00008 0.00237 0.00046 0.00017 -0.00004 173 4XY 0.00003 -0.00037 -0.00016 -0.00004 0.00002 174 4XZ -0.00045 -0.00075 -0.00025 0.00040 0.00001 175 4YZ -0.00022 0.00053 -0.00004 0.00022 -0.00003 176 17 C 1S 0.00815 0.00259 -0.00058 -0.00455 -0.00076 177 2S -0.00552 -0.01339 0.00304 0.00347 0.00090 178 2PX 0.00030 0.01120 -0.01029 0.00027 -0.00112 179 2PY 0.01619 0.00449 -0.00392 -0.00948 -0.00008 180 2PZ -0.00073 0.00652 -0.00016 -0.00186 0.00057 181 3S -0.00665 0.03294 0.01135 0.00820 0.00002 182 3PX 0.00577 0.00224 -0.00213 -0.00381 -0.00039 183 3PY 0.00331 0.00502 0.00319 0.00112 0.00005 184 3PZ 0.00514 0.01180 -0.00029 -0.00568 0.00008 185 4XX 0.00003 -0.00098 0.00167 0.00008 0.00013 186 4YY 0.00061 -0.00007 -0.00090 -0.00019 -0.00012 187 4ZZ 0.00046 0.00053 -0.00119 -0.00029 -0.00006 188 4XY 0.00049 -0.00098 -0.00103 -0.00041 0.00003 189 4XZ -0.00031 -0.00162 0.00000 -0.00002 0.00009 190 4YZ 0.00183 0.00025 0.00017 -0.00088 -0.00002 191 18 O 1S 0.00168 0.00030 0.00154 -0.00094 0.00009 192 2S -0.00442 0.00233 -0.00309 0.00217 -0.00028 193 2PX 0.01832 0.00178 0.00781 -0.00689 -0.00008 194 2PY 0.00293 -0.00280 -0.00123 -0.00241 0.00103 195 2PZ 0.01357 -0.00134 -0.00875 -0.00950 0.00025 196 3S -0.00038 -0.01560 -0.00456 0.00373 -0.00033 197 3PX 0.00997 0.00241 0.00640 -0.00418 0.00012 198 3PY 0.00295 -0.00902 -0.00174 -0.00175 0.00074 199 3PZ 0.00697 0.00201 -0.00638 -0.00522 0.00013 200 4XX -0.00052 0.00084 -0.00005 -0.00009 0.00001 201 4YY 0.00050 0.00044 -0.00028 -0.00071 0.00006 202 4ZZ -0.00054 0.00102 0.00040 0.00016 -0.00005 203 4XY 0.00014 0.00015 0.00020 -0.00010 -0.00003 204 4XZ -0.00083 -0.00079 0.00011 0.00035 0.00002 205 4YZ 0.00030 0.00041 -0.00014 -0.00020 -0.00003 206 19 O 1S -0.00153 0.00081 -0.00089 0.00037 -0.00002 207 2S 0.00253 0.00029 0.00154 -0.00142 0.00008 208 2PX -0.00173 -0.00346 -0.00033 0.00651 0.00004 209 2PY 0.00557 -0.00027 -0.00124 0.00206 0.00019 210 2PZ 0.00336 -0.01078 0.00323 0.00257 0.00065 211 3S 0.00640 -0.01186 0.00280 0.00027 0.00021 212 3PX -0.00120 -0.00276 -0.00196 0.00451 0.00007 213 3PY 0.00314 0.00418 -0.00057 0.00061 0.00008 214 3PZ 0.00205 -0.00993 0.00123 0.00172 0.00052 215 4XX -0.00016 0.00080 -0.00013 -0.00002 -0.00001 216 4YY -0.00047 0.00062 -0.00004 -0.00020 -0.00002 217 4ZZ -0.00021 0.00096 -0.00009 0.00003 -0.00001 218 4XY 0.00026 0.00001 -0.00003 -0.00036 0.00001 219 4XZ 0.00003 -0.00020 -0.00001 -0.00002 0.00000 220 4YZ -0.00004 0.00077 -0.00003 -0.00018 -0.00003 221 20 H 1S 0.01653 0.01466 0.01288 -0.01134 -0.00029 222 2S 0.01669 0.03507 0.01871 -0.01451 -0.00079 223 21 H 1S 0.01826 0.01483 -0.02648 -0.00472 -0.00129 224 2S 0.02282 0.03810 -0.02971 -0.01140 -0.00200 225 22 H 1S -0.05823 -0.00094 0.00529 0.01262 0.00059 226 2S -0.05100 -0.00056 0.01184 0.01211 0.00067 227 23 H 1S 0.11999 0.00263 -0.01822 0.08328 -0.00571 228 2S 0.04806 0.00046 -0.00702 0.06458 -0.00221 229 24 H 1S 0.02317 -0.04063 -0.00821 -0.00791 0.00005 230 2S 0.02819 -0.06297 -0.00574 -0.00610 0.00032 231 25 H 1S 0.02727 0.04043 0.01118 -0.00877 -0.00033 232 2S 0.03299 0.06292 0.02292 -0.00692 -0.00111 233 26 H 1S -0.02214 -0.00158 0.00583 -0.00707 -0.00005 234 2S -0.01530 -0.00092 0.00186 -0.00306 -0.00024 41 42 43 44 45 41 4YY 0.00116 42 4ZZ -0.00083 0.00164 43 4XY 0.00001 0.00018 0.00068 44 4XZ -0.00006 0.00005 -0.00007 0.00033 45 4YZ 0.00019 -0.00018 -0.00003 -0.00019 0.00118 46 4 C 1S -0.00218 -0.00086 0.00088 0.00118 -0.00527 47 2S 0.00347 0.00211 -0.00158 -0.00224 0.01022 48 2PX -0.00088 -0.00152 -0.00747 -0.00638 -0.00372 49 2PY -0.00860 0.00498 -0.00074 -0.00379 0.00893 50 2PZ 0.00574 -0.00843 -0.00317 -0.00183 0.00654 51 3S 0.00604 -0.00114 -0.00156 -0.00238 0.01149 52 3PX -0.00054 -0.00074 -0.00323 -0.00220 -0.00155 53 3PY -0.00314 0.00140 -0.00019 -0.00145 0.00421 54 3PZ 0.00252 -0.00345 -0.00133 -0.00082 0.00369 55 4XX -0.00035 0.00023 0.00010 0.00015 -0.00025 56 4YY 0.00061 -0.00078 -0.00015 -0.00007 -0.00020 57 4ZZ -0.00033 0.00044 0.00006 0.00001 -0.00004 58 4XY -0.00020 0.00026 0.00023 -0.00030 -0.00008 59 4XZ 0.00033 -0.00007 0.00063 0.00010 -0.00002 60 4YZ -0.00035 0.00016 0.00009 -0.00008 0.00030 61 5 C 1S 0.00067 -0.00111 0.00100 0.00052 -0.00025 62 2S -0.00212 0.00191 -0.00210 -0.00154 -0.00008 63 2PX 0.00328 -0.00474 0.00378 0.00381 -0.00073 64 2PY 0.00097 -0.00125 0.00133 -0.00005 -0.00015 65 2PZ -0.00360 0.00344 -0.00391 -0.00329 0.00046 66 3S -0.00357 0.00198 -0.00360 -0.00131 0.00030 67 3PX 0.00260 -0.00332 0.00167 0.00162 0.00041 68 3PY 0.00083 -0.00118 0.00096 -0.00083 0.00124 69 3PZ -0.00165 0.00132 -0.00241 -0.00181 -0.00013 70 4XX -0.00014 0.00033 0.00008 0.00013 0.00015 71 4YY 0.00021 -0.00019 0.00001 0.00014 -0.00016 72 4ZZ 0.00010 -0.00018 -0.00003 -0.00010 0.00014 73 4XY 0.00000 0.00011 -0.00008 0.00002 -0.00010 74 4XZ -0.00003 -0.00007 0.00010 0.00026 -0.00031 75 4YZ -0.00007 -0.00003 0.00021 0.00003 0.00012 76 6 C 1S -0.00012 0.00006 0.00021 0.00001 0.00008 77 2S 0.00051 -0.00045 -0.00072 0.00011 0.00053 78 2PX -0.00027 0.00049 0.00046 0.00041 -0.00083 79 2PY -0.00096 0.00056 -0.00083 0.00007 0.00179 80 2PZ 0.00048 -0.00036 0.00009 -0.00065 0.00040 81 3S 0.00126 -0.00192 -0.00257 0.00067 -0.00068 82 3PX -0.00041 0.00073 0.00060 0.00042 -0.00160 83 3PY -0.00120 0.00041 -0.00078 0.00009 0.00116 84 3PZ 0.00038 -0.00034 0.00063 -0.00041 -0.00091 85 4XX 0.00005 -0.00011 -0.00007 0.00006 0.00013 86 4YY -0.00001 -0.00004 -0.00008 0.00002 0.00009 87 4ZZ -0.00011 0.00023 0.00008 -0.00004 -0.00019 88 4XY -0.00015 0.00018 -0.00014 -0.00006 0.00002 89 4XZ 0.00010 -0.00025 -0.00010 0.00002 0.00020 90 4YZ 0.00008 -0.00002 0.00013 0.00008 -0.00004 91 7 C 1S 0.00061 -0.00144 -0.00019 -0.00031 0.00140 92 2S -0.00116 0.00254 0.00024 0.00059 -0.00295 93 2PX 0.00069 0.00022 0.00141 -0.00035 -0.00016 94 2PY -0.00026 -0.00046 0.00043 -0.00039 0.00148 95 2PZ -0.00381 0.00948 0.00089 0.00189 -0.00908 96 3S -0.00371 0.00611 0.00111 0.00094 -0.00366 97 3PX 0.00026 0.00035 0.00089 0.00052 -0.00020 98 3PY 0.00038 -0.00053 -0.00014 -0.00027 0.00150 99 3PZ -0.00311 0.00624 0.00096 0.00099 -0.00380 100 4XX 0.00008 -0.00015 0.00000 -0.00007 0.00025 101 4YY 0.00005 -0.00028 -0.00000 -0.00005 0.00031 102 4ZZ 0.00008 0.00011 -0.00006 0.00009 -0.00053 103 4XY 0.00001 0.00002 0.00002 0.00005 -0.00001 104 4XZ 0.00015 -0.00004 0.00047 -0.00020 -0.00010 105 4YZ 0.00007 0.00018 0.00013 -0.00009 0.00022 106 8 C 1S -0.00024 0.00013 -0.00028 -0.00012 0.00003 107 2S 0.00088 -0.00056 0.00075 -0.00010 0.00024 108 2PX 0.00030 -0.00077 -0.00015 0.00042 -0.00003 109 2PY 0.00005 0.00037 0.00100 -0.00079 0.00162 110 2PZ 0.00036 -0.00078 0.00008 0.00078 0.00055 111 3S 0.00277 -0.00184 0.00173 -0.00017 -0.00027 112 3PX 0.00052 -0.00090 -0.00027 0.00007 0.00045 113 3PY -0.00017 0.00042 0.00134 -0.00056 0.00150 114 3PZ 0.00003 -0.00057 -0.00096 0.00068 -0.00030 115 4XX 0.00007 0.00001 0.00014 -0.00007 0.00015 116 4YY 0.00005 -0.00018 -0.00005 -0.00007 0.00004 117 4ZZ -0.00016 0.00026 -0.00003 0.00010 -0.00018 118 4XY 0.00001 -0.00016 -0.00015 -0.00006 -0.00005 119 4XZ -0.00011 0.00021 0.00004 0.00010 -0.00012 120 4YZ -0.00007 0.00010 -0.00018 -0.00001 -0.00015 121 9 C 1S -0.00011 -0.00088 -0.00144 -0.00044 -0.00042 122 2S -0.00023 0.00150 0.00301 0.00136 0.00071 123 2PX 0.00032 0.00531 0.00462 0.00281 0.00236 124 2PY -0.00009 0.00074 0.00121 0.00182 0.00107 125 2PZ -0.00035 0.00333 0.00574 0.00276 0.00196 126 3S -0.00102 0.00201 0.00525 0.00109 0.00068 127 3PX -0.00034 0.00310 0.00264 0.00163 0.00023 128 3PY -0.00040 0.00024 -0.00008 0.00106 0.00112 129 3PZ -0.00016 0.00113 0.00280 0.00157 0.00040 130 4XX -0.00008 0.00030 0.00014 -0.00008 -0.00000 131 4YY 0.00008 -0.00020 -0.00014 -0.00009 -0.00010 132 4ZZ 0.00009 -0.00016 -0.00016 -0.00001 0.00017 133 4XY -0.00020 0.00013 0.00004 -0.00006 0.00018 134 4XZ 0.00016 0.00013 0.00012 0.00014 0.00033 135 4YZ -0.00013 0.00002 -0.00022 -0.00006 0.00022 136 10 H 1S 0.00003 -0.00120 -0.00221 -0.00127 -0.00003 137 2S 0.00003 -0.00209 -0.00369 -0.00101 0.00102 138 11 H 1S -0.00087 -0.00054 0.00045 -0.00058 -0.00079 139 2S -0.00153 0.00021 -0.00087 -0.00077 -0.00124 140 12 H 1S 0.00040 0.00017 0.00078 -0.00030 0.00083 141 2S 0.00021 0.00021 0.00029 -0.00022 0.00128 142 13 H 1S -0.00049 0.00117 0.00012 -0.00002 -0.00086 143 2S -0.00174 0.00231 -0.00086 0.00079 -0.00164 144 14 H 1S 0.00023 -0.00198 -0.00009 -0.00027 0.00133 145 2S 0.00045 -0.00267 0.00000 -0.00009 0.00074 146 15 C 1S 0.00013 -0.00001 0.00006 0.00012 -0.00017 147 2S -0.00033 0.00004 -0.00081 -0.00004 0.00048 148 2PX -0.00003 -0.00003 0.00064 -0.00018 -0.00090 149 2PY 0.00012 -0.00029 0.00053 0.00012 -0.00065 150 2PZ 0.00043 -0.00062 0.00009 -0.00005 0.00009 151 3S 0.00013 0.00048 0.00126 -0.00111 0.00156 152 3PX -0.00016 -0.00006 0.00023 0.00003 -0.00076 153 3PY -0.00011 -0.00002 0.00002 0.00007 -0.00022 154 3PZ 0.00040 -0.00037 0.00053 -0.00007 -0.00004 155 4XX -0.00001 0.00000 -0.00002 -0.00000 0.00007 156 4YY 0.00004 -0.00004 -0.00003 0.00002 -0.00002 157 4ZZ -0.00002 0.00001 -0.00001 -0.00001 -0.00003 158 4XY 0.00002 -0.00005 -0.00000 -0.00002 0.00004 159 4XZ -0.00006 -0.00000 -0.00010 0.00005 0.00004 160 4YZ -0.00003 0.00003 -0.00003 0.00003 -0.00001 161 16 O 1S 0.00008 0.00004 0.00021 -0.00005 -0.00003 162 2S -0.00028 -0.00014 -0.00037 -0.00007 0.00009 163 2PX 0.00015 -0.00026 0.00083 0.00004 -0.00018 164 2PY -0.00004 -0.00069 0.00049 0.00035 -0.00020 165 2PZ -0.00012 -0.00083 -0.00052 0.00030 0.00011 166 3S -0.00069 -0.00036 -0.00210 0.00064 0.00018 167 3PX 0.00011 -0.00015 0.00097 -0.00009 -0.00009 168 3PY 0.00012 -0.00038 0.00046 0.00023 -0.00010 169 3PZ -0.00010 -0.00046 -0.00033 0.00022 0.00006 170 4XX -0.00001 0.00000 0.00003 -0.00004 0.00001 171 4YY 0.00002 0.00002 0.00005 -0.00003 -0.00001 172 4ZZ -0.00000 0.00004 0.00012 -0.00006 -0.00002 173 4XY -0.00001 0.00001 0.00002 0.00004 -0.00001 174 4XZ 0.00001 0.00003 -0.00003 0.00002 0.00001 175 4YZ 0.00004 0.00001 0.00005 0.00001 0.00001 176 17 C 1S -0.00013 -0.00025 -0.00019 -0.00031 0.00013 177 2S -0.00033 -0.00001 0.00013 0.00084 -0.00035 178 2PX 0.00135 0.00049 -0.00066 -0.00105 0.00059 179 2PY -0.00028 -0.00013 -0.00038 -0.00040 0.00008 180 2PZ -0.00086 -0.00030 -0.00064 -0.00060 -0.00002 181 3S -0.00029 0.00124 0.00307 0.00032 -0.00069 182 3PX 0.00068 -0.00017 -0.00064 -0.00079 0.00042 183 3PY 0.00019 -0.00031 0.00037 0.00004 -0.00020 184 3PZ -0.00022 -0.00064 0.00001 -0.00048 -0.00008 185 4XX -0.00011 0.00017 -0.00020 -0.00021 -0.00003 186 4YY 0.00000 0.00007 -0.00008 -0.00001 0.00001 187 4ZZ 0.00009 -0.00017 0.00016 0.00016 0.00000 188 4XY -0.00007 -0.00002 -0.00010 0.00004 0.00003 189 4XZ 0.00002 -0.00006 -0.00000 0.00009 -0.00003 190 4YZ -0.00001 -0.00001 -0.00001 -0.00001 0.00001 191 18 O 1S 0.00005 -0.00004 -0.00011 -0.00009 -0.00005 192 2S -0.00025 0.00001 0.00032 0.00008 0.00015 193 2PX 0.00033 0.00131 -0.00104 -0.00164 0.00004 194 2PY 0.00009 -0.00056 -0.00037 0.00001 -0.00004 195 2PZ -0.00070 -0.00143 0.00057 0.00104 0.00016 196 3S -0.00028 -0.00016 -0.00028 0.00072 0.00010 197 3PX 0.00006 0.00096 -0.00062 -0.00113 -0.00003 198 3PY -0.00003 -0.00035 -0.00046 0.00025 -0.00000 199 3PZ -0.00041 -0.00083 0.00057 0.00067 0.00014 200 4XX -0.00002 -0.00006 0.00006 0.00002 0.00000 201 4YY -0.00002 -0.00003 -0.00003 -0.00004 0.00002 202 4ZZ 0.00006 0.00008 0.00003 -0.00008 0.00002 203 4XY 0.00005 0.00004 -0.00004 -0.00006 0.00000 204 4XZ -0.00001 -0.00002 0.00001 0.00006 -0.00001 205 4YZ -0.00002 -0.00003 0.00005 0.00003 -0.00000 206 19 O 1S -0.00006 -0.00002 0.00005 -0.00004 0.00007 207 2S 0.00017 0.00011 -0.00004 0.00003 -0.00015 208 2PX -0.00023 -0.00018 0.00025 -0.00044 0.00035 209 2PY -0.00001 0.00036 -0.00027 0.00003 0.00041 210 2PZ -0.00056 0.00003 -0.00071 0.00021 0.00012 211 3S 0.00034 -0.00009 -0.00072 0.00047 -0.00039 212 3PX -0.00017 -0.00008 0.00011 -0.00032 0.00044 213 3PY -0.00006 0.00030 0.00008 -0.00012 0.00033 214 3PZ -0.00050 0.00012 -0.00068 0.00020 0.00011 215 4XX -0.00001 0.00002 0.00005 -0.00003 0.00003 216 4YY -0.00002 0.00001 0.00003 -0.00002 -0.00002 217 4ZZ -0.00001 0.00003 0.00004 -0.00003 0.00002 218 4XY 0.00001 0.00000 -0.00003 0.00003 -0.00000 219 4XZ -0.00001 -0.00001 -0.00001 0.00000 0.00001 220 4YZ 0.00001 0.00002 0.00004 -0.00001 -0.00001 221 20 H 1S -0.00053 0.00096 0.00007 0.00021 -0.00086 222 2S -0.00104 0.00208 0.00131 -0.00032 -0.00200 223 21 H 1S 0.00090 -0.00132 0.00109 0.00087 0.00059 224 2S 0.00158 -0.00218 0.00176 -0.00008 0.00161 225 22 H 1S 0.00818 -0.00562 -0.00203 0.00021 -0.00052 226 2S 0.00651 -0.00591 -0.00134 0.00084 -0.00297 227 23 H 1S -0.00927 0.01440 0.00106 0.00107 -0.00539 228 2S -0.00845 0.01334 0.00184 0.00118 -0.00550 229 24 H 1S -0.00166 0.00049 -0.00029 0.00087 -0.00099 230 2S -0.00227 0.00052 -0.00178 0.00151 -0.00174 231 25 H 1S -0.00128 0.00032 0.00106 -0.00042 -0.00126 232 2S -0.00090 0.00021 0.00254 -0.00071 -0.00216 233 26 H 1S -0.00026 0.00124 0.00002 -0.00010 0.00038 234 2S -0.00173 0.00313 0.00040 0.00017 -0.00090 46 47 48 49 50 46 4 C 1S 2.05233 47 2S -0.05108 0.31079 48 2PX 0.00154 -0.00565 0.37772 49 2PY 0.00471 -0.00192 -0.00941 0.40849 50 2PZ -0.00388 -0.00055 0.01136 -0.00164 0.39425 51 3S -0.20848 0.28094 -0.00755 -0.00750 0.04761 52 3PX 0.00457 -0.00641 0.15078 -0.00299 0.00678 53 3PY -0.01110 -0.00955 -0.00812 0.17238 0.01472 54 3PZ 0.00478 0.00093 0.00247 0.00290 0.15153 55 4XX -0.01371 -0.00674 -0.00079 0.00197 -0.01304 56 4YY -0.01649 -0.00121 0.00352 -0.00891 0.01486 57 4ZZ -0.01419 -0.00551 -0.00144 0.00360 -0.00004 58 4XY 0.00071 -0.00155 0.00456 0.00466 -0.00725 59 4XZ -0.00039 0.00085 -0.01389 -0.00723 -0.00115 60 4YZ 0.00156 -0.00346 -0.00691 0.01749 0.00626 61 5 C 1S 0.01076 -0.02015 -0.04986 -0.01889 0.03682 62 2S -0.02013 0.03068 0.10272 0.03390 -0.07920 63 2PX 0.04504 -0.09365 -0.17529 -0.07303 0.14360 64 2PY 0.01762 -0.03699 -0.08588 -0.01904 0.05942 65 2PZ -0.03492 0.07360 0.14840 0.04732 -0.09823 66 3S 0.01228 0.01863 0.10430 0.05473 -0.08416 67 3PX 0.00393 -0.02715 -0.08326 -0.03791 0.09197 68 3PY 0.00327 -0.00178 -0.03997 0.01384 0.03709 69 3PZ -0.00944 0.03091 0.08450 0.01825 -0.04111 70 4XX -0.00242 0.00464 -0.00721 0.00210 -0.00781 71 4YY 0.00136 -0.00339 -0.00279 -0.00749 0.00401 72 4ZZ -0.00098 0.00078 0.00344 0.00204 0.00750 73 4XY -0.00232 0.00440 0.00252 -0.00531 -0.00552 74 4XZ 0.00419 -0.00794 -0.00756 -0.00563 0.00015 75 4YZ 0.00184 -0.00329 -0.00440 0.00661 0.00088 76 6 C 1S -0.00233 0.00546 0.00309 0.00813 -0.00702 77 2S 0.00507 -0.00970 -0.01202 -0.01463 0.01872 78 2PX -0.00155 0.00995 0.00409 0.00036 -0.00821 79 2PY -0.00758 0.02268 0.01674 0.02936 -0.02582 80 2PZ 0.00587 -0.01605 -0.01698 -0.01475 0.01712 81 3S -0.00038 -0.02353 0.00990 -0.06484 0.03709 82 3PX 0.00124 0.00745 0.00397 -0.00490 -0.01652 83 3PY -0.00188 0.01215 0.00006 0.03472 -0.03114 84 3PZ 0.00332 -0.01570 -0.00589 -0.02113 0.00351 85 4XX 0.00025 -0.00117 -0.00111 -0.00096 0.00287 86 4YY -0.00036 0.00053 0.00043 0.00108 -0.00102 87 4ZZ -0.00074 0.00157 0.00195 0.00104 -0.00251 88 4XY -0.00097 0.00221 0.00533 0.00329 -0.00433 89 4XZ 0.00011 0.00006 -0.00088 -0.00045 0.00108 90 4YZ 0.00058 -0.00094 -0.00320 -0.00176 0.00263 91 7 C 1S -0.00508 0.00592 -0.00250 0.00777 -0.00372 92 2S 0.00614 -0.02421 0.00869 -0.02401 0.01529 93 2PX 0.00100 -0.00289 -0.04112 -0.01240 0.00379 94 2PY -0.00854 0.02956 -0.01378 0.01414 -0.02664 95 2PZ 0.00374 -0.00738 0.00464 -0.02723 -0.03745 96 3S 0.02630 -0.01032 0.00622 -0.01696 -0.01264 97 3PX 0.00141 0.00188 -0.03162 -0.00646 -0.00581 98 3PY -0.01153 0.00447 -0.00086 -0.00786 0.02314 99 3PZ 0.00488 0.00073 -0.00662 -0.01138 -0.03039 100 4XX -0.00041 -0.00052 -0.00046 -0.00086 0.00147 101 4YY -0.00111 0.00063 0.00042 0.00168 0.00074 102 4ZZ -0.00039 -0.00045 0.00061 -0.00187 -0.00150 103 4XY 0.00017 -0.00041 0.00104 -0.00046 0.00011 104 4XZ -0.00001 0.00008 -0.00147 -0.00024 -0.00055 105 4YZ 0.00014 -0.00036 -0.00012 -0.00062 0.00162 106 8 C 1S -0.00204 0.00517 -0.00574 0.00678 -0.00682 107 2S 0.00459 -0.01049 0.01565 -0.01032 0.01649 108 2PX 0.00515 -0.02106 0.01883 -0.00526 0.01835 109 2PY -0.00590 0.01612 -0.02831 0.01669 -0.02111 110 2PZ 0.00496 -0.01834 0.02125 -0.00812 0.01736 111 3S -0.00241 -0.01960 0.01852 -0.06257 0.04759 112 3PX 0.00124 -0.01403 0.01327 -0.00662 0.02365 113 3PY -0.00402 0.01213 -0.02907 0.02786 -0.02685 114 3PZ 0.00232 -0.01296 0.02288 -0.01618 0.01029 115 4XX -0.00047 0.00066 -0.00229 0.00028 -0.00069 116 4YY 0.00037 -0.00128 0.00309 0.00019 0.00237 117 4ZZ -0.00068 0.00162 -0.00240 0.00038 -0.00271 118 4XY 0.00110 -0.00268 0.00551 -0.00057 0.00466 119 4XZ -0.00029 0.00024 -0.00215 0.00002 -0.00179 120 4YZ 0.00055 -0.00103 0.00298 -0.00047 0.00206 121 9 C 1S 0.01044 -0.01803 0.05086 0.00230 0.03776 122 2S -0.01969 0.02961 -0.09980 -0.00813 -0.07569 123 2PX -0.05128 0.10901 -0.20726 -0.01798 -0.15991 124 2PY -0.00523 0.00844 -0.00910 0.01141 -0.00869 125 2PZ -0.03471 0.07348 -0.15237 -0.01334 -0.10382 126 3S 0.01493 0.00617 -0.12524 0.01579 -0.10516 127 3PX -0.00832 0.03184 -0.10356 -0.01632 -0.08045 128 3PY 0.00023 0.00699 -0.00788 0.01648 -0.00811 129 3PZ -0.00574 0.01839 -0.07375 -0.01325 -0.04532 130 4XX -0.00342 0.00635 0.00206 -0.00090 -0.01018 131 4YY 0.00223 -0.00480 0.00666 -0.00015 0.00631 132 4ZZ -0.00084 0.00090 -0.00228 0.00079 0.00827 133 4XY 0.00006 0.00033 -0.00052 0.00786 -0.00169 134 4XZ -0.00483 0.00943 -0.00974 -0.00153 -0.00198 135 4YZ -0.00007 0.00044 -0.00214 0.00754 0.00116 136 10 H 1S 0.00752 -0.01906 0.01488 0.01544 0.02968 137 2S 0.00996 -0.02215 0.02691 0.03347 0.06668 138 11 H 1S 0.00830 -0.02123 0.03179 0.00634 0.00200 139 2S 0.01107 -0.02393 0.06576 0.01061 -0.00167 140 12 H 1S -0.00295 0.01085 -0.01762 0.00137 -0.00970 141 2S -0.00431 0.01250 -0.02601 0.00830 -0.01159 142 13 H 1S -0.00257 0.01017 -0.01297 0.00025 -0.01430 143 2S -0.00344 0.01169 -0.01420 0.00383 -0.02961 144 14 H 1S -0.00280 0.00921 -0.00053 0.00688 -0.00385 145 2S -0.00191 0.01188 -0.00606 0.00869 -0.01827 146 15 C 1S 0.00102 -0.00290 -0.00496 -0.00217 0.00278 147 2S -0.00248 0.00741 0.01532 0.00769 -0.00634 148 2PX 0.00037 -0.00608 -0.00484 -0.00728 0.00388 149 2PY 0.00230 -0.00924 -0.01403 -0.00611 0.00691 150 2PZ 0.00144 -0.00341 -0.01052 -0.00671 0.00955 151 3S -0.00470 0.01197 0.01732 0.02142 -0.00591 152 3PX 0.00165 -0.00443 -0.00438 -0.00562 -0.00434 153 3PY 0.00030 -0.00036 -0.00180 0.00167 0.00258 154 3PZ 0.00120 -0.00093 -0.00963 -0.00508 0.00227 155 4XX 0.00013 0.00005 -0.00060 0.00066 -0.00017 156 4YY 0.00036 -0.00083 -0.00061 -0.00066 0.00145 157 4ZZ 0.00004 0.00051 0.00049 0.00077 -0.00047 158 4XY 0.00029 -0.00021 -0.00099 -0.00077 0.00087 159 4XZ -0.00003 0.00035 0.00021 0.00050 -0.00027 160 4YZ -0.00030 0.00037 0.00121 0.00044 -0.00079 161 16 O 1S 0.00021 -0.00085 -0.00257 -0.00157 0.00082 162 2S -0.00116 0.00289 0.00806 0.00491 -0.00384 163 2PX 0.00177 -0.00931 -0.01052 -0.00350 0.00469 164 2PY 0.00573 -0.01108 -0.02995 -0.01119 0.01557 165 2PZ 0.00587 -0.00137 -0.01712 -0.00755 0.01276 166 3S 0.00064 0.00157 0.01789 0.01173 0.00223 167 3PX 0.00159 -0.00735 -0.00969 -0.00308 0.00046 168 3PY 0.00305 -0.00649 -0.02453 -0.01032 0.01194 169 3PZ 0.00409 -0.00085 -0.01260 -0.00384 0.00661 170 4XX -0.00010 0.00044 0.00019 0.00004 -0.00039 171 4YY -0.00011 -0.00006 -0.00024 0.00001 0.00001 172 4ZZ -0.00022 0.00011 0.00083 0.00060 -0.00067 173 4XY 0.00032 -0.00046 -0.00127 -0.00043 -0.00014 174 4XZ -0.00026 0.00014 0.00063 -0.00011 -0.00007 175 4YZ -0.00004 -0.00015 -0.00076 -0.00006 0.00035 176 17 C 1S -0.00286 0.00570 0.01253 0.00321 -0.00022 177 2S 0.00542 -0.01225 -0.03092 -0.00961 -0.00083 178 2PX -0.00901 0.02204 0.03292 0.00943 0.00725 179 2PY -0.00217 0.00739 0.01331 -0.00103 -0.00482 180 2PZ -0.00255 0.00634 0.03216 0.00887 -0.01087 181 3S 0.00897 -0.01958 -0.05469 -0.01015 -0.02184 182 3PX -0.00664 0.01527 0.02387 0.00328 0.01553 183 3PY -0.00136 -0.00127 -0.00843 -0.01315 0.00003 184 3PZ 0.00047 -0.00102 0.01860 0.00266 0.00854 185 4XX -0.00180 0.00292 0.00858 0.00137 -0.00341 186 4YY -0.00081 0.00162 0.00263 0.00129 -0.00189 187 4ZZ 0.00077 -0.00241 -0.00663 -0.00228 0.00387 188 4XY -0.00038 0.00065 0.00328 0.00096 -0.00143 189 4XZ 0.00062 -0.00152 -0.00330 -0.00223 0.00104 190 4YZ 0.00012 0.00018 -0.00026 0.00039 0.00049 191 18 O 1S -0.00045 0.00067 0.00229 -0.00098 0.00095 192 2S 0.00115 -0.00151 -0.00379 0.00468 -0.00221 193 2PX -0.00925 0.02417 0.03933 -0.00262 -0.00567 194 2PY 0.00032 -0.00204 -0.00642 -0.01492 0.01080 195 2PZ 0.00505 -0.01393 -0.02696 -0.01116 0.00852 196 3S -0.00005 -0.00191 -0.01293 -0.00479 -0.00515 197 3PX -0.00529 0.01450 0.02721 -0.00041 -0.00698 198 3PY 0.00081 -0.00220 -0.00803 -0.01053 0.00595 199 3PZ 0.00385 -0.00958 -0.02007 -0.00638 0.00676 200 4XX 0.00023 -0.00061 -0.00051 0.00029 0.00049 201 4YY 0.00010 0.00024 0.00094 0.00043 0.00012 202 4ZZ -0.00020 0.00078 0.00107 0.00148 -0.00008 203 4XY -0.00052 0.00110 0.00210 -0.00024 -0.00008 204 4XZ 0.00033 -0.00078 -0.00138 0.00012 -0.00018 205 4YZ 0.00011 -0.00047 -0.00101 -0.00025 0.00005 206 19 O 1S -0.00020 0.00071 0.00045 0.00098 -0.00084 207 2S 0.00029 -0.00137 -0.00036 -0.00085 0.00243 208 2PX -0.00143 0.00365 0.00201 0.00250 -0.00620 209 2PY -0.00114 0.00536 0.00517 0.00473 -0.00514 210 2PZ -0.00355 0.00444 0.01642 0.00775 -0.01108 211 3S 0.00159 -0.00419 -0.00440 -0.01160 0.00246 212 3PX -0.00143 0.00375 0.00216 0.00356 -0.00408 213 3PY -0.00108 0.00401 0.00416 0.00649 -0.00372 214 3PZ -0.00286 0.00370 0.01415 0.00689 -0.00895 215 4XX -0.00005 0.00024 0.00009 0.00066 0.00002 216 4YY -0.00010 0.00002 0.00040 0.00026 -0.00001 217 4ZZ -0.00013 0.00027 0.00046 0.00073 -0.00009 218 4XY 0.00009 -0.00007 0.00002 0.00012 0.00006 219 4XZ -0.00002 0.00003 -0.00003 0.00007 0.00005 220 4YZ 0.00016 -0.00013 -0.00047 -0.00014 0.00015 221 20 H 1S -0.00315 0.00934 0.01192 0.00486 -0.01427 222 2S -0.00388 0.01000 0.01431 0.00830 -0.03108 223 21 H 1S 0.00724 -0.01887 -0.01475 0.01179 0.02684 224 2S 0.00830 -0.01750 -0.02753 0.02940 0.06068 225 22 H 1S -0.05502 0.10295 0.05207 -0.23674 0.11493 226 2S -0.01293 0.02250 0.04252 -0.20083 0.10056 227 23 H 1S 0.01163 -0.02408 0.00416 -0.02117 -0.04803 228 2S 0.01459 -0.02369 0.00640 -0.03436 -0.09166 229 24 H 1S 0.00214 -0.00436 0.00705 -0.00573 -0.00502 230 2S 0.00324 -0.00709 0.01535 -0.01267 -0.01262 231 25 H 1S 0.00189 -0.00438 -0.00391 -0.00866 -0.00656 232 2S 0.00307 -0.00706 -0.00811 -0.01910 -0.01517 233 26 H 1S -0.00224 0.00303 -0.00139 0.00639 0.00411 234 2S -0.00068 0.00158 -0.00037 0.00095 -0.00605 51 52 53 54 55 51 3S 0.29788 52 3PX -0.00440 0.07111 53 3PY -0.00059 0.00202 0.08443 54 3PZ 0.01954 0.00209 0.00771 0.06512 55 4XX -0.00722 -0.00044 0.00050 -0.00448 0.00131 56 4YY 0.00223 0.00118 -0.00330 0.00483 -0.00064 57 4ZZ -0.00477 -0.00031 0.00161 0.00014 -0.00001 58 4XY -0.00298 0.00124 0.00143 -0.00242 0.00031 59 4XZ 0.00124 -0.00512 -0.00270 -0.00044 -0.00009 60 4YZ -0.00370 -0.00244 0.00727 0.00196 -0.00002 61 5 C 1S 0.00607 -0.00556 -0.00024 0.00962 -0.00309 62 2S 0.00539 0.02372 0.00715 -0.02330 0.00537 63 2PX -0.06946 -0.07508 -0.02822 0.05199 0.00305 64 2PY -0.03190 -0.04412 -0.00922 0.03621 -0.00448 65 2PZ 0.05294 0.05577 0.00536 -0.03585 0.00756 66 3S -0.02091 0.00271 -0.00992 -0.02068 0.00855 67 3PX -0.00856 -0.03701 -0.01408 0.03176 0.00021 68 3PY 0.00176 -0.02501 -0.00265 0.01915 -0.00248 69 3PZ 0.01794 0.02494 -0.00252 -0.01545 0.00374 70 4XX 0.00446 -0.00304 0.00061 -0.00336 0.00035 71 4YY -0.00316 -0.00108 -0.00269 0.00165 -0.00038 72 4ZZ 0.00137 0.00240 0.00117 0.00297 -0.00022 73 4XY 0.00288 0.00132 -0.00337 -0.00214 0.00020 74 4XZ -0.00760 -0.00301 -0.00215 0.00045 0.00033 75 4YZ -0.00338 -0.00206 0.00292 -0.00027 0.00024 76 6 C 1S 0.00338 0.00265 0.00163 -0.00519 0.00053 77 2S -0.00935 -0.00828 -0.00635 0.01219 -0.00131 78 2PX -0.01716 0.01130 -0.01150 0.00375 0.00075 79 2PY 0.01696 0.01548 0.00788 -0.02066 0.00502 80 2PZ -0.02345 -0.02472 0.00212 0.00817 -0.00234 81 3S -0.02627 0.00913 -0.01438 0.01790 -0.00174 82 3PX -0.00436 0.01141 -0.00452 -0.00507 0.00060 83 3PY 0.00179 -0.00075 0.00608 -0.01637 0.00373 84 3PZ -0.02262 -0.01003 -0.00247 -0.00017 -0.00087 85 4XX 0.00027 -0.00032 0.00081 0.00072 0.00001 86 4YY -0.00050 -0.00024 0.00026 0.00029 -0.00005 87 4ZZ 0.00115 0.00128 -0.00063 -0.00114 0.00020 88 4XY 0.00112 0.00280 0.00167 -0.00178 0.00007 89 4XZ -0.00044 -0.00044 -0.00054 0.00098 0.00005 90 4YZ -0.00047 -0.00075 -0.00065 0.00048 -0.00008 91 7 C 1S 0.02816 -0.00325 0.01040 -0.00319 -0.00047 92 2S -0.01374 0.00276 0.00003 -0.00012 -0.00043 93 2PX 0.00291 -0.02815 -0.00940 -0.00298 0.00005 94 2PY 0.00122 -0.00018 -0.02829 0.00308 0.00161 95 2PZ -0.03117 0.00266 -0.02071 -0.02229 0.00063 96 3S -0.00524 0.00884 0.00011 -0.01117 -0.00081 97 3PX 0.00879 -0.01520 -0.00571 -0.00434 0.00038 98 3PY -0.00107 0.00272 -0.01321 0.01725 0.00003 99 3PZ -0.01378 -0.00213 -0.01092 -0.01430 -0.00017 100 4XX -0.00050 -0.00064 -0.00038 0.00030 0.00002 101 4YY 0.00066 0.00061 0.00057 0.00127 -0.00006 102 4ZZ -0.00181 0.00018 -0.00190 -0.00079 0.00013 103 4XY -0.00006 0.00101 0.00042 -0.00030 0.00011 104 4XZ -0.00029 -0.00116 -0.00015 -0.00033 -0.00012 105 4YZ 0.00083 -0.00045 0.00071 0.00130 -0.00002 106 8 C 1S 0.00065 -0.00394 0.00224 -0.00320 0.00005 107 2S -0.00032 0.00937 -0.00207 0.00771 -0.00049 108 2PX 0.00476 0.01126 0.03165 0.01298 -0.00056 109 2PY 0.01136 -0.01996 0.00940 -0.01794 -0.00032 110 2PZ -0.00132 0.02556 0.01370 -0.00443 -0.00084 111 3S 0.00082 0.00848 -0.02040 0.01855 -0.00159 112 3PX 0.00014 0.00716 0.01370 0.01325 -0.00026 113 3PY 0.00670 -0.01475 0.01141 -0.01375 0.00062 114 3PZ -0.00513 0.01692 -0.00020 -0.00175 -0.00020 115 4XX 0.00113 -0.00129 0.00009 -0.00120 -0.00015 116 4YY -0.00135 0.00235 0.00064 0.00134 -0.00002 117 4ZZ 0.00014 -0.00196 -0.00091 -0.00046 0.00027 118 4XY -0.00140 0.00200 0.00108 0.00186 0.00005 119 4XZ 0.00044 -0.00076 0.00089 -0.00076 0.00002 120 4YZ -0.00123 0.00113 -0.00045 0.00031 -0.00027 121 9 C 1S 0.00188 0.01017 -0.00477 0.00830 -0.00364 122 2S 0.00616 -0.02776 0.00315 -0.02145 0.00628 123 2PX 0.09129 -0.08390 -0.01769 -0.06546 -0.00366 124 2PY 0.03290 0.00261 0.00951 0.00116 -0.00003 125 2PZ 0.06258 -0.07471 -0.00649 -0.03877 0.00919 126 3S -0.02267 -0.03193 0.01181 -0.02891 0.00765 127 3PX 0.02190 -0.04019 -0.01179 -0.03187 -0.00112 128 3PY 0.01441 0.00031 0.00592 0.00040 0.00018 129 3PZ 0.01503 -0.03336 -0.00346 -0.01661 0.00468 130 4XX 0.00448 0.00007 -0.00120 -0.00394 0.00043 131 4YY -0.00309 0.00320 0.00059 0.00210 -0.00036 132 4ZZ 0.00099 -0.00113 0.00013 0.00338 -0.00030 133 4XY 0.00019 -0.00048 0.00411 -0.00030 0.00032 134 4XZ 0.00938 -0.00403 -0.00148 -0.00091 -0.00043 135 4YZ -0.00062 -0.00034 0.00305 0.00001 -0.00027 136 10 H 1S -0.03211 0.01495 0.00766 0.01057 -0.00300 137 2S -0.02556 0.01763 0.01539 0.02283 -0.00461 138 11 H 1S -0.03095 0.01101 0.00949 0.00552 0.00784 139 2S -0.03021 0.02179 0.00890 0.00276 0.00607 140 12 H 1S 0.00260 -0.00717 -0.01441 -0.01139 -0.00057 141 2S 0.00485 -0.01090 -0.00896 -0.01120 -0.00084 142 13 H 1S 0.00044 -0.01531 -0.01087 0.00228 0.00120 143 2S -0.00305 -0.01463 -0.01006 -0.00500 0.00236 144 14 H 1S 0.00072 0.00428 -0.01044 0.00576 0.00015 145 2S 0.00085 0.00016 -0.01111 -0.00172 -0.00022 146 15 C 1S 0.00019 -0.00275 0.00109 0.00149 0.00003 147 2S 0.00167 0.00799 0.00156 -0.00253 0.00012 148 2PX 0.01717 -0.00468 0.00168 0.00017 -0.00108 149 2PY 0.00140 -0.00672 0.00523 0.00438 -0.00047 150 2PZ 0.00319 -0.01050 -0.00377 0.00326 -0.00067 151 3S 0.01016 0.00692 0.00897 -0.00161 0.00029 152 3PX -0.00034 -0.00034 0.00023 -0.00201 0.00055 153 3PY -0.00368 -0.00317 0.00090 0.00191 0.00045 154 3PZ 0.00116 -0.00403 -0.00204 0.00074 0.00002 155 4XX 0.00106 -0.00015 0.00052 0.00006 0.00014 156 4YY 0.00088 0.00055 0.00029 0.00040 -0.00024 157 4ZZ -0.00198 -0.00098 -0.00076 -0.00012 0.00012 158 4XY -0.00209 -0.00086 0.00029 0.00070 0.00005 159 4XZ -0.00085 -0.00045 -0.00064 0.00011 0.00014 160 4YZ 0.00279 0.00299 0.00138 -0.00012 0.00009 161 16 O 1S 0.00154 -0.00198 -0.00150 0.00106 0.00020 162 2S -0.00108 0.00490 0.00272 -0.00501 -0.00041 163 2PX 0.00536 0.00782 0.01387 0.01183 0.00152 164 2PY -0.03119 -0.03601 -0.01591 0.02085 0.00228 165 2PZ -0.07062 -0.04000 -0.02200 0.01212 0.00136 166 3S -0.01250 0.01518 0.01337 0.00113 -0.00091 167 3PX 0.00467 0.00502 0.00811 0.00661 0.00131 168 3PY -0.01959 -0.02916 -0.01556 0.01233 0.00144 169 3PZ -0.04771 -0.02848 -0.01368 0.00711 0.00102 170 4XX -0.00164 -0.00129 -0.00143 -0.00047 0.00004 171 4YY 0.00175 -0.00042 0.00021 -0.00038 -0.00000 172 4ZZ 0.00169 0.00122 0.00065 -0.00015 -0.00001 173 4XY -0.00016 0.00009 -0.00024 -0.00054 0.00009 174 4XZ 0.00297 0.00155 0.00060 -0.00047 -0.00010 175 4YZ 0.00143 0.00048 0.00060 -0.00035 -0.00002 176 17 C 1S 0.00399 0.01167 0.00250 -0.00002 -0.00203 177 2S -0.00952 -0.02338 -0.00926 -0.00004 0.00421 178 2PX 0.04494 0.00602 0.00463 -0.00726 -0.00807 179 2PY -0.00128 0.00994 -0.01419 -0.01055 -0.00103 180 2PZ -0.01256 0.02245 0.00086 0.01140 -0.00216 181 3S -0.01412 -0.02793 -0.00758 -0.00896 0.00411 182 3PX 0.02291 -0.00249 -0.00532 0.00120 -0.00177 183 3PY -0.00241 -0.00566 -0.01256 0.00206 0.00019 184 3PZ -0.01168 0.01012 -0.00327 0.00770 0.00001 185 4XX 0.00263 0.00106 -0.00141 -0.00136 0.00031 186 4YY -0.00089 0.00238 0.00219 -0.00190 -0.00043 187 4ZZ -0.00055 -0.00081 -0.00063 0.00216 -0.00009 188 4XY 0.00075 0.00396 0.00146 -0.00101 0.00017 189 4XZ -0.00240 -0.00412 -0.00295 0.00102 0.00026 190 4YZ -0.00198 -0.00296 -0.00174 0.00004 0.00032 191 18 O 1S 0.00428 -0.00365 -0.00364 0.00019 0.00034 192 2S -0.00865 0.00727 0.01005 0.00059 -0.00068 193 2PX 0.03204 -0.03194 -0.04148 -0.01880 0.00060 194 2PY 0.01648 -0.02325 -0.03639 0.01294 0.00011 195 2PZ -0.01833 0.01719 -0.01036 0.00685 0.00251 196 3S -0.01162 0.01183 0.00871 -0.00261 -0.00093 197 3PX 0.01795 -0.02233 -0.02763 -0.01233 0.00097 198 3PY 0.01083 -0.01532 -0.02407 0.00701 0.00041 199 3PZ -0.00924 0.00950 -0.00546 0.00525 0.00163 200 4XX -0.00122 0.00130 0.00118 0.00082 0.00012 201 4YY 0.00081 -0.00066 -0.00173 0.00030 -0.00001 202 4ZZ 0.00150 -0.00158 0.00079 -0.00070 -0.00008 203 4XY 0.00145 -0.00033 -0.00060 -0.00089 -0.00009 204 4XZ -0.00117 0.00012 0.00127 0.00046 0.00009 205 4YZ -0.00138 0.00102 0.00053 0.00004 0.00007 206 19 O 1S -0.00021 0.00028 0.00011 -0.00052 0.00012 207 2S 0.00087 -0.00036 0.00074 0.00146 -0.00028 208 2PX 0.00854 0.00530 0.01505 -0.00686 0.00061 209 2PY -0.00122 0.00197 -0.00533 -0.00261 0.00110 210 2PZ 0.03441 0.03149 0.01680 -0.00573 0.00077 211 3S -0.00074 -0.00029 -0.00651 0.00018 -0.00070 212 3PX 0.00519 0.00348 0.01065 -0.00468 0.00043 213 3PY 0.00005 0.00122 -0.00107 -0.00133 0.00085 214 3PZ 0.02468 0.02412 0.01238 -0.00453 0.00059 215 4XX -0.00003 -0.00007 0.00016 0.00011 0.00004 216 4YY 0.00019 0.00012 0.00066 0.00003 -0.00003 217 4ZZ 0.00023 0.00018 0.00038 -0.00004 0.00003 218 4XY -0.00082 -0.00004 -0.00056 0.00030 0.00002 219 4XZ -0.00012 -0.00015 -0.00001 0.00004 0.00002 220 4YZ -0.00174 -0.00116 -0.00066 0.00014 -0.00001 221 20 H 1S 0.01069 0.01403 -0.00553 -0.00529 0.00143 222 2S 0.00533 0.01047 -0.00624 -0.01429 0.00200 223 21 H 1S -0.01735 -0.00733 0.01024 0.00578 0.00013 224 2S -0.01051 -0.00984 0.01930 0.01710 -0.00212 225 22 H 1S 0.11534 0.01987 -0.09724 0.04168 -0.00765 226 2S 0.03826 0.02066 -0.07451 0.03510 -0.00625 227 23 H 1S -0.05627 0.00188 -0.01570 -0.02057 0.00167 228 2S -0.05431 0.00216 -0.02221 -0.03551 0.00352 229 24 H 1S -0.01938 0.00155 -0.00622 -0.00944 0.00041 230 2S -0.02106 0.00709 -0.01019 -0.01196 0.00091 231 25 H 1S -0.01387 0.00049 -0.00685 -0.01236 -0.00034 232 2S -0.01613 -0.00135 -0.01148 -0.01707 -0.00039 233 26 H 1S 0.01635 -0.00109 0.00691 0.00839 -0.00038 234 2S 0.00714 -0.00034 0.00136 0.00254 -0.00007 56 57 58 59 60 56 4YY 0.00133 57 4ZZ -0.00013 0.00079 58 4XY -0.00032 0.00004 0.00077 59 4XZ 0.00009 -0.00004 -0.00002 0.00131 60 4YZ -0.00021 0.00034 0.00011 -0.00004 0.00145 61 5 C 1S 0.00182 -0.00064 -0.00230 0.00495 0.00187 62 2S -0.00432 0.00027 0.00467 -0.00946 -0.00389 63 2PX 0.00356 -0.00140 -0.00485 0.00906 0.00637 64 2PY 0.00666 -0.00119 0.00388 0.00626 -0.00465 65 2PZ -0.00444 -0.00755 0.00587 -0.00161 -0.00234 66 3S -0.00577 -0.00140 0.00553 -0.01161 -0.00309 67 3PX 0.00304 -0.00144 -0.00317 0.00422 0.00292 68 3PY 0.00300 -0.00083 0.00227 0.00323 -0.00069 69 3PZ -0.00139 -0.00408 0.00314 -0.00149 -0.00138 70 4XX -0.00048 -0.00018 -0.00001 0.00043 0.00012 71 4YY 0.00042 0.00020 -0.00022 0.00004 -0.00033 72 4ZZ 0.00019 0.00006 -0.00015 -0.00010 0.00033 73 4XY -0.00010 -0.00021 0.00008 0.00016 -0.00034 74 4XZ 0.00005 -0.00008 -0.00004 0.00048 -0.00008 75 4YZ -0.00034 0.00025 -0.00012 -0.00013 0.00073 76 6 C 1S -0.00100 -0.00034 -0.00038 0.00044 0.00116 77 2S 0.00191 0.00072 0.00017 -0.00096 -0.00231 78 2PX 0.00057 0.00031 0.00076 0.00171 0.00049 79 2PY -0.00485 -0.00163 -0.00354 -0.00007 0.00654 80 2PZ 0.00238 0.00075 0.00086 -0.00166 -0.00309 81 3S 0.00431 0.00049 -0.00072 -0.00130 -0.00373 82 3PX 0.00031 -0.00048 0.00020 0.00126 -0.00015 83 3PY -0.00334 -0.00104 -0.00073 -0.00052 0.00372 84 3PZ 0.00167 0.00032 0.00068 -0.00039 -0.00140 85 4XX -0.00002 -0.00003 -0.00021 0.00005 0.00016 86 4YY -0.00007 0.00020 0.00001 -0.00034 -0.00015 87 4ZZ -0.00012 -0.00015 0.00016 0.00019 0.00010 88 4XY -0.00022 -0.00001 0.00003 -0.00016 0.00006 89 4XZ 0.00006 -0.00001 -0.00002 0.00001 -0.00001 90 4YZ 0.00002 0.00010 -0.00029 0.00018 0.00027 91 7 C 1S -0.00083 -0.00071 0.00013 -0.00008 0.00041 92 2S 0.00043 -0.00016 -0.00014 0.00007 -0.00071 93 2PX -0.00010 0.00011 -0.00186 -0.00012 -0.00021 94 2PY -0.00157 0.00123 0.00034 -0.00021 0.00048 95 2PZ -0.00090 0.00034 0.00035 0.00032 -0.00236 96 3S -0.00149 0.00065 -0.00030 0.00020 -0.00136 97 3PX -0.00063 -0.00028 -0.00173 0.00027 -0.00028 98 3PY 0.00000 0.00140 -0.00034 -0.00025 0.00006 99 3PZ -0.00143 0.00112 0.00029 0.00073 -0.00171 100 4XX 0.00004 0.00004 0.00006 -0.00007 0.00012 101 4YY 0.00004 0.00009 -0.00010 0.00010 -0.00017 102 4ZZ 0.00009 -0.00010 0.00004 -0.00003 0.00006 103 4XY -0.00008 -0.00003 -0.00013 0.00015 0.00010 104 4XZ 0.00017 -0.00003 0.00033 0.00037 0.00009 105 4YZ -0.00018 0.00015 0.00013 0.00009 -0.00003 106 8 C 1S -0.00037 -0.00028 0.00093 -0.00102 0.00098 107 2S 0.00096 0.00055 -0.00177 0.00204 -0.00198 108 2PX 0.00001 -0.00041 -0.00193 0.00242 -0.00206 109 2PY -0.00056 -0.00138 0.00627 -0.00163 0.00569 110 2PZ 0.00035 0.00047 -0.00272 0.00329 -0.00250 111 3S 0.00314 0.00009 -0.00238 0.00334 -0.00344 112 3PX 0.00034 -0.00011 -0.00095 0.00103 -0.00088 113 3PY -0.00150 -0.00034 0.00355 0.00024 0.00373 114 3PZ 0.00052 0.00007 -0.00170 0.00061 -0.00162 115 4XX -0.00001 0.00006 0.00018 0.00004 0.00016 116 4YY 0.00006 0.00014 -0.00001 0.00022 0.00000 117 4ZZ -0.00013 -0.00017 0.00003 -0.00027 0.00003 118 4XY 0.00018 -0.00017 0.00006 -0.00031 -0.00000 119 4XZ -0.00011 -0.00002 -0.00009 0.00016 -0.00008 120 4YZ 0.00016 0.00011 0.00011 -0.00024 0.00015 121 9 C 1S 0.00246 -0.00074 -0.00053 -0.00519 -0.00036 122 2S -0.00530 0.00068 0.00098 0.01005 0.00035 123 2PX -0.00598 0.00300 -0.00074 0.01067 0.00063 124 2PY -0.00106 -0.00071 -0.00824 0.00158 -0.00740 125 2PZ -0.00578 -0.00746 0.00142 0.00197 -0.00183 126 3S -0.00729 0.00120 0.00267 0.01202 0.00208 127 3PX -0.00326 0.00192 -0.00013 0.00554 0.00040 128 3PY -0.00114 0.00005 -0.00413 -0.00025 -0.00284 129 3PZ -0.00262 -0.00345 0.00046 0.00110 -0.00077 130 4XX -0.00037 -0.00031 0.00036 -0.00025 -0.00031 131 4YY 0.00035 0.00019 -0.00017 -0.00002 -0.00005 132 4ZZ 0.00029 0.00007 -0.00008 -0.00009 0.00037 133 4XY -0.00030 -0.00013 0.00021 -0.00019 0.00028 134 4XZ -0.00003 -0.00001 -0.00035 0.00040 -0.00012 135 4YZ -0.00011 0.00034 0.00021 0.00001 0.00075 136 10 H 1S 0.00095 0.00460 0.00274 0.00249 0.00558 137 2S 0.00221 0.00416 0.00103 -0.00100 0.00611 138 11 H 1S -0.00140 -0.00372 0.00350 -0.00220 0.00036 139 2S -0.00107 -0.00311 0.00311 -0.00524 -0.00045 140 12 H 1S 0.00013 0.00063 0.00123 0.00014 0.00142 141 2S -0.00038 0.00099 0.00131 -0.00010 0.00194 142 13 H 1S -0.00041 -0.00056 0.00079 -0.00168 0.00043 143 2S -0.00138 -0.00104 0.00064 -0.00291 0.00038 144 14 H 1S 0.00022 0.00039 -0.00009 0.00002 -0.00021 145 2S 0.00095 -0.00022 -0.00033 0.00050 -0.00116 146 15 C 1S 0.00037 -0.00007 0.00032 0.00018 -0.00041 147 2S -0.00061 0.00032 -0.00083 -0.00101 0.00090 148 2PX 0.00051 -0.00041 0.00100 0.00030 -0.00128 149 2PY 0.00035 -0.00068 0.00088 0.00065 -0.00093 150 2PZ 0.00066 0.00050 -0.00012 0.00009 -0.00044 151 3S -0.00163 0.00073 -0.00005 0.00030 0.00212 152 3PX 0.00030 -0.00075 0.00068 0.00051 -0.00018 153 3PY 0.00003 -0.00024 -0.00010 -0.00015 0.00006 154 3PZ 0.00039 -0.00002 0.00019 0.00090 0.00012 155 4XX -0.00011 -0.00009 -0.00004 -0.00008 0.00008 156 4YY 0.00018 0.00006 0.00008 -0.00003 -0.00023 157 4ZZ -0.00003 0.00002 -0.00003 0.00004 0.00011 158 4XY 0.00013 0.00000 0.00002 0.00004 -0.00000 159 4XZ -0.00010 0.00000 -0.00009 -0.00003 0.00009 160 4YZ -0.00007 -0.00010 0.00003 -0.00003 0.00007 161 16 O 1S 0.00011 -0.00015 0.00019 0.00027 0.00010 162 2S -0.00045 0.00048 -0.00036 -0.00062 -0.00008 163 2PX -0.00009 -0.00253 0.00189 0.00121 -0.00013 164 2PY 0.00013 -0.00137 0.00060 0.00185 0.00043 165 2PZ 0.00098 0.00135 -0.00116 0.00106 0.00068 166 3S -0.00029 0.00068 -0.00134 -0.00270 -0.00107 167 3PX -0.00028 -0.00173 0.00153 0.00131 0.00016 168 3PY 0.00018 -0.00084 0.00033 0.00157 0.00036 169 3PZ 0.00058 0.00095 -0.00079 0.00078 0.00058 170 4XX 0.00001 0.00009 -0.00002 0.00005 0.00008 171 4YY -0.00000 -0.00003 0.00005 0.00005 0.00003 172 4ZZ -0.00006 -0.00005 0.00010 0.00003 0.00007 173 4XY -0.00002 -0.00003 0.00000 0.00007 -0.00001 174 4XZ -0.00001 -0.00002 -0.00002 -0.00008 -0.00004 175 4YZ 0.00000 -0.00002 0.00000 0.00005 0.00003 176 17 C 1S 0.00019 0.00060 -0.00025 -0.00110 -0.00043 177 2S -0.00087 -0.00173 0.00032 0.00211 0.00070 178 2PX 0.00254 0.00401 -0.00210 -0.00260 -0.00097 179 2PY 0.00015 0.00065 -0.00002 -0.00060 -0.00048 180 2PZ 0.00032 0.00122 0.00028 -0.00144 -0.00101 181 3S -0.00228 -0.00086 0.00131 0.00563 0.00201 182 3PX 0.00124 -0.00008 -0.00021 -0.00154 -0.00019 183 3PY 0.00029 -0.00023 0.00031 0.00070 -0.00028 184 3PZ 0.00026 -0.00017 0.00031 -0.00070 0.00006 185 4XX -0.00011 -0.00032 0.00040 -0.00029 -0.00022 186 4YY 0.00006 0.00040 -0.00024 -0.00022 -0.00007 187 4ZZ 0.00006 0.00003 -0.00015 0.00012 0.00014 188 4XY -0.00026 0.00000 -0.00013 -0.00029 0.00012 189 4XZ 0.00001 -0.00005 0.00002 0.00003 -0.00004 190 4YZ -0.00010 -0.00008 -0.00002 0.00001 0.00022 191 18 O 1S -0.00008 -0.00015 0.00006 0.00017 0.00009 192 2S 0.00019 0.00035 -0.00005 -0.00030 -0.00009 193 2PX 0.00026 -0.00147 0.00123 -0.00077 -0.00027 194 2PY 0.00019 -0.00061 -0.00004 0.00026 0.00016 195 2PZ -0.00168 -0.00142 -0.00025 0.00020 0.00133 196 3S 0.00041 0.00039 -0.00041 -0.00070 -0.00088 197 3PX -0.00012 -0.00112 0.00101 -0.00031 -0.00008 198 3PY -0.00009 -0.00056 -0.00013 0.00005 0.00010 199 3PZ -0.00119 -0.00087 -0.00024 0.00031 0.00112 200 4XX -0.00006 -0.00006 0.00002 0.00005 0.00005 201 4YY -0.00004 0.00000 0.00000 -0.00006 0.00005 202 4ZZ 0.00005 0.00005 0.00002 0.00001 0.00004 203 4XY 0.00005 0.00001 0.00000 -0.00007 -0.00006 204 4XZ -0.00002 -0.00001 -0.00003 0.00005 0.00002 205 4YZ -0.00005 -0.00002 0.00001 0.00003 0.00003 206 19 O 1S -0.00013 0.00001 -0.00005 -0.00004 0.00014 207 2S 0.00026 -0.00008 0.00019 0.00013 -0.00022 208 2PX -0.00027 0.00005 -0.00028 -0.00032 0.00103 209 2PY -0.00046 0.00014 -0.00048 -0.00006 0.00089 210 2PZ -0.00098 -0.00062 0.00009 -0.00091 0.00057 211 3S 0.00088 0.00002 -0.00004 0.00008 -0.00099 212 3PX -0.00032 0.00018 -0.00036 -0.00034 0.00086 213 3PY -0.00053 0.00001 -0.00018 0.00005 0.00081 214 3PZ -0.00083 -0.00045 -0.00000 -0.00087 0.00041 215 4XX -0.00004 0.00000 0.00001 0.00001 0.00005 216 4YY -0.00002 -0.00001 0.00002 -0.00001 0.00002 217 4ZZ -0.00003 0.00001 0.00002 0.00000 0.00005 218 4XY -0.00001 -0.00001 -0.00000 0.00001 -0.00000 219 4XZ -0.00001 -0.00000 -0.00001 -0.00000 0.00001 220 4YZ 0.00003 0.00001 0.00001 0.00005 -0.00001 221 20 H 1S -0.00096 -0.00061 0.00033 0.00112 0.00089 222 2S -0.00139 -0.00097 0.00143 0.00183 0.00119 223 21 H 1S -0.00161 0.00411 -0.00313 -0.00448 0.00389 224 2S 0.00029 0.00356 -0.00286 -0.00162 0.00577 225 22 H 1S 0.01056 -0.00417 -0.00520 0.00265 -0.01116 226 2S 0.01004 -0.00272 -0.00470 0.00234 -0.00961 227 23 H 1S -0.00513 0.00629 0.00178 -0.00038 0.00115 228 2S -0.00628 0.00439 0.00259 0.00021 -0.00154 229 24 H 1S 0.00030 -0.00039 -0.00127 -0.00189 -0.00053 230 2S 0.00031 -0.00062 -0.00174 -0.00292 -0.00104 231 25 H 1S 0.00103 -0.00037 0.00088 0.00195 0.00020 232 2S 0.00150 -0.00049 0.00147 0.00328 0.00014 233 26 H 1S -0.00031 -0.00010 0.00002 -0.00003 0.00010 234 2S -0.00075 0.00033 0.00020 0.00002 -0.00025 61 62 63 64 65 61 5 C 1S 2.05367 62 2S -0.05261 0.30682 63 2PX 0.00224 -0.01048 0.39204 64 2PY 0.00199 -0.00431 0.00547 0.40396 65 2PZ -0.00010 0.00240 -0.00696 0.00469 0.39743 66 3S -0.23217 0.33012 0.03187 0.01944 0.05949 67 3PX -0.00359 0.00001 0.19610 -0.00361 -0.01345 68 3PY -0.01357 0.00499 0.02030 0.17807 0.01533 69 3PZ -0.00667 0.00116 -0.00740 0.01238 0.19778 70 4XX -0.01486 -0.00540 0.00564 -0.00196 0.01247 71 4YY -0.01602 -0.00320 -0.00396 0.00674 -0.01323 72 4ZZ -0.01514 -0.00434 -0.00007 -0.00803 -0.00316 73 4XY 0.00006 -0.00007 0.00019 0.00067 0.00923 74 4XZ 0.00083 -0.00169 0.01316 0.00898 0.00464 75 4YZ -0.00189 0.00398 0.00867 -0.01525 -0.00725 76 6 C 1S 0.01055 -0.02154 0.01440 -0.05602 0.02133 77 2S -0.02154 0.03271 -0.02880 0.11064 -0.04471 78 2PX -0.00933 0.01860 0.00994 0.05009 -0.02268 79 2PY 0.05473 -0.10960 0.07491 -0.26596 0.13586 80 2PZ -0.02659 0.05095 -0.02684 0.10512 -0.04121 81 3S 0.02039 0.00449 -0.03532 0.11779 -0.03244 82 3PX 0.00228 0.00079 -0.00225 0.01500 -0.00671 83 3PY 0.00150 -0.01656 0.05249 -0.10608 0.08614 84 3PZ -0.00181 0.01696 -0.01187 0.03720 -0.02435 85 4XX 0.00156 -0.00410 0.00512 -0.00666 0.00194 86 4YY -0.00540 0.00895 -0.00402 0.00180 -0.00850 87 4ZZ 0.00103 -0.00288 0.00130 -0.00205 0.00766 88 4XY 0.00207 -0.00355 -0.00764 -0.00669 0.00389 89 4XZ -0.00110 0.00188 0.00243 0.00422 0.00042 90 4YZ 0.00361 -0.00706 0.00342 -0.00984 -0.00415 91 7 C 1S -0.00222 0.00510 -0.00476 0.00824 -0.00086 92 2S 0.00547 -0.00982 0.01937 -0.02232 0.00388 93 2PX 0.00677 -0.01902 0.01890 -0.03296 0.00345 94 2PY -0.00891 0.01775 -0.01717 0.02790 -0.01000 95 2PZ -0.00006 0.00414 -0.00702 0.00059 0.00379 96 3S 0.00131 -0.00824 -0.00792 -0.02915 -0.00899 97 3PX 0.00367 -0.01171 0.01730 -0.02796 -0.00350 98 3PY -0.00323 0.00850 0.00856 0.01326 -0.01827 99 3PZ -0.00361 0.00513 -0.01323 0.01559 -0.00344 100 4XX -0.00005 -0.00036 0.00118 -0.00097 0.00039 101 4YY -0.00100 0.00221 -0.00186 0.00534 -0.00237 102 4ZZ 0.00030 -0.00056 0.00164 -0.00246 0.00136 103 4XY 0.00129 -0.00241 0.00386 -0.00686 0.00213 104 4XZ -0.00007 -0.00017 0.00048 0.00259 -0.00262 105 4YZ 0.00028 -0.00069 0.00054 -0.00056 -0.00039 106 8 C 1S -0.00211 0.00440 -0.00815 0.00244 0.00110 107 2S 0.00455 -0.00841 0.01445 -0.00581 -0.00286 108 2PX 0.00578 -0.01050 0.02077 -0.01201 0.00124 109 2PY 0.00019 -0.00032 -0.00382 -0.00865 0.00459 110 2PZ 0.00479 -0.00721 0.01519 -0.00255 -0.00559 111 3S 0.00770 -0.01556 0.05272 -0.00688 -0.01312 112 3PX 0.00224 -0.00535 0.01845 -0.00380 -0.00040 113 3PY -0.00042 -0.00048 -0.00260 -0.00620 0.00179 114 3PZ 0.00192 -0.00098 0.00940 -0.00748 0.00508 115 4XX 0.00016 -0.00044 -0.00025 -0.00045 -0.00085 116 4YY 0.00003 0.00015 0.00019 0.00127 -0.00053 117 4ZZ -0.00029 0.00072 -0.00067 -0.00095 0.00117 118 4XY -0.00010 0.00038 -0.00020 -0.00160 0.00080 119 4XZ 0.00030 -0.00055 0.00119 -0.00030 0.00042 120 4YZ -0.00004 0.00016 -0.00033 -0.00006 0.00019 121 9 C 1S -0.00336 0.00638 -0.01020 -0.00492 -0.00017 122 2S 0.00647 -0.01412 0.02496 0.01111 0.00126 123 2PX 0.01336 -0.02987 0.03844 0.01949 -0.00940 124 2PY 0.00055 -0.00058 0.00516 -0.00447 -0.00930 125 2PZ -0.00149 0.00163 0.00473 -0.00650 -0.00347 126 3S 0.01341 -0.02545 0.03884 0.02475 0.00764 127 3PX 0.01044 -0.01812 0.02998 0.01242 -0.00662 128 3PY -0.00248 0.00333 -0.00435 -0.00797 -0.00934 129 3PZ -0.00017 -0.00223 0.01599 -0.00725 -0.00450 130 4XX -0.00178 0.00362 -0.00910 -0.00324 0.00368 131 4YY 0.00035 -0.00096 0.00192 0.00039 -0.00004 132 4ZZ 0.00054 -0.00145 0.00401 0.00168 -0.00229 133 4XY -0.00052 0.00114 -0.00302 -0.00090 0.00133 134 4XZ 0.00076 -0.00201 0.00287 0.00166 -0.00034 135 4YZ 0.00023 -0.00072 0.00091 0.00004 0.00067 136 10 H 1S 0.00539 -0.01117 0.01656 0.01023 0.00013 137 2S 0.00236 -0.00736 0.01819 -0.00057 -0.01144 138 11 H 1S -0.00837 0.01773 -0.02864 -0.01465 0.01256 139 2S -0.01174 0.02739 -0.05455 -0.02387 0.01741 140 12 H 1S 0.00034 -0.00120 -0.00207 0.00352 -0.00382 141 2S 0.00028 -0.00164 -0.00455 0.00661 -0.00369 142 13 H 1S -0.00196 0.00327 -0.00545 -0.00282 0.00637 143 2S -0.00442 0.00910 -0.01324 -0.00648 0.01553 144 14 H 1S -0.00677 0.01318 -0.01251 0.03060 -0.01388 145 2S -0.00879 0.01648 -0.02625 0.05466 -0.01687 146 15 C 1S -0.00353 0.00733 0.00476 0.01419 -0.00012 147 2S 0.00783 -0.01520 -0.01744 -0.03759 -0.00045 148 2PX -0.00422 0.01307 -0.00273 0.03045 -0.00489 149 2PY -0.00890 0.02347 0.01580 0.03514 -0.00007 150 2PZ -0.00067 0.00329 0.00099 0.01172 -0.01508 151 3S 0.00729 -0.02442 -0.00851 -0.07906 -0.00297 152 3PX -0.00292 0.01061 0.01784 0.02177 0.01811 153 3PY -0.00360 0.00890 0.00954 -0.00506 0.00576 154 3PZ 0.00025 0.00053 0.01344 0.01128 -0.00161 155 4XX -0.00028 0.00008 0.00261 -0.00358 0.00328 156 4YY -0.00121 0.00274 -0.00293 0.01054 -0.00465 157 4ZZ 0.00026 -0.00077 0.00081 -0.00351 0.00132 158 4XY -0.00095 0.00223 0.00169 0.00529 -0.00040 159 4XZ 0.00030 -0.00073 0.00145 -0.00347 0.00194 160 4YZ 0.00006 0.00036 0.00101 -0.00082 0.00122 161 16 O 1S -0.00270 0.00523 0.01167 0.00501 0.00422 162 2S 0.00717 -0.01360 -0.03025 -0.01916 -0.01075 163 2PX -0.01969 0.04235 0.05769 0.04705 0.03602 164 2PY -0.02028 0.03666 0.08403 0.02277 0.03740 165 2PZ -0.00587 0.00863 0.01934 0.00408 -0.01466 166 3S 0.00754 -0.01164 -0.07218 -0.01322 -0.02792 167 3PX -0.01223 0.02759 0.04837 0.03005 0.02991 168 3PY -0.01481 0.02508 0.06698 0.01777 0.02548 169 3PZ -0.00354 0.00606 0.01615 0.00089 -0.00792 170 4XX 0.00024 -0.00119 0.00031 -0.00177 0.00056 171 4YY -0.00041 0.00066 0.00235 -0.00013 0.00103 172 4ZZ -0.00004 -0.00037 -0.00056 -0.00265 -0.00034 173 4XY -0.00042 0.00067 0.00354 0.00235 0.00245 174 4XZ 0.00044 -0.00048 -0.00097 0.00037 -0.00080 175 4YZ -0.00014 0.00005 0.00231 0.00021 0.00014 176 17 C 1S 0.01294 -0.02532 -0.06601 -0.00894 -0.04294 177 2S -0.02688 0.04729 0.14229 0.02141 0.09839 178 2PX 0.05050 -0.09786 -0.20546 -0.04137 -0.16711 179 2PY 0.00813 -0.01645 -0.04258 0.01360 -0.01391 180 2PZ 0.02861 -0.05319 -0.15395 -0.01118 -0.05694 181 3S 0.01181 0.00530 0.14426 -0.00612 0.08927 182 3PX -0.01294 0.00527 -0.02075 -0.00851 -0.02027 183 3PY -0.00280 0.00527 0.01253 0.01523 -0.00017 184 3PZ -0.00667 0.00279 -0.02382 -0.01131 -0.01165 185 4XX -0.00607 0.01044 0.00294 0.00396 0.01387 186 4YY 0.00492 -0.00950 -0.01826 -0.00580 -0.01084 187 4ZZ -0.00145 0.00157 0.00576 -0.00003 -0.00913 188 4XY -0.00024 0.00080 -0.00151 -0.01150 -0.00027 189 4XZ -0.00547 0.00925 0.01144 0.00401 0.00053 190 4YZ -0.00288 0.00479 0.00996 -0.00575 0.00439 191 18 O 1S -0.00238 0.00484 0.00808 -0.00450 0.00719 192 2S 0.00486 -0.01103 -0.02159 0.00700 -0.01913 193 2PX -0.02540 0.03987 0.07018 0.00348 0.08044 194 2PY -0.00745 0.00847 0.02376 -0.00880 -0.00203 195 2PZ -0.01386 0.02762 0.06786 -0.01791 0.01001 196 3S 0.00696 -0.00735 -0.02415 0.03713 -0.02366 197 3PX -0.01718 0.02871 0.05395 -0.00198 0.06523 198 3PY -0.00677 0.01145 0.02737 -0.00159 0.00607 199 3PZ -0.00870 0.01648 0.04916 -0.02019 0.00432 200 4XX -0.00058 0.00053 0.00120 -0.00116 0.00091 201 4YY -0.00018 -0.00021 -0.00134 -0.00290 -0.00108 202 4ZZ -0.00032 -0.00042 0.00002 -0.00110 0.00048 203 4XY -0.00011 0.00039 -0.00037 -0.00035 0.00043 204 4XZ 0.00022 -0.00012 0.00094 -0.00002 0.00062 205 4YZ -0.00057 0.00089 0.00148 0.00016 -0.00017 206 19 O 1S 0.00046 -0.00114 0.00126 -0.00541 0.00217 207 2S -0.00175 0.00332 -0.00327 0.00998 -0.00544 208 2PX 0.00765 -0.00723 0.00375 -0.02759 0.00813 209 2PY 0.00429 -0.01409 0.00679 -0.03100 0.01386 210 2PZ 0.00619 -0.00278 -0.00358 -0.01932 0.01734 211 3S 0.00153 -0.00051 -0.00929 0.03868 -0.01093 212 3PX 0.00591 -0.00758 0.00031 -0.02629 0.00384 213 3PY 0.00141 -0.00712 0.00744 -0.02748 0.01145 214 3PZ 0.00455 -0.00276 -0.00540 -0.01656 0.01373 215 4XX -0.00032 -0.00000 0.00043 -0.00163 0.00033 216 4YY -0.00003 0.00014 -0.00056 -0.00140 -0.00018 217 4ZZ -0.00016 -0.00015 -0.00005 -0.00173 0.00026 218 4XY -0.00018 0.00017 0.00023 0.00034 0.00013 219 4XZ 0.00000 0.00000 0.00037 -0.00034 0.00038 220 4YZ -0.00027 0.00005 0.00024 0.00050 -0.00029 221 20 H 1S 0.00878 -0.01945 0.00603 -0.01788 0.02961 222 2S 0.01073 -0.02043 0.01106 -0.03396 0.04871 223 21 H 1S -0.05234 0.10075 0.04303 -0.18075 -0.18907 224 2S -0.00598 0.01670 0.03614 -0.14822 -0.15800 225 22 H 1S 0.00807 -0.01872 0.02032 0.02402 -0.01977 226 2S 0.01210 -0.02326 0.02092 0.04651 -0.05036 227 23 H 1S -0.00293 0.00947 -0.01581 -0.00522 0.01147 228 2S -0.00412 0.01471 -0.02713 -0.00638 0.02986 229 24 H 1S -0.00237 0.00567 -0.00592 -0.00119 0.00724 230 2S -0.00387 0.00962 -0.01069 -0.00172 0.01653 231 25 H 1S 0.00275 -0.00682 0.00742 -0.00139 -0.00634 232 2S 0.00409 -0.01004 0.01165 0.00071 -0.01152 233 26 H 1S 0.00021 -0.00016 0.00064 0.00051 -0.00081 234 2S -0.00083 0.00180 -0.00335 0.00243 0.00016 66 67 68 69 70 66 3S 0.53588 67 3PX 0.04214 0.11445 68 3PY 0.05746 0.01346 0.10186 69 3PZ 0.05031 -0.00317 0.01089 0.11193 70 4XX -0.00385 0.00158 0.00002 0.00530 0.00140 71 4YY -0.00442 -0.00140 0.00070 -0.00530 -0.00055 72 4ZZ -0.00519 0.00013 -0.00308 -0.00226 -0.00015 73 4XY 0.00096 -0.00048 0.00054 0.00429 0.00031 74 4XZ -0.00147 0.00465 0.00354 0.00155 0.00046 75 4YZ 0.00476 0.00475 -0.00570 -0.00444 -0.00007 76 6 C 1S 0.02040 0.00321 -0.00138 -0.00054 0.00181 77 2S 0.00424 -0.00838 0.02254 0.00008 -0.00434 78 2PX 0.01323 0.00307 0.00556 0.00186 -0.00481 79 2PY -0.10785 0.04105 -0.12652 0.07062 0.00779 80 2PZ 0.06238 -0.00376 0.02365 -0.00935 -0.00420 81 3S -0.10640 -0.01898 -0.01938 0.01421 -0.00549 82 3PX -0.02483 -0.00105 -0.01014 0.00138 -0.00210 83 3PY 0.01594 0.02932 -0.04174 0.04497 0.00446 84 3PZ -0.00350 -0.00443 -0.00559 -0.00562 -0.00250 85 4XX -0.00445 0.00306 -0.00356 0.00085 0.00022 86 4YY 0.01174 -0.00191 0.00167 -0.00497 -0.00039 87 4ZZ -0.00342 -0.00010 0.00023 0.00361 0.00036 88 4XY -0.00528 -0.00378 -0.00443 0.00267 -0.00001 89 4XZ 0.00336 0.00106 0.00166 0.00075 -0.00010 90 4YZ -0.00900 0.00191 -0.00493 -0.00209 0.00003 91 7 C 1S -0.00175 -0.00032 0.00307 0.00023 -0.00042 92 2S -0.02166 0.01420 -0.01499 -0.00198 0.00037 93 2PX -0.01990 0.01189 -0.01735 0.00140 0.00296 94 2PY 0.07058 -0.02341 0.03525 -0.01888 -0.00044 95 2PZ -0.01632 -0.00954 -0.01216 0.00030 0.00002 96 3S -0.02225 0.00027 -0.01528 -0.01729 0.00065 97 3PX 0.00105 0.01252 -0.00634 -0.00636 0.00213 98 3PY 0.02335 -0.00185 0.01193 -0.01442 -0.00117 99 3PZ 0.00342 -0.00933 0.00459 -0.00439 0.00036 100 4XX -0.00096 0.00101 -0.00135 0.00141 -0.00004 101 4YY 0.00419 -0.00111 0.00361 -0.00195 -0.00016 102 4ZZ -0.00028 0.00012 -0.00102 0.00082 0.00006 103 4XY -0.00336 0.00225 -0.00334 0.00115 0.00011 104 4XZ -0.00072 0.00044 0.00160 -0.00128 -0.00017 105 4YZ -0.00244 0.00020 -0.00089 0.00024 0.00003 106 8 C 1S 0.00540 -0.00644 0.00072 0.00179 0.00005 107 2S -0.01930 0.01450 -0.00385 -0.00078 -0.00032 108 2PX -0.03334 0.01948 -0.01898 0.00336 -0.00040 109 2PY -0.00727 -0.00204 -0.00500 0.01177 0.00039 110 2PZ -0.04294 0.01648 -0.00032 -0.01253 -0.00084 111 3S -0.02426 0.03796 -0.00424 -0.00370 -0.00116 112 3PX -0.01311 0.01344 -0.00757 0.00222 -0.00057 113 3PY 0.00079 -0.00142 0.00014 0.00451 0.00074 114 3PZ -0.01167 0.00874 -0.00325 -0.00012 -0.00042 115 4XX -0.00217 -0.00001 0.00028 -0.00070 0.00011 116 4YY -0.00021 -0.00000 0.00109 -0.00077 -0.00019 117 4ZZ 0.00323 -0.00086 -0.00114 0.00129 0.00010 118 4XY 0.00084 0.00033 -0.00137 0.00117 -0.00026 119 4XZ -0.00155 0.00081 -0.00078 0.00009 0.00013 120 4YZ -0.00059 -0.00029 -0.00021 0.00033 -0.00009 121 9 C 1S 0.01181 -0.00763 -0.00232 -0.00143 -0.00175 122 2S -0.02188 0.00791 0.00662 -0.00482 0.00354 123 2PX -0.05821 0.01536 0.01712 -0.02453 0.01085 124 2PY -0.00267 0.01262 -0.00270 -0.01835 0.00134 125 2PZ 0.02980 0.00323 -0.01088 0.00303 0.00394 126 3S -0.03579 0.00921 0.01325 -0.00781 0.00411 127 3PX -0.03209 0.01097 0.00713 -0.01340 0.00498 128 3PY 0.00825 0.00076 -0.00312 -0.01177 0.00056 129 3PZ 0.00414 0.00726 -0.01037 -0.00179 0.00163 130 4XX 0.00437 -0.00474 -0.00174 0.00211 0.00009 131 4YY -0.00244 0.00150 0.00031 -0.00000 -0.00021 132 4ZZ -0.00058 0.00209 0.00114 -0.00078 -0.00008 133 4XY 0.00192 -0.00151 -0.00064 0.00111 -0.00000 134 4XZ -0.00274 0.00195 0.00149 -0.00129 0.00050 135 4YZ -0.00159 0.00007 0.00090 0.00009 0.00016 136 10 H 1S -0.02930 0.00275 0.01102 -0.00015 -0.00027 137 2S -0.02193 0.00684 0.00520 -0.00529 -0.00127 138 11 H 1S 0.03832 -0.01644 -0.01451 0.01928 -0.00320 139 2S 0.04770 -0.02931 -0.02050 0.02198 -0.00357 140 12 H 1S -0.00293 -0.00224 0.01008 -0.00444 0.00067 141 2S -0.00421 -0.00534 0.01142 -0.00566 0.00124 142 13 H 1S 0.02549 -0.00638 -0.00416 0.01004 0.00073 143 2S 0.03546 -0.01272 -0.00770 0.01436 0.00117 144 14 H 1S 0.04431 -0.01124 0.02878 -0.01681 -0.00099 145 2S 0.05427 -0.01662 0.04297 -0.01639 -0.00103 146 15 C 1S -0.00021 -0.00122 0.00793 -0.00377 0.00057 147 2S -0.02133 -0.00712 -0.02965 0.00707 -0.00124 148 2PX 0.00912 -0.00135 0.02970 -0.01696 0.00164 149 2PY 0.05682 0.00336 0.04010 -0.02042 0.00260 150 2PZ -0.01185 0.00032 0.00537 -0.00382 0.00002 151 3S -0.02465 0.00329 -0.04256 0.00812 -0.00138 152 3PX -0.00653 0.00908 0.00062 0.00790 0.00051 153 3PY 0.00647 0.00372 -0.00369 0.00365 0.00072 154 3PZ -0.01366 0.00740 -0.00022 0.00275 0.00001 155 4XX 0.00146 0.00362 -0.00248 0.00277 0.00009 156 4YY -0.00134 -0.00325 0.00527 -0.00451 -0.00003 157 4ZZ 0.00065 -0.00027 -0.00130 0.00197 -0.00003 158 4XY -0.00394 0.00047 -0.00338 0.00210 -0.00038 159 4XZ 0.00181 0.00108 -0.00113 0.00222 0.00002 160 4YZ -0.00538 0.00203 -0.00332 0.00080 -0.00004 161 16 O 1S 0.00094 0.00261 -0.00076 0.00247 -0.00082 162 2S -0.00947 -0.00798 0.00096 -0.00749 0.00148 163 2PX 0.10650 0.07118 0.01569 0.02808 -0.00043 164 2PY 0.16165 0.07227 0.02253 0.05322 -0.00283 165 2PZ 0.05361 -0.00820 -0.00973 0.02548 -0.00379 166 3S -0.00859 -0.03109 0.00139 -0.02050 0.00066 167 3PX 0.06456 0.05240 0.00866 0.02090 -0.00021 168 3PY 0.12198 0.05272 0.02397 0.03546 -0.00115 169 3PZ 0.03092 -0.00471 -0.01046 0.02038 -0.00229 170 4XX -0.00253 -0.00164 -0.00107 0.00108 -0.00011 171 4YY -0.00023 0.00097 0.00031 0.00018 0.00037 172 4ZZ 0.00059 0.00139 -0.00103 -0.00041 -0.00013 173 4XY -0.00343 -0.00052 0.00134 -0.00087 0.00032 174 4XZ -0.00284 0.00028 0.00013 -0.00123 0.00010 175 4YZ -0.00180 0.00141 0.00029 -0.00048 0.00017 176 17 C 1S 0.01207 -0.00738 -0.00023 -0.01137 -0.00517 177 2S 0.00691 0.02946 0.01047 0.03034 0.01018 178 2PX -0.13598 -0.09510 -0.02776 -0.06233 -0.00338 179 2PY 0.00133 -0.02248 0.02691 -0.02008 -0.00290 180 2PZ -0.08260 -0.08375 -0.02719 -0.03477 -0.00820 181 3S -0.02404 0.04324 0.00286 0.02720 0.00859 182 3PX 0.06497 0.01319 0.00990 0.01127 -0.00137 183 3PY 0.02776 0.01010 0.01161 0.00037 -0.00143 184 3PZ 0.03001 -0.00322 -0.00067 -0.00685 -0.00457 185 4XX 0.02665 0.00569 0.00533 0.01023 0.00004 186 4YY -0.02408 -0.01232 -0.00618 -0.00600 -0.00018 187 4ZZ 0.00600 0.00619 0.00105 -0.00579 -0.00070 188 4XY -0.00395 -0.00094 -0.00547 -0.00321 -0.00009 189 4XZ 0.02006 0.00713 0.00381 0.00257 -0.00005 190 4YZ 0.01637 0.00669 -0.00004 0.00486 -0.00004 191 18 O 1S 0.00262 -0.00174 0.00002 0.00069 -0.00034 192 2S -0.01184 0.00121 -0.00581 -0.00095 0.00072 193 2PX 0.27702 0.08932 0.07254 0.09728 0.00320 194 2PY 0.10894 0.02376 0.02564 0.00367 -0.00197 195 2PZ 0.10637 0.06861 0.01805 -0.02018 -0.00658 196 3S -0.00855 0.00502 0.00641 -0.00534 -0.00000 197 3PX 0.18442 0.05945 0.04535 0.07001 0.00273 198 3PY 0.08230 0.02297 0.02123 0.00465 -0.00093 199 3PZ 0.06321 0.04640 0.00681 -0.01425 -0.00366 200 4XX -0.00405 -0.00042 -0.00183 -0.00151 -0.00015 201 4YY 0.00574 0.00006 0.00087 -0.00057 -0.00025 202 4ZZ -0.00184 -0.00099 -0.00062 0.00210 0.00050 203 4XY 0.00521 0.00154 0.00128 0.00228 0.00008 204 4XZ -0.00720 -0.00183 -0.00240 -0.00085 0.00019 205 4YZ 0.00121 0.00177 0.00004 -0.00087 -0.00027 206 19 O 1S -0.00078 0.00303 -0.00291 0.00276 0.00004 207 2S 0.00397 -0.00814 0.00692 -0.00823 -0.00006 208 2PX -0.12600 -0.00295 -0.07150 0.01120 -0.00055 209 2PY -0.03053 0.00906 -0.02793 0.02394 -0.00125 210 2PZ -0.09346 0.00557 -0.03955 0.00330 0.00080 211 3S -0.00068 -0.01207 0.02003 -0.01003 -0.00079 212 3PX -0.08729 -0.00346 -0.05228 0.00771 -0.00042 213 3PY -0.01371 0.00770 -0.01976 0.01540 -0.00051 214 3PZ -0.06480 0.00257 -0.02864 0.00236 0.00058 215 4XX 0.00018 0.00050 -0.00076 0.00047 0.00000 216 4YY 0.00082 -0.00040 -0.00019 -0.00084 0.00009 217 4ZZ -0.00185 0.00007 -0.00139 0.00047 -0.00000 218 4XY 0.00537 0.00042 0.00218 0.00011 -0.00001 219 4XZ 0.00032 0.00020 -0.00019 0.00032 0.00001 220 4YZ 0.00422 -0.00016 0.00139 0.00014 -0.00006 221 20 H 1S -0.03784 -0.00239 -0.00278 0.01613 0.00164 222 2S -0.02700 -0.00178 -0.00329 0.02173 0.00268 223 21 H 1S 0.08187 0.03268 -0.07964 -0.09842 -0.00668 224 2S -0.01314 0.02700 -0.06505 -0.08122 -0.00525 225 22 H 1S -0.04030 0.02541 0.00511 -0.00582 -0.00310 226 2S -0.05989 0.01888 0.00698 -0.02321 -0.00434 227 23 H 1S 0.01434 -0.02109 -0.01367 0.00423 0.00106 228 2S 0.01949 -0.02777 -0.01437 0.01241 0.00188 229 24 H 1S 0.01417 -0.00312 -0.00533 0.00864 0.00018 230 2S 0.02355 -0.00505 -0.00645 0.01342 0.00028 231 25 H 1S -0.01516 0.00767 0.00416 -0.00459 -0.00029 232 2S -0.02251 0.00964 0.00635 -0.00785 -0.00045 233 26 H 1S -0.00334 -0.00093 -0.00082 -0.00382 -0.00001 234 2S 0.00053 -0.00461 0.00003 -0.00366 0.00007 71 72 73 74 75 71 4YY 0.00118 72 4ZZ -0.00000 0.00086 73 4XY -0.00020 -0.00015 0.00070 74 4XZ -0.00014 -0.00025 0.00007 0.00113 75 4YZ -0.00023 0.00023 -0.00028 -0.00021 0.00140 76 6 C 1S -0.00535 0.00073 0.00140 -0.00090 0.00400 77 2S 0.00902 -0.00272 -0.00304 0.00169 -0.00730 78 2PX 0.00422 0.00033 0.00809 -0.00421 -0.00248 79 2PY -0.00453 0.00267 0.00266 -0.00231 0.00948 80 2PZ 0.00909 -0.00936 -0.00233 -0.00090 0.00380 81 3S 0.01245 -0.00332 -0.00269 0.00238 -0.00958 82 3PX 0.00210 0.00053 0.00419 -0.00240 -0.00182 83 3PY -0.00349 0.00002 0.00174 -0.00017 0.00503 84 3PZ 0.00504 -0.00432 -0.00115 -0.00053 0.00238 85 4XX 0.00001 -0.00006 0.00003 0.00003 0.00048 86 4YY 0.00018 -0.00009 -0.00015 -0.00026 0.00027 87 4ZZ -0.00061 0.00044 0.00023 0.00018 -0.00043 88 4XY 0.00006 0.00012 0.00025 -0.00047 -0.00005 89 4XZ 0.00019 -0.00020 0.00027 0.00004 -0.00003 90 4YZ 0.00012 0.00026 -0.00010 -0.00015 0.00045 91 7 C 1S -0.00048 0.00013 0.00097 -0.00048 -0.00051 92 2S 0.00068 -0.00024 -0.00203 0.00139 0.00139 93 2PX 0.00140 -0.00272 -0.00622 0.00295 0.00299 94 2PY -0.00095 0.00061 0.00382 -0.00170 -0.00139 95 2PZ -0.00060 0.00040 0.00210 -0.00039 -0.00123 96 3S 0.00019 0.00004 -0.00090 -0.00022 0.00102 97 3PX -0.00035 -0.00090 -0.00244 0.00134 0.00181 98 3PY 0.00048 0.00066 0.00093 -0.00033 -0.00018 99 3PZ -0.00004 -0.00039 0.00093 0.00001 -0.00135 100 4XX 0.00030 -0.00016 -0.00020 0.00005 0.00011 101 4YY 0.00001 -0.00001 0.00012 -0.00005 -0.00017 102 4ZZ -0.00025 0.00022 0.00020 0.00002 -0.00006 103 4XY -0.00019 0.00020 0.00023 -0.00009 0.00026 104 4XZ 0.00005 -0.00003 0.00008 -0.00018 0.00020 105 4YZ 0.00001 0.00005 -0.00013 0.00006 0.00001 106 8 C 1S -0.00012 -0.00022 -0.00009 -0.00022 -0.00009 107 2S 0.00035 0.00060 0.00035 0.00003 0.00035 108 2PX -0.00018 0.00062 0.00071 0.00024 0.00024 109 2PY -0.00022 -0.00013 0.00030 -0.00117 0.00159 110 2PZ 0.00042 0.00076 -0.00065 0.00037 -0.00020 111 3S 0.00121 0.00079 0.00055 0.00082 0.00075 112 3PX 0.00000 0.00059 0.00036 0.00025 0.00009 113 3PY -0.00057 -0.00020 0.00035 -0.00097 0.00137 114 3PZ 0.00013 0.00037 0.00005 0.00047 -0.00053 115 4XX 0.00003 -0.00008 -0.00029 0.00008 0.00013 116 4YY 0.00001 0.00012 0.00008 -0.00005 -0.00006 117 4ZZ -0.00006 -0.00005 0.00013 -0.00004 -0.00001 118 4XY 0.00005 0.00013 -0.00007 -0.00008 0.00001 119 4XZ -0.00004 -0.00006 0.00006 0.00005 0.00003 120 4YZ 0.00003 0.00006 0.00004 -0.00002 -0.00003 121 9 C 1S 0.00041 0.00049 -0.00077 -0.00086 -0.00021 122 2S -0.00100 -0.00143 0.00144 0.00175 0.00035 123 2PX -0.00189 -0.00503 0.00363 0.00328 0.00084 124 2PY -0.00034 -0.00042 0.00014 0.00007 -0.00052 125 2PZ -0.00059 -0.00255 0.00087 -0.00034 0.00078 126 3S -0.00178 -0.00126 0.00222 0.00284 0.00067 127 3PX -0.00068 -0.00243 0.00178 0.00249 0.00051 128 3PY -0.00004 -0.00017 0.00017 -0.00036 0.00011 129 3PZ -0.00011 -0.00091 0.00025 0.00070 0.00085 130 4XX -0.00011 -0.00011 0.00016 -0.00035 -0.00013 131 4YY 0.00005 0.00014 -0.00008 0.00005 -0.00000 132 4ZZ 0.00007 0.00012 -0.00010 0.00006 0.00006 133 4XY -0.00014 0.00003 -0.00009 -0.00018 0.00011 134 4XZ -0.00007 -0.00016 0.00018 0.00009 -0.00005 135 4YZ -0.00014 0.00003 -0.00008 0.00002 0.00018 136 10 H 1S -0.00015 0.00077 -0.00021 0.00104 0.00066 137 2S 0.00029 0.00148 -0.00128 0.00044 0.00143 138 11 H 1S 0.00021 0.00114 -0.00085 -0.00178 -0.00002 139 2S 0.00033 0.00098 -0.00079 -0.00257 -0.00044 140 12 H 1S 0.00021 -0.00035 -0.00079 0.00017 0.00048 141 2S 0.00004 -0.00070 -0.00134 0.00065 0.00041 142 13 H 1S -0.00032 -0.00040 0.00087 -0.00018 0.00003 143 2S -0.00073 -0.00059 0.00120 -0.00003 -0.00060 144 14 H 1S 0.00010 0.00012 0.00168 -0.00074 -0.00109 145 2S 0.00012 -0.00056 0.00166 -0.00049 -0.00240 146 15 C 1S -0.00142 0.00004 -0.00094 0.00133 -0.00045 147 2S 0.00337 -0.00008 0.00185 -0.00314 0.00109 148 2PX -0.00543 0.00152 -0.00241 0.00254 -0.00172 149 2PY -0.00511 0.00178 -0.00357 0.00340 -0.00077 150 2PZ -0.00071 -0.00006 -0.00173 0.00115 0.00077 151 3S 0.00150 0.00137 0.00136 -0.00475 0.00353 152 3PX -0.00078 -0.00039 0.00019 0.00122 -0.00095 153 3PY -0.00112 0.00080 -0.00151 0.00128 -0.00011 154 3PZ 0.00020 -0.00019 -0.00003 0.00032 -0.00002 155 4XX 0.00003 -0.00013 -0.00027 0.00003 0.00010 156 4YY 0.00012 -0.00017 0.00014 0.00016 -0.00032 157 4ZZ -0.00020 0.00023 0.00002 0.00005 0.00008 158 4XY 0.00070 -0.00026 0.00017 -0.00015 -0.00004 159 4XZ -0.00011 0.00019 -0.00001 0.00006 -0.00005 160 4YZ 0.00015 0.00007 0.00017 -0.00024 -0.00025 161 16 O 1S -0.00021 -0.00066 0.00014 -0.00021 0.00004 162 2S 0.00030 0.00173 -0.00059 -0.00019 0.00018 163 2PX 0.00039 -0.00108 -0.00295 0.00016 -0.00296 164 2PY -0.00233 0.00055 -0.00427 0.00284 -0.00080 165 2PZ 0.00263 0.00215 -0.00010 0.00104 0.00256 166 3S 0.00100 0.00245 -0.00327 0.00028 -0.00197 167 3PX 0.00016 -0.00079 -0.00117 0.00023 -0.00145 168 3PY -0.00171 -0.00010 -0.00210 0.00206 0.00010 169 3PZ 0.00171 0.00115 -0.00002 0.00065 0.00162 170 4XX 0.00008 -0.00003 0.00031 -0.00003 0.00028 171 4YY -0.00022 -0.00000 -0.00005 0.00010 0.00002 172 4ZZ -0.00005 0.00013 -0.00008 -0.00023 0.00003 173 4XY -0.00016 -0.00011 0.00035 0.00036 0.00008 174 4XZ 0.00009 -0.00020 0.00013 -0.00016 -0.00012 175 4YZ -0.00006 -0.00018 0.00006 -0.00002 -0.00001 176 17 C 1S 0.00283 -0.00010 -0.00131 -0.00528 -0.00081 177 2S -0.00675 -0.00079 0.00266 0.01115 0.00135 178 2PX 0.00797 0.00136 -0.00430 -0.01148 -0.00252 179 2PY 0.00218 0.00004 0.00548 -0.00259 0.00249 180 2PZ 0.00453 0.00718 -0.00251 -0.00251 -0.00175 181 3S -0.00707 -0.00034 0.00213 0.00866 0.00240 182 3PX 0.00155 -0.00128 -0.00079 -0.00478 -0.00011 183 3PY 0.00055 0.00020 0.00134 0.00054 0.00085 184 3PZ 0.00119 0.00276 -0.00013 -0.00153 0.00118 185 4XX -0.00039 -0.00053 0.00029 -0.00029 -0.00024 186 4YY 0.00063 0.00016 -0.00006 -0.00064 -0.00009 187 4ZZ 0.00028 0.00027 -0.00019 -0.00003 0.00040 188 4XY -0.00009 0.00037 0.00016 -0.00024 0.00053 189 4XZ -0.00010 -0.00020 0.00001 0.00037 0.00026 190 4YZ -0.00033 -0.00006 0.00000 -0.00010 0.00051 191 18 O 1S -0.00049 -0.00033 0.00021 -0.00041 0.00031 192 2S 0.00114 0.00106 -0.00075 0.00059 -0.00059 193 2PX -0.00334 -0.00690 0.00419 -0.00557 0.00144 194 2PY -0.00100 0.00349 -0.00045 0.00130 0.00224 195 2PZ 0.00015 0.00282 0.00441 0.00057 0.00667 196 3S 0.00252 -0.00092 0.00128 0.00059 -0.00103 197 3PX -0.00302 -0.00415 0.00260 -0.00280 0.00098 198 3PY -0.00097 0.00152 0.00032 0.00116 0.00163 199 3PZ -0.00024 0.00222 0.00222 0.00061 0.00448 200 4XX -0.00006 0.00026 -0.00008 0.00021 0.00006 201 4YY -0.00002 0.00029 0.00002 -0.00014 0.00026 202 4ZZ -0.00016 -0.00025 -0.00025 -0.00012 -0.00020 203 4XY 0.00002 -0.00032 0.00007 -0.00038 -0.00005 204 4XZ -0.00008 0.00010 -0.00017 0.00035 -0.00012 205 4YZ 0.00008 0.00000 0.00012 -0.00004 0.00014 206 19 O 1S 0.00004 0.00007 0.00005 -0.00014 0.00020 207 2S -0.00029 0.00022 -0.00054 0.00023 -0.00044 208 2PX 0.00249 -0.00058 0.00165 -0.00229 0.00215 209 2PY 0.00200 -0.00114 0.00166 -0.00130 0.00055 210 2PZ 0.00003 0.00104 0.00177 -0.00163 -0.00080 211 3S 0.00120 -0.00163 0.00102 0.00030 -0.00148 212 3PX 0.00202 -0.00036 0.00116 -0.00189 0.00185 213 3PY 0.00063 -0.00011 0.00058 -0.00083 0.00065 214 3PZ 0.00008 0.00073 0.00146 -0.00130 -0.00064 215 4XX -0.00003 0.00006 -0.00007 -0.00000 0.00005 216 4YY -0.00014 0.00017 -0.00015 0.00000 0.00005 217 4ZZ -0.00003 0.00009 -0.00004 -0.00003 0.00004 218 4XY -0.00000 -0.00000 -0.00003 0.00004 -0.00005 219 4XZ -0.00002 0.00001 -0.00001 0.00001 0.00001 220 4YZ 0.00003 -0.00005 -0.00003 0.00003 0.00002 221 20 H 1S -0.00328 0.00480 0.00114 0.00143 -0.00571 222 2S -0.00529 0.00421 0.00194 0.00101 -0.00315 223 21 H 1S 0.00214 0.00421 -0.00513 -0.00573 0.01358 224 2S 0.00222 0.00473 -0.00489 -0.00523 0.01139 225 22 H 1S 0.00455 0.00126 0.00301 -0.00028 -0.00604 226 2S 0.00565 0.00062 0.00099 0.00141 -0.00519 227 23 H 1S 0.00015 -0.00141 0.00121 0.00137 -0.00078 228 2S -0.00051 -0.00202 0.00221 0.00155 -0.00149 229 24 H 1S 0.00030 -0.00060 0.00033 0.00052 -0.00071 230 2S 0.00041 -0.00101 0.00082 0.00080 -0.00139 231 25 H 1S -0.00000 0.00015 -0.00020 -0.00002 0.00067 232 2S 0.00001 0.00026 0.00006 -0.00004 0.00076 233 26 H 1S -0.00026 0.00028 0.00005 -0.00032 -0.00002 234 2S -0.00037 0.00022 0.00050 -0.00024 -0.00045 76 77 78 79 80 76 6 C 1S 2.05364 77 2S -0.05241 0.30664 78 2PX 0.00240 -0.01109 0.39765 79 2PY -0.00010 -0.00034 -0.00812 0.39071 80 2PZ 0.00116 0.00006 0.00208 -0.00232 0.40563 81 3S -0.23201 0.32950 0.02951 0.03825 0.04980 82 3PX -0.00747 0.00217 0.19920 0.00650 -0.01389 83 3PY 0.00265 -0.00324 -0.00727 0.17088 0.00424 84 3PZ -0.01384 0.00394 0.00606 0.01613 0.20194 85 4XX -0.01494 -0.00512 -0.00219 0.01060 0.00843 86 4YY -0.01367 -0.00769 0.00309 -0.00974 0.00897 87 4ZZ -0.01735 -0.00004 -0.00013 -0.00099 -0.02256 88 4XY 0.00017 -0.00035 0.01173 0.00880 -0.00010 89 4XZ 0.00005 -0.00017 0.00973 -0.00033 0.00549 90 4YZ 0.00042 -0.00048 -0.00001 0.01119 -0.00041 91 7 C 1S 0.01066 -0.02010 0.05273 -0.01971 -0.01872 92 2S -0.02009 0.03078 -0.11080 0.04290 0.03934 93 2PX -0.05795 0.11836 -0.25167 0.10500 0.08212 94 2PY 0.02051 -0.04138 0.09535 -0.01843 -0.02927 95 2PZ 0.02004 -0.04658 0.09299 -0.03972 -0.02283 96 3S 0.00719 0.00261 -0.07652 0.02508 0.02428 97 3PX -0.00680 0.02798 -0.10752 0.04323 0.01947 98 3PY 0.00548 -0.01213 0.03193 -0.00910 0.00252 99 3PZ 0.00804 -0.01636 0.04319 -0.03228 -0.00716 100 4XX -0.00510 0.00929 -0.00446 0.00733 0.00570 101 4YY 0.00151 -0.00360 0.00456 -0.00708 0.00016 102 4ZZ 0.00163 -0.00430 0.00549 -0.00198 -0.00897 103 4XY 0.00307 -0.00600 0.00827 0.00564 -0.00315 104 4XZ 0.00316 -0.00603 0.00705 -0.00324 0.00585 105 4YZ -0.00107 0.00216 -0.00320 -0.00048 -0.00139 106 8 C 1S -0.00324 0.00613 -0.01077 -0.00078 -0.00228 107 2S 0.00623 -0.01381 0.02626 0.00276 0.00517 108 2PX 0.01255 -0.02757 0.04094 -0.00579 -0.00084 109 2PY 0.00291 -0.00856 0.01322 0.00202 0.00196 110 2PZ -0.00295 0.00559 -0.00213 0.00194 -0.01249 111 3S 0.01256 -0.02307 0.03938 0.00541 0.01978 112 3PX 0.00882 -0.01501 0.02615 -0.00460 -0.00221 113 3PY 0.00480 -0.00988 0.02342 0.00658 -0.00030 114 3PZ -0.00370 0.00441 -0.00158 0.00490 -0.01451 115 4XX -0.00197 0.00414 -0.01108 0.00147 0.00170 116 4YY 0.00051 -0.00138 0.00388 -0.00115 -0.00066 117 4ZZ 0.00056 -0.00161 0.00370 0.00021 -0.00049 118 4XY -0.00003 -0.00021 -0.00106 0.00047 0.00084 119 4XZ 0.00055 -0.00143 0.00191 0.00026 0.00068 120 4YZ 0.00018 -0.00049 0.00167 -0.00083 -0.00036 121 9 C 1S -0.00214 0.00450 -0.00696 -0.00352 0.00378 122 2S 0.00450 -0.00850 0.01167 0.00674 -0.00822 123 2PX 0.00460 -0.00897 0.00901 0.01650 -0.00957 124 2PY 0.00525 -0.00838 0.01950 0.00293 -0.00782 125 2PZ 0.00256 -0.00407 0.00249 0.00483 -0.00586 126 3S 0.00772 -0.01673 0.04936 0.01288 -0.02282 127 3PX 0.00126 -0.00428 0.01065 0.00918 -0.00524 128 3PY 0.00262 -0.00286 0.01383 0.00727 -0.00351 129 3PZ 0.00087 -0.00082 -0.00126 0.00820 -0.00346 130 4XX -0.00002 -0.00001 -0.00090 0.00022 -0.00095 131 4YY 0.00006 -0.00010 0.00063 -0.00010 0.00028 132 4ZZ -0.00019 0.00063 -0.00055 -0.00039 0.00061 133 4XY 0.00029 -0.00072 0.00069 -0.00013 -0.00025 134 4XZ 0.00016 -0.00010 0.00046 0.00108 -0.00012 135 4YZ -0.00017 0.00043 -0.00117 0.00188 -0.00022 136 10 H 1S -0.00193 0.00337 -0.00695 0.00427 0.00338 137 2S -0.00415 0.00898 -0.01602 0.00965 0.00803 138 11 H 1S 0.00031 -0.00123 -0.00025 -0.00549 0.00007 139 2S -0.00008 -0.00076 -0.00259 -0.00713 0.00335 140 12 H 1S -0.00846 0.01769 -0.03358 0.00793 0.00279 141 2S -0.01150 0.02678 -0.06111 0.00719 0.00329 142 13 H 1S 0.00554 -0.01137 0.01914 -0.00055 0.00450 143 2S 0.00269 -0.00777 0.01885 -0.00116 -0.01158 144 14 H 1S 0.00799 -0.01871 0.03014 -0.02179 0.00004 145 2S 0.01177 -0.02354 0.04358 -0.05678 -0.00617 146 15 C 1S 0.01291 -0.02523 -0.05781 -0.04750 -0.02603 147 2S -0.02671 0.04700 0.12439 0.10509 0.06153 148 2PX 0.04518 -0.08782 -0.15718 -0.14941 -0.09964 149 2PY 0.03252 -0.06086 -0.13885 -0.09669 -0.06031 150 2PZ 0.01806 -0.03407 -0.09173 -0.05891 0.00494 151 3S 0.01166 0.00607 0.11783 0.11602 0.03765 152 3PX -0.01203 0.00625 -0.00832 -0.01540 -0.01162 153 3PY -0.00774 0.00161 -0.03524 -0.00741 -0.01844 154 3PZ -0.00463 0.00449 -0.00179 -0.00804 -0.00029 155 4XX -0.00320 0.00564 -0.00657 0.00807 0.00448 156 4YY 0.00042 -0.00162 -0.00119 -0.01454 -0.00002 157 4ZZ 0.00019 -0.00146 -0.00091 0.00002 -0.00850 158 4XY -0.00743 0.01285 0.01599 0.00774 0.01121 159 4XZ -0.00160 0.00266 -0.00033 0.00268 -0.00783 160 4YZ -0.00393 0.00684 0.01254 0.00529 -0.00305 161 16 O 1S -0.00270 0.00518 0.01190 0.00388 0.00466 162 2S 0.00716 -0.01354 -0.03290 -0.00607 -0.01629 163 2PX -0.02449 0.05071 0.08391 0.03033 0.05760 164 2PY 0.00168 -0.00217 -0.01196 -0.02429 -0.00838 165 2PZ -0.01531 0.02537 0.06163 0.02220 0.00590 166 3S 0.00751 -0.01123 -0.06718 -0.03625 -0.01730 167 3PX -0.01606 0.03342 0.06666 0.02846 0.04042 168 3PY 0.00259 -0.00202 -0.01059 -0.01220 -0.00578 169 3PZ -0.01104 0.01770 0.04914 0.01766 0.00355 170 4XX -0.00017 -0.00050 0.00190 0.00262 0.00079 171 4YY 0.00031 -0.00057 -0.00323 -0.00021 -0.00205 172 4ZZ -0.00035 0.00014 0.00158 0.00204 -0.00141 173 4XY 0.00059 -0.00112 -0.00180 -0.00105 -0.00155 174 4XZ -0.00012 0.00050 0.00286 0.00029 0.00202 175 4YZ 0.00008 -0.00033 -0.00041 0.00017 -0.00030 176 17 C 1S -0.00354 0.00736 0.00930 -0.00731 0.00914 177 2S 0.00783 -0.01533 -0.02882 0.01699 -0.02412 178 2PX -0.00673 0.01982 0.01644 -0.02505 0.02488 179 2PY 0.00349 -0.00756 -0.00878 -0.01007 -0.00898 180 2PZ -0.00627 0.01736 0.02192 -0.02008 0.01166 181 3S 0.00749 -0.02486 -0.03443 0.04637 -0.05585 182 3PX -0.00366 0.01199 0.02017 0.00771 0.02101 183 3PY 0.00124 -0.00100 0.01397 -0.00653 0.01314 184 3PZ -0.00176 0.00457 0.01316 0.00354 -0.00139 185 4XX -0.00100 0.00172 0.00276 0.00066 0.00204 186 4YY 0.00006 -0.00071 -0.00131 -0.00033 -0.00095 187 4ZZ -0.00032 0.00100 0.00033 -0.00231 0.00118 188 4XY 0.00079 -0.00187 -0.00163 0.00863 -0.00333 189 4XZ -0.00068 0.00175 0.00245 -0.00316 0.00266 190 4YZ 0.00050 -0.00116 -0.00006 0.00667 -0.00234 191 18 O 1S 0.00051 -0.00122 -0.00092 0.00527 -0.00253 192 2S -0.00186 0.00356 0.00099 -0.01098 0.00396 193 2PX 0.00778 -0.01168 -0.00664 0.02960 -0.01789 194 2PY 0.00439 0.00420 -0.00726 0.00506 0.00253 195 2PZ 0.00605 -0.01075 -0.01256 0.03457 -0.00769 196 3S 0.00115 0.00032 0.00518 -0.03451 0.02136 197 3PX 0.00535 -0.00931 -0.00802 0.02467 -0.01866 198 3PY 0.00432 -0.00004 -0.00965 0.00221 0.00144 199 3PZ 0.00334 -0.00612 -0.01023 0.02914 -0.00754 200 4XX -0.00036 0.00011 -0.00023 0.00118 -0.00080 201 4YY 0.00012 -0.00007 -0.00117 0.00161 -0.00115 202 4ZZ -0.00029 0.00001 -0.00049 0.00041 -0.00095 203 4XY -0.00009 -0.00009 0.00036 0.00047 -0.00010 204 4XZ -0.00010 0.00021 0.00014 0.00012 0.00021 205 4YZ -0.00012 -0.00012 0.00030 0.00038 0.00008 206 19 O 1S -0.00238 0.00499 0.00481 0.01075 0.00068 207 2S 0.00485 -0.01121 -0.01476 -0.02530 -0.00494 208 2PX -0.02405 0.03599 0.04864 0.07128 0.04290 209 2PY -0.01392 0.02758 0.04557 0.04914 0.01227 210 2PZ -0.01094 0.01870 0.04338 0.02575 -0.02652 211 3S 0.00723 -0.00882 -0.00493 -0.04952 0.01138 212 3PX -0.01694 0.02823 0.03933 0.06153 0.03585 213 3PY -0.00798 0.01462 0.02515 0.03703 0.00052 214 3PZ -0.00816 0.01498 0.03685 0.02315 -0.01934 215 4XX -0.00059 0.00062 -0.00046 0.00167 -0.00051 216 4YY 0.00027 -0.00107 -0.00151 0.00099 -0.00095 217 4ZZ -0.00077 0.00047 -0.00009 0.00095 -0.00167 218 4XY -0.00013 0.00031 0.00198 0.00074 0.00056 219 4XZ 0.00009 0.00016 -0.00022 0.00055 -0.00040 220 4YZ -0.00011 0.00004 0.00081 0.00045 0.00116 221 20 H 1S -0.05247 0.10088 0.00487 -0.00519 -0.26495 222 2S -0.00623 0.01665 0.00530 -0.00522 -0.21904 223 21 H 1S 0.00885 -0.01943 -0.00514 0.03411 0.00700 224 2S 0.01079 -0.02032 -0.00959 0.05884 0.00846 225 22 H 1S -0.00685 0.01334 0.00113 -0.03346 0.01377 226 2S -0.00888 0.01641 -0.00257 -0.05658 0.03005 227 23 H 1S -0.00036 0.00051 -0.00111 -0.00167 0.00103 228 2S 0.00140 -0.00525 0.00762 -0.00360 -0.00893 229 24 H 1S -0.00072 0.00330 -0.00138 -0.00024 0.00111 230 2S -0.00236 0.00675 -0.00137 0.00190 0.00069 231 25 H 1S -0.00077 -0.00153 -0.00336 0.00302 0.00147 232 2S 0.00126 -0.00591 0.00562 -0.00107 -0.00364 233 26 H 1S 0.00179 -0.00483 0.00835 -0.00309 -0.00362 234 2S 0.00378 -0.00920 0.01708 -0.01004 -0.01040 81 82 83 84 85 81 3S 0.53557 82 3PX 0.05337 0.12023 83 3PY 0.01321 0.00072 0.09321 84 3PZ 0.06887 0.00553 0.00897 0.11634 85 4XX -0.00357 -0.00155 0.00408 0.00443 0.00132 86 4YY -0.00935 -0.00007 -0.00345 0.00312 -0.00001 87 4ZZ -0.00049 0.00128 -0.00062 -0.01090 -0.00066 88 4XY 0.00061 0.00513 0.00252 0.00002 0.00025 89 4XZ 0.00027 0.00332 0.00003 0.00197 0.00016 90 4YZ -0.00007 0.00031 0.00339 0.00035 0.00025 91 7 C 1S 0.01414 0.00625 -0.00737 -0.00370 -0.00435 92 2S 0.01703 -0.03085 0.01388 0.02289 0.00823 93 2PX 0.12527 -0.12161 0.05061 0.05183 -0.00166 94 2PY -0.05978 0.05715 0.01068 -0.01624 -0.00678 95 2PZ -0.04049 0.06504 -0.02809 -0.00197 -0.00696 96 3S -0.03032 -0.00438 0.00467 0.01215 0.00675 97 3PX -0.00044 -0.05320 0.01914 0.00440 -0.00085 98 3PY -0.00980 0.01691 -0.00018 -0.00009 -0.00220 99 3PZ -0.02735 0.02736 -0.01727 -0.00519 -0.00383 100 4XX 0.01295 -0.00348 0.00359 0.00333 0.00012 101 4YY -0.00625 0.00190 -0.00251 -0.00110 0.00003 102 4ZZ -0.00508 0.00331 -0.00136 -0.00379 -0.00052 103 4XY -0.00551 0.00382 0.00181 -0.00158 0.00037 104 4XZ -0.00713 0.00355 -0.00192 0.00345 0.00011 105 4YZ 0.00175 -0.00275 -0.00146 -0.00086 0.00010 106 8 C 1S 0.01100 -0.00735 -0.00257 -0.00176 -0.00166 107 2S -0.02009 0.00946 -0.00473 0.00105 0.00324 108 2PX -0.05741 0.02587 -0.02523 -0.01083 0.00927 109 2PY 0.00684 -0.00113 0.00477 0.00650 0.00538 110 2PZ 0.03010 0.00337 0.00538 -0.01426 0.00195 111 3S -0.02940 0.01089 -0.00903 0.00520 0.00388 112 3PX -0.02691 0.01252 -0.01338 -0.00731 0.00419 113 3PY -0.01148 0.00635 0.00639 -0.00039 0.00202 114 3PZ 0.01630 -0.00001 0.00408 -0.01264 0.00072 115 4XX 0.00547 -0.00601 0.00147 0.00121 0.00004 116 4YY -0.00137 0.00249 -0.00043 -0.00075 0.00006 117 4ZZ -0.00296 0.00215 -0.00037 0.00035 -0.00021 118 4XY -0.00076 -0.00019 -0.00084 0.00026 0.00050 119 4XZ -0.00229 0.00164 -0.00043 0.00015 0.00023 120 4YZ 0.00075 0.00076 -0.00045 0.00001 0.00009 121 9 C 1S 0.00586 -0.00592 -0.00147 0.00252 0.00005 122 2S -0.01882 0.01190 0.00690 -0.00447 -0.00009 123 2PX -0.02585 0.00576 0.02344 -0.00786 0.00028 124 2PY -0.03846 0.01786 -0.00270 -0.01704 -0.00115 125 2PZ -0.02925 0.00729 0.00250 0.00012 -0.00041 126 3S -0.02562 0.03413 0.01251 -0.00943 -0.00091 127 3PX -0.00793 0.00608 0.01146 -0.00252 0.00005 128 3PY -0.01631 0.00999 0.00401 -0.00843 -0.00094 129 3PZ -0.00638 0.00318 0.00272 0.00198 0.00030 130 4XX -0.00073 -0.00007 0.00018 -0.00004 -0.00025 131 4YY 0.00081 0.00005 -0.00043 -0.00014 0.00021 132 4ZZ 0.00096 -0.00080 -0.00023 0.00031 0.00002 133 4XY -0.00264 0.00041 -0.00035 -0.00042 0.00014 134 4XZ -0.00084 0.00031 0.00120 -0.00048 -0.00009 135 4YZ 0.00203 -0.00112 0.00215 -0.00023 0.00009 136 10 H 1S 0.02545 -0.00882 0.00776 0.00431 0.00114 137 2S 0.03364 -0.01581 0.01008 0.00460 0.00168 138 11 H 1S -0.00240 0.00243 -0.00970 0.00515 0.00005 139 2S -0.00224 -0.00049 -0.01165 0.00523 0.00016 140 12 H 1S 0.03943 -0.02318 0.01732 0.00631 -0.00275 141 2S 0.04700 -0.03737 0.01760 0.00552 -0.00283 142 13 H 1S -0.03095 0.00742 -0.00575 0.00689 -0.00069 143 2S -0.02478 0.01081 -0.00399 -0.00209 -0.00201 144 14 H 1S -0.04058 0.02540 0.00181 -0.00487 0.00016 145 2S -0.05844 0.02361 -0.01319 -0.01339 -0.00242 146 15 C 1S 0.01244 -0.00535 -0.00979 -0.00713 -0.00344 147 2S 0.00575 0.02699 0.02403 0.02412 0.00651 148 2PX -0.11297 -0.07240 -0.06343 -0.03872 0.00037 149 2PY -0.10629 -0.08249 -0.02328 -0.04401 -0.00604 150 2PZ -0.03676 -0.05052 -0.04297 -0.00755 -0.00374 151 3S -0.02287 0.03596 0.03072 0.01534 0.00542 152 3PX 0.06547 0.01856 0.00596 0.01441 -0.00001 153 3PY 0.02899 -0.00589 0.00174 -0.00265 -0.00206 154 3PZ 0.03031 0.00546 -0.00676 0.00026 -0.00286 155 4XX 0.01153 -0.00008 0.00397 0.00334 0.00025 156 4YY -0.00548 -0.00102 -0.00624 -0.00158 -0.00029 157 4ZZ 0.00268 0.00090 0.00106 -0.00265 -0.00036 158 4XY 0.03457 0.01185 0.00625 0.01140 0.00001 159 4XZ 0.00127 -0.00084 0.00064 -0.00400 -0.00005 160 4YZ 0.01620 0.01047 0.00157 -0.00097 -0.00046 161 16 O 1S 0.00094 0.00181 0.00292 0.00100 -0.00063 162 2S -0.00936 -0.00592 -0.00802 -0.00364 0.00106 163 2PX 0.14770 0.08734 0.04636 0.03181 -0.00312 164 2PY -0.02495 -0.02817 -0.00305 -0.01052 0.00052 165 2PZ 0.13606 0.02720 0.04298 0.03438 -0.00613 166 3S -0.00821 -0.02528 -0.02558 -0.00971 -0.00087 167 3PX 0.09828 0.06417 0.03299 0.02316 -0.00142 168 3PY -0.03141 -0.02287 0.00559 -0.01090 0.00007 169 3PZ 0.09840 0.02203 0.02861 0.02632 -0.00336 170 4XX -0.00323 -0.00179 0.00008 0.00073 0.00021 171 4YY 0.00126 -0.00029 0.00086 -0.00075 -0.00014 172 4ZZ -0.00024 0.00205 0.00101 -0.00065 0.00011 173 4XY -0.00166 -0.00035 0.00039 -0.00058 0.00000 174 4XZ -0.00402 0.00105 -0.00171 -0.00019 0.00045 175 4YZ -0.00106 0.00037 -0.00035 -0.00073 -0.00003 176 17 C 1S -0.00041 0.00187 -0.00778 0.00301 -0.00049 177 2S -0.02117 -0.01703 0.02078 -0.01470 0.00103 178 2PX 0.02846 0.01641 -0.04259 0.01126 -0.00110 179 2PY -0.04064 -0.00649 0.00973 -0.00408 -0.00065 180 2PZ 0.03096 0.01357 -0.02624 0.00847 -0.00154 181 3S -0.02403 -0.01242 0.03399 -0.02285 0.00062 182 3PX -0.00389 0.00692 0.00803 0.00308 -0.00006 183 3PY -0.01479 0.00515 0.00341 0.00299 0.00045 184 3PZ -0.00493 0.00499 0.00591 -0.00042 -0.00057 185 4XX -0.00100 0.00111 0.00441 -0.00061 -0.00015 186 4YY 0.00623 -0.00042 -0.00419 0.00269 -0.00009 187 4ZZ -0.00467 -0.00001 -0.00089 -0.00090 0.00015 188 4XY 0.00176 0.00187 0.00450 -0.00035 0.00006 189 4XZ -0.00256 -0.00066 0.00134 -0.00018 -0.00001 190 4YZ -0.00042 -0.00064 0.00656 -0.00059 -0.00008 191 18 O 1S -0.00066 0.00146 0.00444 -0.00077 0.00009 192 2S 0.00383 -0.00404 -0.01224 0.00085 -0.00038 193 2PX -0.11331 -0.02622 0.05669 -0.03591 0.00076 194 2PY -0.09117 -0.01305 0.01516 -0.03049 0.00170 195 2PZ -0.06858 -0.00498 0.04119 -0.01343 0.00155 196 3S 0.00002 -0.00366 -0.02172 0.00931 0.00011 197 3PX -0.07549 -0.01951 0.04027 -0.02668 0.00051 198 3PY -0.06754 -0.01189 0.01154 -0.02135 0.00143 199 3PZ -0.04303 -0.00298 0.02804 -0.01060 0.00111 200 4XX 0.00274 0.00064 0.00014 0.00045 -0.00005 201 4YY -0.00556 -0.00097 0.00174 -0.00196 0.00005 202 4ZZ 0.00214 -0.00033 -0.00042 -0.00004 -0.00008 203 4XY -0.00075 -0.00016 0.00084 -0.00016 -0.00001 204 4XZ 0.00455 0.00067 -0.00101 0.00104 -0.00002 205 4YZ 0.00062 0.00031 0.00061 0.00064 -0.00001 206 19 O 1S 0.00243 -0.00136 -0.00074 0.00050 -0.00016 207 2S -0.01107 -0.00161 0.00471 -0.00412 0.00027 208 2PX 0.27882 0.08729 0.04849 0.10442 0.00501 209 2PY 0.10419 0.06360 0.02361 0.01872 0.00079 210 2PZ 0.10682 0.05694 -0.01111 -0.01122 -0.00534 211 3S -0.01031 0.00766 -0.00467 -0.00000 0.00078 212 3PX 0.19003 0.05928 0.03735 0.07297 0.00360 213 3PY 0.05882 0.03596 0.01870 0.00805 0.00037 214 3PZ 0.07277 0.04295 -0.00515 -0.00851 -0.00311 215 4XX 0.00176 0.00050 0.00059 -0.00004 -0.00008 216 4YY -0.00512 -0.00347 -0.00014 -0.00065 0.00010 217 4ZZ 0.00342 0.00111 0.00003 -0.00007 -0.00011 218 4XY -0.00902 -0.00181 -0.00042 -0.00348 -0.00023 219 4XZ 0.00096 0.00002 0.00054 0.00021 0.00003 220 4YZ -0.00267 -0.00060 0.00173 0.00108 0.00034 221 20 H 1S 0.08237 0.01687 -0.00661 -0.12912 -0.00808 222 2S -0.01236 0.01412 -0.00490 -0.10514 -0.00665 223 21 H 1S -0.03982 -0.00574 0.01216 0.00932 0.00191 224 2S -0.02798 -0.00729 0.01654 0.01329 0.00284 225 22 H 1S 0.04439 0.00193 -0.03364 0.00992 0.00038 226 2S 0.05458 0.00207 -0.04510 0.02118 0.00030 227 23 H 1S 0.00076 -0.00114 -0.00280 0.00099 -0.00020 228 2S -0.00886 0.00766 -0.00309 -0.00242 -0.00123 229 24 H 1S 0.00326 0.00271 -0.00160 -0.00420 0.00043 230 2S 0.00860 0.00368 0.00034 -0.00767 -0.00009 231 25 H 1S 0.00759 -0.00580 0.00520 0.00882 -0.00018 232 2S -0.00106 0.00134 0.00168 0.00744 -0.00061 233 26 H 1S -0.01209 0.01493 -0.00120 0.00116 -0.00073 234 2S -0.01974 0.02029 -0.00526 -0.00247 -0.00150 86 87 88 89 90 86 4YY 0.00134 87 4ZZ -0.00056 0.00180 88 4XY -0.00014 -0.00005 0.00119 89 4XZ 0.00024 -0.00040 0.00022 0.00069 90 4YZ -0.00022 -0.00000 0.00022 -0.00007 0.00066 91 7 C 1S 0.00098 0.00132 0.00308 0.00255 -0.00123 92 2S -0.00290 -0.00332 -0.00540 -0.00490 0.00212 93 2PX -0.00423 -0.00178 -0.00745 -0.00667 0.00399 94 2PY 0.00804 0.00111 -0.00682 0.00284 0.00015 95 2PZ -0.00069 0.00887 0.00276 -0.00653 0.00204 96 3S -0.00118 -0.00262 -0.00503 -0.00594 0.00198 97 3PX -0.00100 -0.00022 -0.00321 -0.00287 0.00212 98 3PY 0.00364 -0.00052 -0.00338 0.00165 0.00054 99 3PZ 0.00072 0.00370 0.00124 -0.00299 0.00051 100 4XX -0.00032 -0.00031 0.00019 0.00013 0.00014 101 4YY 0.00058 -0.00035 -0.00025 0.00044 -0.00031 102 4ZZ -0.00015 0.00087 0.00015 -0.00029 0.00009 103 4XY -0.00017 0.00009 0.00061 0.00019 0.00018 104 4XZ 0.00026 -0.00028 0.00009 0.00018 0.00001 105 4YZ -0.00029 0.00013 0.00021 -0.00009 0.00001 106 8 C 1S 0.00026 0.00053 -0.00105 -0.00073 -0.00020 107 2S -0.00074 -0.00145 0.00225 0.00140 0.00021 108 2PX -0.00197 -0.00361 0.00520 0.00254 -0.00070 109 2PY -0.00244 -0.00144 0.00279 0.00102 -0.00100 110 2PZ -0.00095 -0.00073 0.00055 -0.00061 -0.00077 111 3S -0.00084 -0.00212 0.00300 0.00240 0.00100 112 3PX -0.00079 -0.00166 0.00265 0.00176 -0.00034 113 3PY -0.00062 -0.00061 0.00202 0.00121 -0.00028 114 3PZ -0.00063 0.00023 0.00048 -0.00003 -0.00031 115 4XX -0.00022 -0.00006 -0.00029 -0.00028 0.00001 116 4YY 0.00020 -0.00011 -0.00009 0.00016 -0.00004 117 4ZZ 0.00003 0.00024 0.00013 -0.00003 0.00009 118 4XY -0.00010 -0.00022 0.00009 0.00004 -0.00003 119 4XZ -0.00009 -0.00003 0.00017 -0.00004 0.00003 120 4YZ -0.00007 0.00006 0.00010 -0.00006 0.00000 121 9 C 1S -0.00012 -0.00020 -0.00005 -0.00022 -0.00015 122 2S -0.00002 0.00067 -0.00030 0.00038 0.00032 123 2PX -0.00098 0.00059 -0.00030 0.00035 0.00073 124 2PY 0.00181 -0.00047 -0.00005 0.00051 0.00026 125 2PZ -0.00067 0.00121 -0.00009 -0.00044 0.00001 126 3S 0.00015 0.00141 -0.00038 0.00136 0.00037 127 3PX -0.00064 0.00048 -0.00018 0.00021 0.00054 128 3PY 0.00169 -0.00060 -0.00028 0.00066 0.00024 129 3PZ -0.00075 0.00044 -0.00002 -0.00025 0.00026 130 4XX 0.00005 0.00018 0.00012 -0.00013 -0.00010 131 4YY -0.00009 -0.00010 0.00010 0.00004 -0.00000 132 4ZZ 0.00001 -0.00004 -0.00016 0.00004 0.00008 133 4XY -0.00002 -0.00001 0.00022 0.00002 -0.00008 134 4XZ 0.00001 0.00004 -0.00013 0.00003 0.00007 135 4YZ -0.00006 -0.00002 0.00002 -0.00000 -0.00001 136 10 H 1S -0.00063 -0.00042 -0.00010 0.00025 0.00016 137 2S -0.00038 -0.00126 -0.00010 0.00027 0.00033 138 11 H 1S -0.00002 0.00048 0.00085 -0.00031 -0.00056 139 2S 0.00031 0.00012 0.00168 -0.00039 -0.00085 140 12 H 1S -0.00015 0.00102 -0.00209 -0.00126 0.00022 141 2S -0.00030 0.00086 -0.00295 -0.00174 0.00003 142 13 H 1S 0.00031 0.00076 0.00079 0.00055 0.00067 143 2S 0.00027 0.00229 0.00062 -0.00021 0.00051 144 14 H 1S 0.00528 -0.00283 -0.00595 0.00243 -0.00080 145 2S 0.00598 -0.00183 -0.00437 0.00307 -0.00211 146 15 C 1S -0.00073 0.00176 -0.00546 -0.00276 -0.00237 147 2S 0.00096 -0.00483 0.01149 0.00571 0.00483 148 2PX -0.00060 0.00505 -0.00931 -0.00598 -0.00569 149 2PY 0.00730 0.00370 -0.00446 -0.00573 -0.00198 150 2PZ 0.00030 0.00446 -0.00621 0.00205 0.00220 151 3S -0.00059 -0.00363 0.01008 0.00411 0.00484 152 3PX -0.00197 0.00084 -0.00290 -0.00202 -0.00219 153 3PY -0.00028 0.00195 -0.00255 -0.00212 -0.00046 154 3PZ -0.00043 0.00252 -0.00194 0.00141 0.00146 155 4XX -0.00052 -0.00019 -0.00041 -0.00022 0.00007 156 4YY 0.00047 -0.00002 -0.00031 0.00011 -0.00036 157 4ZZ -0.00038 0.00061 -0.00028 -0.00021 -0.00009 158 4XY -0.00030 -0.00060 0.00041 0.00019 -0.00003 159 4XZ -0.00034 0.00055 0.00006 0.00008 0.00013 160 4YZ -0.00028 0.00039 0.00027 0.00021 0.00029 161 16 O 1S -0.00068 -0.00040 -0.00035 0.00011 -0.00020 162 2S 0.00116 0.00132 0.00048 -0.00082 0.00054 163 2PX 0.00360 -0.00333 0.00142 -0.00231 -0.00165 164 2PY -0.00040 0.00306 -0.00223 0.00148 -0.00073 165 2PZ 0.00142 0.00244 0.00138 0.00100 0.00097 166 3S 0.00450 0.00054 0.00070 -0.00217 -0.00032 167 3PX 0.00147 -0.00200 0.00101 -0.00078 -0.00075 168 3PY -0.00005 0.00193 -0.00167 0.00082 -0.00053 169 3PZ 0.00037 0.00152 0.00120 0.00095 0.00054 170 4XX -0.00032 0.00011 0.00011 0.00041 0.00020 171 4YY 0.00003 0.00015 -0.00018 -0.00025 -0.00001 172 4ZZ -0.00009 -0.00004 0.00010 -0.00020 0.00001 173 4XY -0.00015 0.00004 -0.00029 -0.00003 -0.00019 174 4XZ -0.00008 -0.00030 0.00017 0.00018 0.00000 175 4YZ -0.00008 0.00001 -0.00014 0.00004 0.00002 176 17 C 1S 0.00079 -0.00114 0.00164 -0.00025 0.00056 177 2S -0.00173 0.00277 -0.00367 0.00036 -0.00144 178 2PX 0.00284 -0.00388 0.00513 -0.00254 0.00369 179 2PY -0.00070 0.00043 -0.00070 0.00038 -0.00067 180 2PZ 0.00169 -0.00085 0.00460 -0.00138 0.00137 181 3S -0.00421 0.00492 -0.00330 -0.00132 0.00018 182 3PX 0.00107 -0.00140 0.00130 0.00015 0.00057 183 3PY -0.00040 -0.00054 -0.00074 0.00075 -0.00047 184 3PZ 0.00083 0.00008 0.00129 -0.00033 0.00032 185 4XX -0.00002 0.00014 -0.00006 0.00010 -0.00044 186 4YY 0.00004 -0.00009 0.00048 -0.00003 0.00032 187 4ZZ 0.00017 -0.00025 -0.00025 -0.00000 0.00010 188 4XY 0.00007 -0.00002 0.00021 -0.00025 0.00022 189 4XZ 0.00015 -0.00003 -0.00037 0.00023 -0.00019 190 4YZ -0.00009 0.00027 -0.00011 -0.00002 0.00008 191 18 O 1S -0.00016 0.00026 -0.00005 -0.00005 0.00004 192 2S 0.00060 -0.00040 0.00026 -0.00029 0.00008 193 2PX -0.00293 0.00303 -0.00248 0.00097 -0.00159 194 2PY -0.00004 0.00036 -0.00074 -0.00076 0.00089 195 2PZ -0.00079 -0.00010 -0.00252 0.00049 -0.00011 196 3S 0.00044 -0.00179 -0.00113 0.00132 -0.00129 197 3PX -0.00222 0.00265 -0.00162 0.00043 -0.00103 198 3PY -0.00023 0.00020 -0.00113 -0.00013 0.00021 199 3PZ -0.00049 0.00006 -0.00145 -0.00008 0.00039 200 4XX 0.00005 0.00004 0.00006 -0.00006 0.00004 201 4YY 0.00001 0.00008 0.00005 -0.00012 0.00011 202 4ZZ 0.00001 0.00009 0.00008 -0.00008 0.00005 203 4XY -0.00005 0.00002 -0.00000 0.00003 -0.00003 204 4XZ 0.00006 -0.00003 0.00005 -0.00002 0.00002 205 4YZ -0.00001 -0.00002 -0.00006 0.00006 -0.00003 206 19 O 1S -0.00088 -0.00010 -0.00020 -0.00013 0.00010 207 2S 0.00200 0.00057 0.00036 -0.00011 -0.00019 208 2PX -0.00761 -0.00303 -0.00112 -0.00200 -0.00113 209 2PY -0.00735 0.00121 -0.00270 0.00234 0.00052 210 2PZ -0.00253 0.00667 -0.00065 0.00377 0.00490 211 3S 0.00098 -0.00024 -0.00119 0.00175 -0.00121 212 3PX -0.00498 -0.00251 0.00016 -0.00096 -0.00015 213 3PY -0.00397 0.00109 -0.00103 0.00093 0.00066 214 3PZ -0.00190 0.00417 0.00015 0.00252 0.00319 215 4XX -0.00010 0.00007 -0.00009 -0.00008 0.00004 216 4YY 0.00037 -0.00010 0.00041 -0.00019 0.00009 217 4ZZ -0.00019 0.00020 -0.00009 -0.00006 0.00004 218 4XY 0.00037 0.00002 0.00029 0.00023 0.00020 219 4XZ -0.00004 -0.00001 -0.00001 -0.00005 -0.00004 220 4YZ 0.00005 -0.00040 0.00015 -0.00022 -0.00029 221 20 H 1S -0.00867 0.01637 -0.00002 -0.00379 -0.00007 222 2S -0.00647 0.01467 -0.00013 -0.00387 0.00016 223 21 H 1S 0.00582 -0.00457 -0.00077 -0.00092 0.00453 224 2S 0.00250 -0.00374 0.00039 -0.00107 0.00550 225 22 H 1S -0.00018 -0.00101 -0.00199 0.00057 0.00049 226 2S 0.00055 -0.00233 -0.00220 0.00044 0.00007 227 23 H 1S -0.00010 0.00079 0.00054 -0.00099 -0.00001 228 2S -0.00046 0.00241 0.00099 -0.00191 -0.00017 229 24 H 1S 0.00027 -0.00047 0.00046 0.00046 -0.00070 230 2S 0.00042 -0.00010 0.00027 0.00107 -0.00053 231 25 H 1S -0.00073 -0.00009 -0.00018 -0.00013 0.00044 232 2S -0.00082 0.00045 -0.00039 -0.00016 0.00064 233 26 H 1S 0.00000 0.00087 -0.00026 -0.00100 0.00034 234 2S 0.00021 0.00182 -0.00041 -0.00151 0.00042 91 92 93 94 95 91 7 C 1S 2.05281 92 2S -0.05067 0.30956 93 2PX 0.00377 -0.00560 0.37395 94 2PY -0.00562 -0.00205 0.00239 0.40880 95 2PZ -0.00066 -0.00155 0.00692 -0.00460 0.39982 96 3S -0.21733 0.28999 -0.02046 0.05036 0.05064 97 3PX -0.00029 -0.00969 0.15054 0.00501 0.01097 98 3PY 0.01093 0.00546 0.00363 0.15737 -0.01183 99 3PZ -0.00934 -0.00106 -0.00138 0.00498 0.17957 100 4XX -0.01363 -0.00673 0.00901 -0.00996 -0.00833 101 4YY -0.01648 -0.00065 -0.00854 0.01241 -0.01260 102 4ZZ -0.01421 -0.00611 -0.00062 0.00106 0.01883 103 4XY 0.00072 -0.00143 -0.01138 -0.00866 0.00082 104 4XZ -0.00034 0.00056 -0.00688 0.00116 0.00032 105 4YZ 0.00138 -0.00261 0.00113 -0.01245 0.00014 106 8 C 1S 0.01037 -0.01794 0.04198 0.04269 0.02019 107 2S -0.01954 0.02952 -0.08366 -0.08289 -0.04301 108 2PX -0.04390 0.09285 -0.14303 -0.14886 -0.07636 109 2PY -0.03855 0.08468 -0.14960 -0.13237 -0.07518 110 2PZ -0.02005 0.04039 -0.06648 -0.06731 -0.02445 111 3S 0.01580 0.00549 -0.09082 -0.12621 -0.04517 112 3PX -0.00668 0.02917 -0.07249 -0.07460 -0.04146 113 3PY -0.00687 0.01974 -0.07659 -0.05129 -0.04332 114 3PZ -0.00204 0.01217 -0.03127 -0.03568 -0.00988 115 4XX -0.00144 0.00277 0.00686 -0.00626 -0.00425 116 4YY -0.00196 0.00283 -0.00439 0.00825 -0.00331 117 4ZZ 0.00141 -0.00321 0.00268 0.00338 0.00940 118 4XY -0.00468 0.00912 -0.00635 -0.00550 -0.00511 119 4XZ -0.00189 0.00402 -0.00329 -0.00459 0.00420 120 4YZ -0.00205 0.00397 -0.00500 -0.00349 0.00430 121 9 C 1S -0.00197 0.00521 -0.00191 -0.01098 0.00058 122 2S 0.00459 -0.01051 0.00847 0.02329 0.00196 123 2PX 0.00191 -0.01101 0.00420 0.00555 0.00667 124 2PY 0.00882 -0.03071 0.02542 0.04679 0.00392 125 2PZ -0.00125 0.00197 -0.00405 -0.01057 0.00196 126 3S -0.00268 -0.01948 -0.01209 0.07826 -0.01306 127 3PX -0.00019 -0.00744 0.00098 0.00341 0.01115 128 3PY 0.00412 -0.02132 0.01894 0.05503 -0.00404 129 3PZ -0.00179 0.00247 -0.00054 -0.01758 -0.00076 130 4XX 0.00030 -0.00101 0.00117 0.00227 0.00131 131 4YY -0.00116 0.00219 -0.00404 -0.00558 -0.00180 132 4ZZ 0.00014 -0.00023 0.00189 0.00150 0.00039 133 4XY -0.00067 0.00140 -0.00334 -0.00358 -0.00144 134 4XZ 0.00079 -0.00224 0.00291 0.00369 0.00121 135 4YZ -0.00018 0.00059 -0.00083 -0.00116 -0.00085 136 10 H 1S -0.00262 0.01019 -0.00979 -0.01445 -0.00772 137 2S -0.00370 0.01200 -0.00791 -0.02744 -0.01492 138 11 H 1S -0.00283 0.01106 -0.01455 -0.01397 -0.00351 139 2S -0.00409 0.01254 -0.01863 -0.02273 0.00114 140 12 H 1S 0.00833 -0.02114 0.03162 0.00880 0.00134 141 2S 0.01117 -0.02399 0.06529 0.01561 -0.00368 142 13 H 1S 0.00754 -0.01905 0.01463 0.01653 0.02909 143 2S 0.00965 -0.02184 0.02634 0.03559 0.06581 144 14 H 1S -0.05504 0.10200 -0.05093 0.24519 -0.09447 145 2S -0.01201 0.02025 -0.04495 0.20925 -0.07980 146 15 C 1S -0.00289 0.00569 0.01291 0.00219 0.00023 147 2S 0.00547 -0.01219 -0.03202 -0.00531 -0.00249 148 2PX -0.00870 0.02203 0.02972 0.01066 0.00470 149 2PY -0.00360 0.00740 0.02788 0.00106 0.00159 150 2PZ -0.00200 0.00651 0.02842 -0.00171 -0.00943 151 3S 0.00868 -0.01910 -0.05156 -0.02724 -0.01342 152 3PX -0.00666 0.01387 0.01236 0.01645 0.00522 153 3PY -0.00054 0.00482 0.02783 0.00824 0.01090 154 3PZ 0.00011 -0.00353 -0.00033 0.00892 -0.00291 155 4XX -0.00202 0.00340 0.01087 -0.00078 -0.00272 156 4YY 0.00014 -0.00124 -0.00423 0.00097 0.00010 157 4ZZ -0.00001 0.00003 -0.00193 0.00025 0.00135 158 4XY 0.00004 -0.00015 -0.00066 0.00076 -0.00069 159 4XZ 0.00016 -0.00029 -0.00024 -0.00014 -0.00064 160 4YZ 0.00091 -0.00234 -0.00570 0.00165 0.00148 161 16 O 1S 0.00020 -0.00081 -0.00308 0.00067 -0.00009 162 2S -0.00123 0.00293 0.00971 -0.00283 -0.00036 163 2PX 0.00276 -0.01249 -0.01932 0.00305 0.00386 164 2PY 0.00120 0.00290 0.00262 0.00132 0.00070 165 2PZ 0.00794 -0.00719 -0.03664 0.01053 0.00916 166 3S 0.00102 0.00091 0.02081 -0.00024 0.00598 167 3PX 0.00183 -0.00899 -0.01687 0.00092 0.00067 168 3PY 0.00159 0.00101 0.00414 -0.00274 -0.00010 169 3PZ 0.00479 -0.00390 -0.02835 0.00697 0.00599 170 4XX 0.00012 0.00014 -0.00062 -0.00041 -0.00026 171 4YY -0.00041 0.00047 0.00174 -0.00010 -0.00028 172 4ZZ -0.00024 -0.00002 -0.00012 -0.00027 0.00033 173 4XY -0.00031 0.00041 0.00066 0.00030 -0.00002 174 4XZ 0.00002 -0.00032 -0.00073 0.00004 -0.00016 175 4YZ -0.00001 -0.00007 0.00028 -0.00031 -0.00015 176 17 C 1S 0.00101 -0.00294 -0.00575 0.00159 0.00115 177 2S -0.00244 0.00754 0.01764 -0.00380 -0.00128 178 2PX 0.00073 -0.00830 -0.01076 0.00528 -0.00058 179 2PY -0.00025 0.00110 -0.00189 0.00472 -0.00004 180 2PZ 0.00259 -0.00833 -0.01914 0.00696 0.00401 181 3S -0.00407 0.01120 0.02441 -0.01291 0.00532 182 3PX 0.00105 -0.00331 -0.00463 -0.00095 -0.00201 183 3PY 0.00127 -0.00192 -0.00790 0.00026 -0.00417 184 3PZ 0.00057 -0.00002 -0.00812 0.00124 0.00363 185 4XX 0.00038 -0.00029 -0.00136 0.00002 0.00053 186 4YY 0.00030 -0.00013 -0.00045 -0.00008 0.00064 187 4ZZ -0.00010 0.00008 0.00121 -0.00013 -0.00007 188 4XY -0.00029 0.00058 0.00137 -0.00119 -0.00021 189 4XZ 0.00020 -0.00016 -0.00063 0.00061 0.00017 190 4YZ -0.00009 0.00075 0.00065 -0.00073 -0.00014 191 18 O 1S -0.00021 0.00082 0.00080 -0.00107 0.00016 192 2S 0.00033 -0.00167 -0.00072 0.00220 0.00065 193 2PX -0.00124 0.00511 0.00266 -0.00549 -0.00149 194 2PY -0.00233 0.00102 0.01065 -0.00375 -0.00375 195 2PZ -0.00294 0.00592 0.01835 -0.00719 -0.00445 196 3S 0.00170 -0.00448 -0.00777 0.00765 -0.00594 197 3PX -0.00125 0.00454 0.00331 -0.00500 0.00037 198 3PY -0.00181 0.00131 0.00920 -0.00215 -0.00382 199 3PZ -0.00248 0.00461 0.01558 -0.00700 -0.00180 200 4XX -0.00002 0.00016 0.00044 -0.00032 0.00040 201 4YY -0.00026 0.00026 0.00099 -0.00022 0.00008 202 4ZZ -0.00001 0.00008 0.00013 -0.00015 0.00031 203 4XY 0.00003 0.00006 -0.00029 -0.00009 0.00012 204 4XZ 0.00007 -0.00012 -0.00001 0.00010 0.00000 205 4YZ 0.00002 0.00009 0.00010 -0.00019 0.00017 206 19 O 1S -0.00041 0.00061 0.00160 0.00203 -0.00044 207 2S 0.00113 -0.00141 -0.00126 -0.00596 0.00242 208 2PX -0.00896 0.02406 0.03353 0.01503 -0.01236 209 2PY 0.00010 0.00007 -0.00052 -0.00259 -0.00103 210 2PZ 0.00503 -0.01463 -0.03515 0.01123 0.00220 211 3S -0.00053 -0.00152 -0.01354 -0.00354 -0.00426 212 3PX -0.00503 0.01433 0.02322 0.00685 -0.01011 213 3PY 0.00044 -0.00028 0.00141 -0.00244 0.00036 214 3PZ 0.00403 -0.01040 -0.02740 0.00617 0.00229 215 4XX -0.00015 0.00034 0.00127 0.00054 0.00021 216 4YY 0.00024 0.00001 0.00069 -0.00079 0.00079 217 4ZZ 0.00011 0.00002 0.00029 -0.00048 0.00058 218 4XY 0.00054 -0.00151 -0.00252 -0.00078 0.00046 219 4XZ -0.00007 0.00017 0.00037 0.00013 -0.00032 220 4YZ -0.00030 0.00058 0.00075 -0.00024 0.00014 221 20 H 1S 0.00724 -0.01883 -0.01347 0.00670 0.02918 222 2S 0.00817 -0.01739 -0.02405 0.01537 0.06702 223 21 H 1S -0.00319 0.00924 0.01504 -0.00877 -0.00839 224 2S -0.00410 0.01034 0.02145 -0.02109 -0.01681 225 22 H 1S -0.00266 0.00872 0.00253 -0.00744 0.00171 226 2S -0.00241 0.01328 0.00035 -0.02103 0.00126 227 23 H 1S -0.00707 0.01556 0.00041 -0.00278 0.04108 228 2S -0.01134 0.02013 -0.00061 0.00178 0.08555 229 24 H 1S 0.00298 -0.00668 -0.00328 -0.01009 -0.01174 230 2S 0.00264 -0.00652 -0.00444 -0.00229 -0.00985 231 25 H 1S 0.00373 -0.00708 0.00756 -0.00744 -0.01113 232 2S 0.00258 -0.00546 -0.00093 -0.00146 -0.01320 233 26 H 1S -0.00859 0.01745 -0.00248 0.01156 0.03480 234 2S -0.01243 0.02408 -0.00526 0.02766 0.06536 96 97 98 99 100 96 3S 0.32922 97 3PX -0.00653 0.07598 98 3PY 0.01867 0.00086 0.07026 99 3PZ 0.03151 0.00724 -0.00282 0.09073 100 4XX -0.00882 0.00276 -0.00337 -0.00367 0.00149 101 4YY 0.00210 -0.00320 0.00495 -0.00463 -0.00040 102 4ZZ -0.00365 0.00035 -0.00060 0.00716 -0.00041 103 4XY -0.00206 -0.00394 -0.00333 0.00029 0.00005 104 4XZ 0.00084 -0.00277 0.00019 0.00015 -0.00023 105 4YZ -0.00499 0.00032 -0.00374 0.00004 0.00036 106 8 C 1S 0.00272 0.00653 0.01244 0.00099 -0.00189 107 2S 0.00332 -0.02149 -0.02609 -0.00904 0.00292 108 2PX 0.08423 -0.05795 -0.05272 -0.03848 -0.00884 109 2PY 0.04439 -0.07656 -0.05621 -0.04027 0.00595 110 2PZ 0.05309 -0.03110 -0.02529 -0.00068 0.00314 111 3S -0.02940 -0.01934 -0.03732 -0.00962 0.00435 112 3PX 0.02049 -0.02921 -0.02336 -0.02128 -0.00373 113 3PY 0.00340 -0.03508 -0.02369 -0.02043 0.00301 114 3PZ 0.01661 -0.01306 -0.01284 -0.00002 0.00176 115 4XX 0.00069 0.00201 -0.00248 -0.00156 0.00085 116 4YY 0.00463 -0.00238 0.00379 -0.00141 -0.00047 117 4ZZ -0.00285 0.00190 0.00082 0.00343 -0.00040 118 4XY 0.00752 -0.00321 -0.00158 -0.00333 -0.00028 119 4XZ 0.00487 -0.00109 -0.00204 0.00196 -0.00040 120 4YZ 0.00346 -0.00258 -0.00122 0.00194 0.00001 121 9 C 1S -0.00069 -0.00251 -0.00490 -0.00093 0.00070 122 2S 0.00026 0.00723 0.00968 0.00335 -0.00160 123 2PX 0.00741 0.01034 -0.01500 0.02687 -0.00034 124 2PY -0.00053 0.03615 0.01450 0.01862 -0.00461 125 2PZ 0.00033 0.00976 -0.02125 -0.00758 0.00058 126 3S 0.00159 -0.00178 0.02832 -0.00089 -0.00283 127 3PX 0.00220 0.00475 -0.00568 0.01736 0.00014 128 3PY -0.00331 0.01941 0.01955 0.00599 -0.00241 129 3PZ -0.00131 0.00512 -0.01343 -0.00536 0.00069 130 4XX -0.00038 0.00047 -0.00028 0.00032 0.00008 131 4YY 0.00127 -0.00180 -0.00144 -0.00035 0.00009 132 4ZZ -0.00116 0.00042 0.00135 -0.00039 -0.00000 133 4XY 0.00109 -0.00150 -0.00179 -0.00134 -0.00020 134 4XZ -0.00100 0.00218 0.00081 0.00180 -0.00002 135 4YZ 0.00025 -0.00163 -0.00040 -0.00036 0.00024 136 10 H 1S 0.00122 -0.01918 0.00371 -0.00401 0.00176 137 2S -0.00122 -0.01722 -0.00063 -0.00859 0.00278 138 11 H 1S -0.00027 -0.01023 -0.00322 -0.01924 0.00014 139 2S 0.00229 -0.01151 -0.00772 -0.01466 -0.00002 140 12 H 1S -0.03375 0.01302 0.00178 0.00844 0.00892 141 2S -0.03366 0.02290 0.00453 0.00398 0.00801 142 13 H 1S -0.03168 0.01528 0.00634 0.00968 -0.00192 143 2S -0.02169 0.01871 0.01025 0.02412 -0.00334 144 14 H 1S 0.12354 -0.02121 0.09602 -0.03614 -0.00799 145 2S 0.04294 -0.01131 0.07512 -0.02634 -0.00656 146 15 C 1S 0.00462 0.01134 0.00251 0.00049 -0.00158 147 2S -0.01039 -0.02429 -0.00318 -0.00406 0.00313 148 2PX 0.04421 0.00733 -0.00608 -0.00893 -0.00653 149 2PY 0.00938 0.01373 0.00628 0.01523 -0.00286 150 2PZ -0.01743 0.01523 0.01572 -0.01016 -0.00027 151 3S -0.01745 -0.02669 -0.00955 -0.00900 0.00243 152 3PX 0.02211 -0.00813 0.00279 -0.00466 -0.00098 153 3PY 0.00127 0.00968 0.00359 0.00441 -0.00015 154 3PZ -0.01362 -0.00198 0.01228 -0.00333 0.00055 155 4XX 0.00308 0.00493 -0.00030 -0.00180 0.00041 156 4YY 0.00028 -0.00054 0.00070 0.00084 -0.00032 157 4ZZ -0.00214 -0.00182 -0.00025 -0.00003 -0.00016 158 4XY -0.00167 -0.00651 0.00107 -0.00170 0.00051 159 4XZ -0.00212 -0.00031 -0.00022 -0.00070 0.00005 160 4YZ -0.00012 -0.00184 0.00183 0.00062 0.00015 161 16 O 1S 0.00113 -0.00228 0.00096 -0.00023 0.00023 162 2S -0.00047 0.00563 -0.00352 -0.00198 -0.00045 163 2PX 0.00570 0.00236 0.00519 0.01992 0.00243 164 2PY -0.02986 -0.00355 -0.00073 -0.00068 -0.00016 165 2PZ -0.07470 -0.06477 0.01344 0.00154 0.00124 166 3S -0.00999 0.01764 -0.00174 0.00881 -0.00083 167 3PX 0.00465 -0.00071 0.00354 0.00999 0.00178 168 3PY -0.02076 0.00057 -0.00221 0.00164 0.00014 169 3PZ -0.04996 -0.04836 0.00785 -0.00141 0.00070 170 4XX -0.00233 -0.00188 -0.00005 -0.00139 0.00006 171 4YY 0.00155 0.00057 0.00012 0.00001 -0.00001 172 4ZZ 0.00245 0.00084 -0.00062 0.00033 -0.00001 173 4XY 0.00110 0.00057 -0.00001 -0.00022 -0.00008 174 4XZ 0.00279 0.00136 -0.00045 -0.00021 -0.00002 175 4YZ 0.00066 0.00129 0.00014 0.00003 0.00001 176 17 C 1S 0.00084 -0.00274 -0.00039 0.00264 0.00023 177 2S 0.00007 0.00900 -0.00094 -0.00296 -0.00024 178 2PX 0.01935 -0.00428 -0.00141 0.00639 -0.00020 179 2PY 0.00709 -0.00613 0.00032 -0.00368 -0.00049 180 2PZ 0.00199 -0.01085 -0.00030 0.00671 -0.00032 181 3S 0.00606 0.01020 -0.00526 0.00127 -0.00001 182 3PX -0.00010 -0.00074 -0.00151 0.00140 0.00074 183 3PY 0.00236 -0.00094 -0.00089 -0.00196 0.00004 184 3PZ -0.00054 -0.00508 0.00010 0.00236 0.00007 185 4XX -0.00047 -0.00057 -0.00052 0.00075 0.00008 186 4YY -0.00216 -0.00292 0.00024 -0.00077 -0.00006 187 4ZZ 0.00271 0.00287 0.00020 0.00038 0.00002 188 4XY 0.00176 0.00115 -0.00007 -0.00039 0.00009 189 4XZ -0.00116 -0.00014 0.00028 0.00036 0.00004 190 4YZ -0.00262 -0.00111 -0.00014 -0.00040 0.00012 191 18 O 1S -0.00077 0.00029 -0.00026 -0.00050 0.00006 192 2S 0.00210 0.00002 0.00038 0.00181 -0.00012 193 2PX -0.00022 0.00442 -0.01190 0.00055 0.00042 194 2PY 0.02845 0.02963 -0.00870 0.00736 0.00028 195 2PZ 0.02161 0.02476 -0.00088 -0.00369 0.00085 196 3S 0.00046 -0.00222 0.00334 -0.00384 -0.00046 197 3PX -0.00110 0.00294 -0.00878 0.00092 0.00026 198 3PY 0.01915 0.02180 -0.00540 0.00338 0.00013 199 3PZ 0.01669 0.01923 -0.00135 -0.00099 0.00070 200 4XX -0.00026 0.00007 0.00026 0.00012 0.00003 201 4YY 0.00168 0.00139 -0.00054 0.00041 0.00002 202 4ZZ -0.00116 -0.00080 -0.00015 0.00019 -0.00000 203 4XY -0.00044 -0.00058 -0.00014 -0.00007 0.00001 204 4XZ -0.00084 -0.00035 0.00031 -0.00005 -0.00000 205 4YZ -0.00037 -0.00019 0.00021 -0.00020 0.00002 206 19 O 1S 0.00440 -0.00415 0.00127 -0.00194 0.00029 207 2S -0.00883 0.00903 -0.00381 0.00649 -0.00054 208 2PX 0.03185 -0.05233 0.00530 -0.04179 0.00119 209 2PY -0.01381 0.01420 -0.00250 -0.00908 0.00158 210 2PZ -0.00644 -0.01196 0.02761 -0.00852 0.00091 211 3S -0.01109 0.01268 -0.00356 0.00305 -0.00087 212 3PX 0.01721 -0.03551 0.00317 -0.02848 0.00137 213 3PY -0.00837 0.00814 -0.00178 -0.00414 0.00100 214 3PZ -0.00174 -0.00835 0.01678 -0.00524 0.00059 215 4XX 0.00028 0.00068 0.00024 0.00009 0.00004 216 4YY 0.00095 -0.00124 -0.00042 0.00060 -0.00001 217 4ZZ -0.00020 -0.00022 -0.00002 -0.00016 0.00003 218 4XY -0.00241 0.00182 0.00003 0.00201 0.00010 219 4XZ 0.00013 -0.00025 -0.00008 -0.00027 0.00000 220 4YZ 0.00079 -0.00001 -0.00159 0.00049 -0.00004 221 20 H 1S -0.01697 -0.00425 -0.00621 0.01235 -0.00101 222 2S -0.00827 -0.00508 -0.00527 0.02812 -0.00340 223 21 H 1S 0.01243 0.01254 0.00555 -0.00950 0.00093 224 2S 0.00613 0.00993 -0.00010 -0.01540 0.00176 225 22 H 1S 0.00190 -0.00021 0.01085 -0.00253 0.00015 226 2S 0.00541 -0.00275 0.00400 -0.00258 -0.00035 227 23 H 1S 0.03844 -0.00035 0.00463 0.03557 -0.00002 228 2S 0.05030 0.00138 0.00121 0.05566 -0.00128 229 24 H 1S -0.00545 0.00798 -0.00974 -0.00208 0.00033 230 2S -0.00418 0.01038 -0.00442 -0.00114 0.00033 231 25 H 1S -0.01810 -0.00541 -0.00907 -0.00032 0.00055 232 2S -0.01238 -0.00733 -0.00709 -0.00141 0.00043 233 26 H 1S 0.04663 0.00134 -0.00023 0.01831 -0.00089 234 2S 0.05926 0.00124 0.00684 0.03424 -0.00228 101 102 103 104 105 101 4YY 0.00149 102 4ZZ -0.00057 0.00164 103 4XY -0.00007 0.00005 0.00090 104 4XZ 0.00020 0.00002 0.00024 0.00091 105 4YZ -0.00044 0.00012 0.00026 0.00001 0.00091 106 8 C 1S -0.00155 0.00151 -0.00483 -0.00236 -0.00230 107 2S 0.00263 -0.00383 0.00918 0.00460 0.00439 108 2PX 0.00628 -0.00343 0.00619 0.00305 0.00490 109 2PY -0.00647 -0.00324 0.00464 0.00463 0.00294 110 2PZ 0.00334 -0.00955 0.00466 -0.00480 -0.00376 111 3S 0.00123 -0.00391 0.01091 0.00576 0.00640 112 3PX 0.00291 -0.00149 0.00328 0.00136 0.00308 113 3PY -0.00233 -0.00182 0.00263 0.00294 0.00130 114 3PZ 0.00105 -0.00400 0.00229 -0.00318 -0.00184 115 4XX -0.00049 -0.00049 -0.00015 -0.00021 0.00008 116 4YY 0.00072 -0.00031 -0.00011 -0.00006 -0.00043 117 4ZZ -0.00039 0.00096 -0.00015 0.00023 0.00021 118 4XY 0.00011 -0.00020 0.00011 0.00011 0.00011 119 4XZ -0.00003 0.00012 0.00018 0.00007 0.00008 120 4YZ -0.00039 0.00022 0.00013 0.00004 0.00005 121 9 C 1S -0.00176 0.00051 -0.00054 -0.00010 0.00023 122 2S 0.00355 -0.00095 0.00082 0.00033 -0.00059 123 2PX -0.00080 -0.00056 0.00043 0.00148 0.00009 124 2PY 0.00932 -0.00379 0.00288 -0.00180 -0.00153 125 2PZ -0.00302 0.00109 -0.00016 0.00281 0.00093 126 3S 0.00584 -0.00140 0.00049 0.00193 -0.00186 127 3PX -0.00071 0.00005 0.00055 0.00086 0.00035 128 3PY 0.00507 -0.00175 0.00028 -0.00162 -0.00179 129 3PZ -0.00184 0.00058 0.00044 0.00130 0.00096 130 4XX -0.00023 0.00013 -0.00018 0.00010 -0.00002 131 4YY 0.00018 -0.00029 0.00039 -0.00000 0.00009 132 4ZZ -0.00018 0.00024 -0.00020 -0.00002 0.00005 133 4XY 0.00001 0.00002 0.00004 0.00011 0.00015 134 4XZ 0.00006 -0.00002 -0.00003 -0.00002 -0.00009 135 4YZ -0.00027 -0.00007 -0.00012 -0.00025 -0.00015 136 10 H 1S -0.00161 0.00008 -0.00057 -0.00089 -0.00014 137 2S -0.00247 -0.00041 -0.00047 -0.00213 -0.00018 138 11 H 1S -0.00115 0.00129 -0.00034 0.00110 0.00079 139 2S -0.00179 0.00164 -0.00036 0.00065 0.00126 140 12 H 1S -0.00394 -0.00228 0.00089 -0.00059 -0.00101 141 2S -0.00417 -0.00194 -0.00180 -0.00240 -0.00122 142 13 H 1S -0.00193 0.00635 0.00026 0.00440 0.00388 143 2S -0.00310 0.00808 -0.00167 0.00187 0.00201 144 14 H 1S 0.01255 -0.00576 -0.00478 0.00186 -0.00938 145 2S 0.01186 -0.00405 -0.00422 0.00172 -0.00855 146 15 C 1S 0.00007 0.00023 -0.00156 -0.00064 0.00010 147 2S -0.00044 -0.00102 0.00335 0.00101 -0.00037 148 2PX 0.00231 0.00288 -0.00470 -0.00157 0.00032 149 2PY 0.00095 0.00107 -0.00279 -0.00078 0.00035 150 2PZ 0.00027 -0.00042 -0.00156 -0.00033 0.00054 151 3S -0.00038 -0.00106 0.00554 0.00326 0.00181 152 3PX 0.00004 0.00050 -0.00157 -0.00027 -0.00100 153 3PY -0.00073 0.00059 -0.00119 -0.00100 -0.00037 154 3PZ 0.00003 -0.00027 0.00002 0.00050 -0.00014 155 4XX -0.00033 -0.00028 -0.00025 -0.00025 -0.00000 156 4YY 0.00032 0.00000 -0.00023 0.00007 -0.00001 157 4ZZ -0.00001 0.00027 0.00011 -0.00009 0.00003 158 4XY -0.00007 -0.00026 0.00007 0.00019 -0.00009 159 4XZ -0.00004 0.00013 0.00009 -0.00028 0.00005 160 4YZ -0.00017 0.00001 0.00027 0.00004 -0.00006 161 16 O 1S -0.00004 -0.00001 0.00017 0.00033 -0.00005 162 2S -0.00005 0.00012 -0.00032 -0.00077 0.00030 163 2PX -0.00144 -0.00226 0.00108 0.00228 -0.00082 164 2PY 0.00079 0.00096 0.00011 -0.00019 0.00009 165 2PZ 0.00124 0.00105 0.00232 0.00074 -0.00027 166 3S 0.00026 0.00001 -0.00165 -0.00274 -0.00019 167 3PX -0.00102 -0.00155 0.00115 0.00197 -0.00036 168 3PY 0.00031 0.00064 0.00022 -0.00006 0.00024 169 3PZ 0.00096 0.00083 0.00171 0.00056 -0.00019 170 4XX 0.00004 0.00008 0.00012 0.00005 0.00004 171 4YY -0.00008 -0.00000 -0.00007 0.00000 0.00003 172 4ZZ -0.00010 0.00001 0.00004 0.00010 0.00002 173 4XY 0.00001 0.00005 -0.00006 -0.00006 -0.00001 174 4XZ -0.00000 -0.00006 -0.00001 0.00000 -0.00002 175 4YZ -0.00005 -0.00003 0.00001 0.00002 0.00002 176 17 C 1S 0.00038 -0.00029 -0.00025 0.00036 -0.00012 177 2S -0.00083 0.00095 0.00026 -0.00126 0.00008 178 2PX 0.00051 -0.00164 -0.00121 0.00134 -0.00006 179 2PY 0.00054 0.00046 -0.00047 -0.00028 -0.00002 180 2PZ 0.00074 -0.00053 -0.00059 0.00058 -0.00021 181 3S -0.00174 0.00121 0.00138 0.00013 0.00137 182 3PX -0.00017 -0.00050 0.00019 0.00070 -0.00026 183 3PY 0.00025 -0.00012 0.00018 0.00077 -0.00001 184 3PZ 0.00016 0.00018 0.00038 0.00045 -0.00012 185 4XX -0.00004 -0.00000 0.00002 -0.00000 -0.00005 186 4YY 0.00009 0.00003 -0.00002 -0.00004 0.00004 187 4ZZ -0.00004 -0.00003 -0.00005 0.00004 -0.00001 188 4XY -0.00022 0.00001 0.00018 -0.00017 0.00002 189 4XZ 0.00007 0.00003 -0.00001 0.00000 -0.00004 190 4YZ -0.00011 0.00012 0.00023 -0.00003 0.00001 191 18 O 1S -0.00012 0.00007 0.00013 -0.00006 0.00006 192 2S 0.00016 -0.00014 -0.00026 0.00024 -0.00013 193 2PX -0.00067 0.00106 0.00090 -0.00033 0.00011 194 2PY -0.00100 -0.00023 -0.00025 -0.00036 -0.00004 195 2PZ -0.00123 0.00032 0.00075 -0.00095 -0.00001 196 3S 0.00105 -0.00037 -0.00080 -0.00006 -0.00053 197 3PX -0.00061 0.00088 0.00074 -0.00036 0.00018 198 3PY -0.00064 -0.00009 -0.00028 -0.00062 -0.00009 199 3PZ -0.00115 0.00016 0.00060 -0.00059 0.00012 200 4XX -0.00004 0.00001 0.00004 0.00000 0.00002 201 4YY -0.00008 0.00002 -0.00000 -0.00004 0.00001 202 4ZZ -0.00001 0.00001 0.00001 0.00005 0.00003 203 4XY 0.00001 0.00002 0.00002 0.00001 0.00000 204 4XZ 0.00000 -0.00001 0.00000 -0.00002 -0.00001 205 4YZ -0.00000 0.00002 0.00003 0.00001 0.00001 206 19 O 1S -0.00009 -0.00006 0.00026 0.00007 -0.00001 207 2S 0.00011 0.00021 -0.00050 -0.00007 0.00009 208 2PX -0.00070 -0.00082 -0.00095 0.00044 -0.00088 209 2PY -0.00157 -0.00051 0.00114 -0.00040 -0.00006 210 2PZ -0.00130 -0.00025 0.00189 -0.00015 -0.00024 211 3S 0.00082 -0.00019 -0.00095 -0.00025 -0.00028 212 3PX -0.00068 -0.00079 -0.00025 0.00033 -0.00044 213 3PY -0.00110 -0.00019 0.00091 -0.00014 0.00010 214 3PZ -0.00098 -0.00012 0.00146 -0.00025 -0.00016 215 4XX -0.00005 -0.00001 -0.00000 -0.00000 0.00000 216 4YY -0.00002 0.00006 0.00002 0.00002 0.00003 217 4ZZ -0.00008 0.00003 0.00004 -0.00000 0.00004 218 4XY -0.00002 -0.00003 0.00017 0.00003 0.00002 219 4XZ 0.00001 -0.00000 -0.00001 -0.00003 -0.00001 220 4YZ 0.00006 0.00002 -0.00004 0.00003 -0.00001 221 20 H 1S -0.00227 0.00586 -0.00003 -0.00537 0.00165 222 2S -0.00244 0.00746 0.00092 -0.00206 0.00102 223 21 H 1S -0.00086 -0.00022 0.00163 0.00063 0.00036 224 2S -0.00148 -0.00064 0.00192 0.00149 0.00081 225 22 H 1S 0.00050 0.00022 -0.00006 -0.00008 0.00006 226 2S 0.00128 -0.00043 -0.00024 0.00023 -0.00044 227 23 H 1S -0.00122 -0.00005 0.00031 -0.00036 0.00230 228 2S -0.00242 0.00178 0.00033 -0.00022 0.00202 229 24 H 1S 0.00054 -0.00048 0.00037 -0.00065 -0.00054 230 2S 0.00042 -0.00051 0.00009 -0.00186 -0.00161 231 25 H 1S 0.00031 -0.00034 -0.00038 0.00080 -0.00024 232 2S 0.00069 -0.00068 0.00003 0.00235 -0.00083 233 26 H 1S -0.00047 -0.00022 -0.00007 0.00050 -0.00210 234 2S -0.00072 0.00104 -0.00035 0.00061 -0.00240 106 107 108 109 110 106 8 C 1S 2.05170 107 2S -0.05380 0.30595 108 2PX 0.00167 -0.00051 0.39457 109 2PY -0.00041 -0.00116 -0.00652 0.37968 110 2PZ 0.00093 0.00208 -0.00670 0.00142 0.39801 111 3S -0.19213 0.29249 0.02531 0.01087 0.01281 112 3PX -0.00339 -0.00045 0.18816 -0.00399 -0.00578 113 3PY -0.00009 0.00198 -0.00617 0.17294 0.00175 114 3PZ -0.00052 -0.00390 -0.00492 0.00015 0.18067 115 4XX -0.01708 -0.00145 -0.01230 0.01147 0.01056 116 4YY -0.01457 -0.00668 0.00671 -0.00736 0.00978 117 4ZZ -0.01738 -0.00097 0.00076 -0.00267 -0.02404 118 4XY 0.00114 -0.00245 0.01394 0.00723 -0.00165 119 4XZ 0.00044 -0.00132 0.01078 -0.00102 0.00018 120 4YZ -0.00014 0.00033 -0.00161 0.01006 -0.00195 121 9 C 1S 0.01080 -0.02120 -0.01558 0.05509 -0.02722 122 2S -0.02117 0.03439 0.03175 -0.11279 0.05607 123 2PX 0.00889 -0.01827 -0.00367 0.06204 -0.01736 124 2PY -0.05892 0.12100 0.05720 -0.25435 0.11195 125 2PZ 0.02190 -0.04450 -0.01635 0.11816 -0.04137 126 3S 0.00671 0.01120 0.03082 -0.10787 0.05904 127 3PX 0.00039 -0.00102 -0.00934 0.02858 -0.00812 128 3PY -0.01245 0.03801 0.01059 -0.12598 0.04123 129 3PZ 0.00336 -0.01082 -0.00245 0.05632 -0.02236 130 4XX 0.00162 -0.00412 -0.00541 0.00626 -0.00317 131 4YY -0.00517 0.00878 0.00328 -0.00234 0.00827 132 4ZZ 0.00085 -0.00287 -0.00114 0.00205 -0.00896 133 4XY 0.00193 -0.00336 0.00833 0.00376 -0.00329 134 4XZ -0.00096 0.00173 -0.00420 -0.00211 -0.00111 135 4YZ 0.00395 -0.00739 -0.00384 0.00861 0.00405 136 10 H 1S 0.00908 -0.02228 -0.01140 0.03269 0.00700 137 2S 0.01128 -0.02475 -0.02511 0.05821 0.00883 138 11 H 1S 0.00777 -0.01901 0.01487 0.02543 -0.02136 139 2S 0.00974 -0.02097 0.01948 0.04203 -0.04518 140 12 H 1S -0.05236 0.10197 -0.23899 0.08117 0.08119 141 2S -0.00818 0.02499 -0.21109 0.06767 0.07226 142 13 H 1S -0.05157 0.09879 0.00487 -0.01364 -0.26470 143 2S -0.00583 0.01803 0.00087 -0.01923 -0.24131 144 14 H 1S 0.00866 -0.01806 -0.01186 -0.03303 -0.00145 145 2S 0.00837 -0.01759 -0.02330 -0.06142 -0.00028 146 15 C 1S 0.00217 -0.00609 -0.00967 -0.00560 -0.00086 147 2S -0.00515 0.01198 0.02241 0.01391 0.00176 148 2PX 0.00794 -0.01558 -0.02589 -0.01982 -0.00277 149 2PY 0.00490 -0.01189 -0.02147 -0.01161 -0.00110 150 2PZ 0.00265 -0.00628 -0.01496 -0.00639 -0.00002 151 3S -0.00796 0.03010 0.05585 0.02276 0.00179 152 3PX 0.00072 -0.00780 -0.01496 -0.00391 0.00112 153 3PY 0.00479 -0.00810 -0.02331 -0.01263 0.00176 154 3PZ -0.00186 -0.00015 -0.00637 0.00006 0.00418 155 4XX 0.00050 -0.00116 -0.00297 -0.00169 -0.00067 156 4YY 0.00007 -0.00023 0.00064 0.00005 -0.00007 157 4ZZ -0.00013 -0.00012 0.00035 0.00037 0.00020 158 4XY -0.00031 0.00127 0.00097 0.00060 -0.00004 159 4XZ 0.00012 -0.00020 -0.00004 -0.00005 0.00045 160 4YZ -0.00038 0.00074 0.00180 0.00095 0.00040 161 16 O 1S -0.00052 0.00139 0.00202 0.00078 0.00037 162 2S 0.00117 -0.00296 -0.00512 -0.00083 -0.00075 163 2PX -0.00505 0.00824 0.01217 0.00919 0.00048 164 2PY -0.00029 0.00012 -0.00109 -0.00261 0.00200 165 2PZ -0.00266 0.00704 0.01348 0.00490 0.00267 166 3S 0.00535 -0.01200 -0.01887 -0.01253 -0.00368 167 3PX -0.00450 0.00826 0.01262 0.00885 0.00104 168 3PY 0.00028 0.00099 0.00025 -0.00117 0.00106 169 3PZ -0.00221 0.00534 0.01202 0.00494 0.00168 170 4XX -0.00016 0.00037 0.00051 0.00075 0.00010 171 4YY 0.00002 -0.00021 -0.00078 -0.00012 -0.00004 172 4ZZ -0.00017 0.00025 0.00028 0.00059 0.00005 173 4XY 0.00005 -0.00030 -0.00039 -0.00035 -0.00015 174 4XZ -0.00002 0.00012 0.00039 0.00003 -0.00009 175 4YZ -0.00009 0.00007 0.00006 0.00017 0.00013 176 17 C 1S 0.00004 0.00014 0.00009 0.00087 -0.00054 177 2S 0.00046 -0.00245 -0.00321 -0.00353 -0.00118 178 2PX 0.00073 0.00053 -0.00264 -0.00012 -0.00051 179 2PY 0.00093 -0.00150 -0.00254 -0.00230 -0.00039 180 2PZ 0.00100 -0.00065 0.00053 0.00211 -0.00207 181 3S -0.00103 0.00260 0.00283 0.00039 0.01366 182 3PX -0.00144 0.00290 0.00212 0.00178 -0.00280 183 3PY 0.00000 0.00324 0.00546 0.00460 -0.00190 184 3PZ -0.00199 0.00276 0.00319 -0.00074 0.00266 185 4XX -0.00011 0.00008 0.00042 0.00006 0.00010 186 4YY 0.00033 -0.00031 -0.00048 0.00019 -0.00034 187 4ZZ -0.00011 -0.00001 -0.00020 -0.00025 0.00010 188 4XY -0.00001 0.00002 0.00038 0.00016 0.00000 189 4XZ -0.00004 0.00002 0.00027 -0.00040 0.00004 190 4YZ -0.00024 0.00039 0.00067 0.00038 0.00026 191 18 O 1S -0.00031 0.00026 0.00069 -0.00029 0.00067 192 2S 0.00060 -0.00065 -0.00227 0.00060 -0.00116 193 2PX -0.00185 0.00309 0.00468 -0.00230 0.00361 194 2PY -0.00078 0.00014 -0.00036 -0.00452 0.00083 195 2PZ -0.00110 0.00064 0.00076 -0.00132 0.00114 196 3S 0.00246 -0.00210 -0.00197 0.00193 -0.00680 197 3PX -0.00130 0.00198 0.00320 -0.00195 0.00375 198 3PY 0.00006 -0.00120 -0.00139 -0.00337 -0.00084 199 3PZ -0.00098 0.00060 0.00046 -0.00113 0.00192 200 4XX -0.00011 0.00002 -0.00002 0.00004 0.00021 201 4YY -0.00004 -0.00012 -0.00030 -0.00027 0.00010 202 4ZZ -0.00005 0.00003 -0.00022 0.00020 0.00014 203 4XY -0.00008 0.00018 0.00023 -0.00020 0.00025 204 4XZ 0.00005 -0.00013 -0.00011 0.00015 -0.00027 205 4YZ -0.00004 0.00008 0.00014 0.00013 0.00010 206 19 O 1S 0.00019 0.00093 -0.00020 -0.00059 0.00008 207 2S 0.00008 -0.00213 -0.00088 0.00106 0.00041 208 2PX 0.00116 0.00320 -0.00825 -0.00676 -0.00353 209 2PY -0.00198 0.00255 0.00556 0.00400 0.00125 210 2PZ -0.00148 0.00261 0.01136 0.00623 0.00427 211 3S -0.00256 -0.00358 0.00531 0.00481 -0.00274 212 3PX 0.00053 0.00393 -0.00354 -0.00357 -0.00265 213 3PY -0.00080 0.00247 0.00317 0.00179 0.00189 214 3PZ -0.00086 0.00214 0.01051 0.00535 0.00219 215 4XX 0.00024 -0.00006 -0.00070 -0.00048 0.00018 216 4YY 0.00016 0.00001 -0.00048 0.00008 0.00010 217 4ZZ 0.00010 0.00012 -0.00019 0.00019 0.00033 218 4XY -0.00033 0.00023 0.00108 0.00096 0.00029 219 4XZ 0.00008 -0.00004 -0.00013 -0.00015 0.00002 220 4YZ -0.00007 0.00007 -0.00011 -0.00010 -0.00015 221 20 H 1S 0.00479 -0.01042 -0.01802 -0.00743 0.00428 222 2S 0.00238 -0.00732 -0.01848 -0.00710 -0.01567 223 21 H 1S -0.00101 0.00338 0.00351 0.00559 0.00323 224 2S -0.00219 0.00639 0.00402 0.01526 0.00583 225 22 H 1S -0.00739 0.01425 0.01015 -0.03113 0.01551 226 2S -0.00848 0.01758 0.02754 -0.04332 0.03087 227 23 H 1S -0.00076 0.00092 0.00199 -0.00085 0.00121 228 2S 0.00032 -0.00325 -0.00603 -0.00538 -0.00716 229 24 H 1S -0.00063 -0.00084 0.00109 0.00444 0.00241 230 2S 0.00095 -0.00517 -0.00385 -0.00043 -0.00129 231 25 H 1S -0.00053 0.00248 0.00250 -0.00103 -0.00032 232 2S -0.00303 0.00759 -0.00088 0.00653 0.00967 233 26 H 1S 0.00156 -0.00374 -0.00672 -0.00544 -0.00327 234 2S 0.00328 -0.00743 -0.01256 -0.01546 -0.00980 111 112 113 114 115 111 3S 0.31935 112 3PX 0.01755 0.09274 113 3PY 0.00756 -0.00269 0.08521 114 3PZ 0.00393 -0.00252 -0.00081 0.08567 115 4XX -0.00001 -0.00609 0.00501 0.00465 0.00154 116 4YY -0.00609 0.00327 -0.00294 0.00436 -0.00019 117 4ZZ -0.00052 0.00046 -0.00146 -0.01080 -0.00074 118 4XY -0.00157 0.00676 0.00244 -0.00058 -0.00029 119 4XZ -0.00089 0.00481 -0.00063 -0.00005 -0.00038 120 4YZ 0.00051 -0.00085 0.00386 -0.00047 0.00024 121 9 C 1S 0.00684 -0.00464 0.01009 -0.00625 0.00171 122 2S 0.01045 0.01421 -0.03126 0.01865 -0.00413 123 2PX -0.01934 -0.01423 0.04132 -0.01549 0.00460 124 2PY 0.12178 0.02306 -0.11532 0.04468 -0.00634 125 2PZ -0.04010 -0.01060 0.06190 -0.02803 0.00190 126 3S -0.01576 0.01307 -0.02228 0.01550 -0.00465 127 3PX -0.00007 -0.00990 0.01943 -0.00723 0.00226 128 3PY 0.03251 0.00293 -0.05650 0.01650 -0.00333 129 3PZ -0.00657 -0.00194 0.02853 -0.01432 0.00085 130 4XX -0.00476 -0.00288 0.00316 -0.00168 0.00024 131 4YY 0.00955 0.00167 -0.00154 0.00393 0.00009 132 4ZZ -0.00295 -0.00021 0.00060 -0.00383 -0.00013 133 4XY -0.00395 0.00399 0.00214 -0.00183 -0.00029 134 4XZ 0.00182 -0.00253 -0.00075 -0.00086 0.00017 135 4YZ -0.00869 -0.00193 0.00436 0.00214 0.00054 136 10 H 1S -0.03431 -0.00350 0.01912 0.00728 0.00185 137 2S -0.03231 -0.00956 0.02491 0.01030 0.00337 138 11 H 1S -0.02661 0.01241 0.01512 -0.01046 -0.00268 139 2S -0.02491 0.01371 0.01742 -0.01874 -0.00247 140 12 H 1S 0.08970 -0.11504 0.04005 0.03600 0.01245 141 2S 0.01333 -0.10158 0.03253 0.03286 0.01194 142 13 H 1S 0.08865 0.00360 -0.00663 -0.12125 -0.00812 143 2S 0.00546 0.00069 -0.01098 -0.10732 -0.00816 144 14 H 1S -0.05204 -0.01267 -0.01332 -0.00633 -0.00332 145 2S -0.04105 -0.01545 -0.02162 -0.00329 -0.00379 146 15 C 1S -0.00333 -0.00233 -0.00398 -0.00026 0.00086 147 2S 0.00905 0.00811 0.00913 0.00114 -0.00201 148 2PX -0.04658 -0.02062 -0.02637 -0.00672 0.00263 149 2PY -0.01076 -0.00886 -0.00937 -0.00247 0.00212 150 2PZ -0.00052 -0.00465 -0.00283 0.00675 0.00184 151 3S 0.03849 0.02668 0.01873 -0.00199 -0.00249 152 3PX -0.02077 -0.01056 -0.00807 -0.00360 0.00050 153 3PY -0.01113 -0.01151 -0.00759 0.00091 0.00093 154 3PZ 0.00609 -0.00075 0.00294 0.00418 0.00025 155 4XX -0.00132 -0.00166 -0.00084 -0.00027 0.00027 156 4YY 0.00020 0.00065 -0.00004 0.00000 -0.00007 157 4ZZ -0.00081 0.00019 -0.00005 0.00024 -0.00003 158 4XY -0.00021 0.00027 -0.00042 -0.00117 -0.00020 159 4XZ -0.00073 -0.00001 -0.00012 0.00082 0.00001 160 4YZ 0.00207 0.00135 0.00149 0.00059 -0.00033 161 16 O 1S 0.00133 0.00039 0.00058 -0.00007 -0.00015 162 2S -0.00478 -0.00194 -0.00121 0.00002 0.00056 163 2PX 0.03878 0.01245 0.01654 -0.00305 -0.00210 164 2PY 0.00469 -0.00149 -0.00255 0.00503 0.00017 165 2PZ 0.00455 0.01042 -0.00135 0.00006 -0.00169 166 3S -0.01368 -0.00676 -0.00757 0.00139 0.00071 167 3PX 0.02914 0.01023 0.01294 -0.00204 -0.00151 168 3PY 0.00723 0.00039 -0.00045 0.00343 0.00019 169 3PZ 0.00063 0.00751 -0.00118 -0.00051 -0.00125 170 4XX -0.00053 0.00002 0.00002 0.00020 0.00003 171 4YY -0.00020 -0.00034 -0.00008 -0.00019 0.00008 172 4ZZ 0.00057 -0.00002 0.00058 -0.00030 -0.00000 173 4XY -0.00061 -0.00015 -0.00038 -0.00019 0.00003 174 4XZ 0.00001 -0.00002 0.00013 0.00003 -0.00005 175 4YZ 0.00088 0.00022 0.00041 0.00019 0.00002 176 17 C 1S -0.00121 -0.00088 0.00099 -0.00079 -0.00024 177 2S -0.00073 -0.00055 -0.00332 0.00165 0.00049 178 2PX -0.00874 -0.00391 0.00232 -0.00284 -0.00003 179 2PY -0.00888 -0.00115 -0.00418 -0.00172 0.00005 180 2PZ -0.00973 -0.00318 0.00144 -0.00415 -0.00054 181 3S 0.00926 0.00163 0.00243 0.00417 0.00158 182 3PX 0.00767 0.00201 0.00263 0.00034 -0.00058 183 3PY 0.00636 0.00234 0.00295 -0.00120 -0.00031 184 3PZ 0.00432 0.00174 -0.00039 0.00014 -0.00046 185 4XX 0.00089 0.00044 0.00031 0.00064 -0.00013 186 4YY -0.00285 -0.00053 -0.00066 -0.00057 0.00007 187 4ZZ 0.00134 -0.00012 0.00019 -0.00008 0.00003 188 4XY 0.00043 0.00045 0.00009 -0.00002 -0.00001 189 4XZ 0.00082 0.00022 -0.00011 0.00042 -0.00007 190 4YZ 0.00121 0.00063 0.00017 0.00046 -0.00002 191 18 O 1S 0.00288 0.00134 -0.00043 0.00125 0.00001 192 2S -0.00680 -0.00380 0.00129 -0.00264 0.00005 193 2PX 0.01001 0.00383 0.00104 0.01024 -0.00043 194 2PY 0.01120 -0.00102 0.00269 0.00516 -0.00006 195 2PZ 0.01091 0.00140 0.00063 0.00024 0.00009 196 3S -0.01161 -0.00401 0.00013 -0.00470 -0.00027 197 3PX 0.00630 0.00246 0.00046 0.00757 -0.00019 198 3PY 0.00578 -0.00103 0.00107 0.00354 -0.00001 199 3PZ 0.00870 0.00088 0.00105 0.00062 0.00020 200 4XX 0.00037 0.00009 -0.00001 -0.00013 0.00002 201 4YY 0.00014 -0.00019 0.00008 0.00021 0.00002 202 4ZZ -0.00012 -0.00004 0.00015 0.00011 0.00004 203 4XY 0.00022 0.00019 -0.00015 0.00030 -0.00002 204 4XZ -0.00026 -0.00005 0.00000 -0.00024 0.00000 205 4YZ 0.00022 0.00012 -0.00003 -0.00013 0.00000 206 19 O 1S -0.00547 -0.00222 -0.00100 -0.00125 0.00002 207 2S 0.01173 0.00401 0.00197 0.00233 0.00007 208 2PX -0.04075 -0.01390 -0.02240 -0.01746 0.00010 209 2PY 0.01708 0.00704 0.00853 0.00679 -0.00073 210 2PZ 0.01214 0.01048 0.01047 0.00978 -0.00179 211 3S 0.01550 0.00889 0.00462 0.00407 -0.00040 212 3PX -0.02436 -0.00800 -0.01379 -0.01164 -0.00001 213 3PY 0.01145 0.00407 0.00517 0.00394 -0.00038 214 3PZ 0.00801 0.00827 0.00763 0.00630 -0.00145 215 4XX -0.00003 -0.00036 -0.00005 0.00005 0.00003 216 4YY -0.00130 -0.00069 -0.00047 -0.00048 0.00006 217 4ZZ -0.00004 -0.00012 0.00011 0.00013 0.00003 218 4XY 0.00288 0.00114 0.00170 0.00094 -0.00008 219 4XZ -0.00043 -0.00015 -0.00023 -0.00008 0.00001 220 4YZ -0.00056 -0.00036 -0.00040 -0.00062 0.00003 221 20 H 1S -0.02309 -0.00837 -0.00448 0.00833 0.00001 222 2S -0.01686 -0.00974 -0.00278 -0.00358 -0.00102 223 21 H 1S 0.01052 0.00245 0.00424 0.00017 0.00078 224 2S 0.01337 0.00296 0.00950 -0.00123 0.00156 225 22 H 1S 0.04945 0.00960 -0.03149 0.01436 -0.00082 226 2S 0.04811 0.01668 -0.03642 0.01965 -0.00118 227 23 H 1S 0.00401 0.00054 -0.00098 0.00194 0.00019 228 2S -0.00358 -0.00556 -0.00350 -0.00199 -0.00040 229 24 H 1S 0.00431 -0.00005 0.00297 0.00668 -0.00023 230 2S -0.00105 -0.00192 -0.00003 0.00883 -0.00077 231 25 H 1S 0.00051 0.00356 -0.00019 -0.00413 0.00047 232 2S 0.00973 0.00070 0.00542 -0.00081 0.00095 233 26 H 1S -0.01157 -0.01060 -0.00511 0.00003 -0.00081 234 2S -0.01673 -0.01352 -0.01021 -0.00307 -0.00153 116 117 118 119 120 116 4YY 0.00132 117 4ZZ -0.00058 0.00194 118 4XY 0.00020 0.00008 0.00101 119 4XZ 0.00013 0.00015 0.00029 0.00045 120 4YZ -0.00027 0.00005 0.00014 0.00001 0.00064 121 9 C 1S -0.00550 0.00107 0.00167 -0.00076 0.00373 122 2S 0.00906 -0.00309 -0.00328 0.00160 -0.00708 123 2PX -0.00393 -0.00097 -0.00874 0.00307 0.00277 124 2PY 0.00147 -0.00264 -0.00512 0.00239 -0.00910 125 2PZ -0.00790 0.00803 0.00337 0.00082 -0.00476 126 3S 0.01047 -0.00380 -0.00387 0.00146 -0.00777 127 3PX -0.00213 -0.00038 -0.00459 0.00129 0.00147 128 3PY 0.00107 -0.00074 -0.00289 0.00061 -0.00432 129 3PZ -0.00410 0.00394 0.00176 0.00046 -0.00208 130 4XX -0.00037 0.00037 0.00006 -0.00013 -0.00011 131 4YY 0.00019 -0.00062 -0.00000 0.00001 0.00016 132 4ZZ -0.00010 0.00044 0.00009 -0.00005 0.00025 133 4XY 0.00003 0.00032 0.00052 0.00023 -0.00012 134 4XZ -0.00036 0.00007 -0.00062 0.00004 0.00003 135 4YZ 0.00032 -0.00058 -0.00015 -0.00007 0.00050 136 10 H 1S 0.00605 -0.00506 -0.00130 -0.00075 0.00444 137 2S 0.00329 -0.00475 -0.00055 -0.00127 0.00589 138 11 H 1S 0.00193 0.00367 0.00632 -0.00068 -0.00371 139 2S -0.00056 0.00500 0.00670 -0.00051 -0.00165 140 12 H 1S -0.00596 -0.00619 -0.00855 -0.00708 0.00277 141 2S -0.00413 -0.00617 -0.00745 -0.00610 0.00230 142 13 H 1S -0.00884 0.01710 0.00012 -0.00002 0.00111 143 2S -0.00710 0.01673 0.00066 0.00075 0.00109 144 14 H 1S 0.00794 -0.00209 0.00166 -0.00153 -0.00166 145 2S 0.00641 -0.00157 -0.00090 -0.00181 -0.00283 146 15 C 1S -0.00026 -0.00038 -0.00014 -0.00024 -0.00008 147 2S 0.00048 0.00067 0.00062 0.00063 0.00040 148 2PX -0.00041 -0.00049 -0.00074 -0.00096 -0.00061 149 2PY -0.00065 -0.00070 -0.00069 -0.00076 -0.00040 150 2PZ -0.00039 -0.00056 -0.00035 -0.00058 -0.00025 151 3S 0.00037 0.00039 0.00142 0.00122 -0.00023 152 3PX 0.00031 -0.00002 -0.00045 -0.00020 -0.00007 153 3PY -0.00028 -0.00002 -0.00080 -0.00045 -0.00018 154 3PZ 0.00029 -0.00035 -0.00041 -0.00020 -0.00016 155 4XX -0.00010 -0.00003 -0.00004 -0.00007 -0.00009 156 4YY 0.00006 -0.00005 0.00003 -0.00001 0.00004 157 4ZZ 0.00001 0.00005 0.00000 0.00002 0.00002 158 4XY 0.00006 0.00009 -0.00001 0.00006 -0.00002 159 4XZ -0.00001 0.00001 -0.00001 -0.00002 0.00001 160 4YZ 0.00011 0.00009 0.00004 0.00007 0.00007 161 16 O 1S 0.00014 0.00005 -0.00001 0.00006 -0.00002 162 2S -0.00033 -0.00008 -0.00003 -0.00019 0.00002 163 2PX 0.00059 0.00007 0.00021 0.00068 0.00015 164 2PY 0.00000 0.00006 -0.00048 0.00015 -0.00024 165 2PZ 0.00051 0.00089 -0.00007 0.00066 0.00013 166 3S -0.00063 0.00015 -0.00009 -0.00056 0.00039 167 3PX 0.00048 0.00000 0.00015 0.00058 0.00003 168 3PY -0.00016 -0.00001 -0.00037 0.00015 -0.00021 169 3PZ 0.00040 0.00068 -0.00001 0.00055 0.00010 170 4XX -0.00000 0.00002 0.00001 0.00001 -0.00001 171 4YY -0.00002 -0.00003 -0.00002 -0.00003 -0.00003 172 4ZZ 0.00001 -0.00002 0.00002 0.00000 -0.00001 173 4XY -0.00002 0.00000 -0.00003 0.00000 -0.00001 174 4XZ 0.00002 -0.00000 0.00002 0.00000 0.00002 175 4YZ -0.00000 -0.00003 -0.00000 0.00000 0.00000 176 17 C 1S 0.00013 -0.00005 0.00025 -0.00016 0.00012 177 2S -0.00056 0.00030 -0.00061 0.00033 -0.00023 178 2PX 0.00051 -0.00052 0.00056 -0.00074 0.00016 179 2PY 0.00002 0.00000 0.00008 -0.00017 0.00001 180 2PZ 0.00043 0.00015 0.00046 -0.00042 0.00031 181 3S -0.00028 -0.00100 -0.00156 0.00074 -0.00075 182 3PX 0.00009 0.00020 0.00070 -0.00017 0.00004 183 3PY 0.00002 0.00006 0.00011 0.00011 -0.00005 184 3PZ 0.00032 0.00003 0.00055 -0.00010 -0.00000 185 4XX 0.00005 0.00002 0.00008 0.00001 0.00002 186 4YY -0.00003 0.00003 0.00000 -0.00004 0.00003 187 4ZZ -0.00002 -0.00002 -0.00005 0.00001 0.00000 188 4XY -0.00005 0.00003 0.00007 0.00001 0.00003 189 4XZ 0.00002 0.00004 -0.00003 0.00003 -0.00001 190 4YZ -0.00002 0.00004 0.00002 0.00005 -0.00002 191 18 O 1S 0.00000 -0.00003 -0.00001 0.00006 -0.00004 192 2S 0.00003 0.00008 -0.00001 -0.00017 0.00006 193 2PX 0.00014 -0.00010 0.00059 0.00013 -0.00030 194 2PY -0.00008 -0.00016 0.00014 -0.00011 -0.00011 195 2PZ -0.00051 0.00012 -0.00003 0.00023 0.00002 196 3S -0.00004 0.00035 -0.00004 -0.00016 0.00029 197 3PX 0.00009 -0.00010 0.00035 0.00012 -0.00024 198 3PY -0.00016 -0.00001 0.00002 -0.00005 -0.00002 199 3PZ -0.00037 -0.00000 -0.00007 0.00018 -0.00003 200 4XX -0.00001 -0.00000 -0.00001 0.00001 -0.00000 201 4YY -0.00001 -0.00000 0.00002 -0.00002 -0.00001 202 4ZZ 0.00000 -0.00002 -0.00000 -0.00001 -0.00002 203 4XY 0.00002 -0.00001 0.00003 0.00000 -0.00001 204 4XZ -0.00002 0.00003 -0.00002 0.00001 0.00001 205 4YZ -0.00001 0.00001 -0.00001 0.00002 0.00000 206 19 O 1S 0.00007 0.00016 -0.00011 -0.00006 -0.00007 207 2S -0.00023 -0.00044 0.00017 0.00006 0.00009 208 2PX 0.00023 0.00079 -0.00044 0.00001 -0.00084 209 2PY 0.00012 0.00008 0.00038 0.00041 0.00021 210 2PZ 0.00079 0.00048 0.00038 0.00031 0.00050 211 3S 0.00001 -0.00045 0.00058 0.00021 0.00041 212 3PX 0.00006 0.00058 -0.00025 0.00005 -0.00058 213 3PY 0.00002 0.00000 0.00016 0.00024 0.00002 214 3PZ 0.00053 0.00045 0.00040 0.00030 0.00044 215 4XX 0.00000 -0.00001 -0.00003 -0.00001 -0.00002 216 4YY -0.00004 0.00002 -0.00003 -0.00002 -0.00001 217 4ZZ -0.00001 -0.00000 -0.00001 -0.00000 0.00000 218 4XY 0.00001 -0.00002 0.00004 0.00003 0.00006 219 4XZ 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 220 4YZ -0.00002 -0.00001 -0.00001 0.00000 -0.00002 221 20 H 1S -0.00042 0.00067 -0.00116 -0.00073 0.00032 222 2S -0.00085 0.00246 -0.00136 -0.00003 0.00050 223 21 H 1S -0.00016 -0.00027 0.00073 -0.00024 -0.00002 224 2S 0.00004 -0.00113 0.00071 -0.00037 0.00020 225 22 H 1S 0.00090 -0.00123 0.00111 -0.00046 0.00035 226 2S 0.00161 -0.00216 0.00157 0.00005 0.00001 227 23 H 1S -0.00055 0.00066 -0.00040 0.00072 0.00043 228 2S -0.00131 0.00228 -0.00101 0.00142 0.00067 229 24 H 1S -0.00042 -0.00018 0.00039 -0.00006 0.00034 230 2S -0.00038 0.00033 0.00044 -0.00009 0.00067 231 25 H 1S 0.00001 -0.00025 -0.00028 -0.00014 -0.00070 232 2S 0.00030 -0.00108 -0.00055 -0.00027 -0.00090 233 26 H 1S 0.00005 0.00091 -0.00016 0.00074 0.00069 234 2S 0.00011 0.00193 -0.00050 0.00107 0.00093 121 122 123 124 125 121 9 C 1S 2.05173 122 2S -0.05396 0.30604 123 2PX 0.00095 -0.00110 0.39118 124 2PY 0.00169 0.00141 0.00283 0.38706 125 2PZ -0.00042 0.00177 -0.01193 0.00559 0.39369 126 3S -0.19248 0.29331 0.02880 0.00915 0.01644 127 3PX -0.00307 0.00028 0.18563 0.00194 -0.00857 128 3PY -0.00130 -0.00416 0.00570 0.17605 -0.00009 129 3PZ 0.00007 -0.00073 -0.00881 0.00328 0.17978 130 4XX -0.01631 -0.00307 -0.00133 -0.00304 0.01555 131 4YY -0.01640 -0.00315 -0.00219 0.00610 -0.01283 132 4ZZ -0.01636 -0.00294 -0.00008 -0.00826 -0.00366 133 4XY -0.00091 0.00171 -0.00491 -0.00284 0.00840 134 4XZ 0.00170 -0.00385 0.01760 0.00775 0.00018 135 4YZ -0.00097 0.00186 0.00804 -0.01526 -0.01132 136 10 H 1S -0.05140 0.09843 0.03981 -0.17459 -0.19561 137 2S -0.00549 0.01770 0.03099 -0.15597 -0.18389 138 11 H 1S -0.05249 0.10248 -0.20536 -0.07711 0.14910 139 2S -0.00809 0.02482 -0.18284 -0.06580 0.12844 140 12 H 1S 0.00777 -0.01897 0.02596 -0.02543 0.00043 141 2S 0.00948 -0.02027 0.04057 -0.05019 -0.00497 142 13 H 1S 0.00902 -0.02206 -0.00012 -0.01925 0.02954 143 2S 0.01126 -0.02456 -0.00449 -0.03919 0.05060 144 14 H 1S -0.00730 0.01413 -0.00378 0.03347 -0.01229 145 2S -0.00842 0.01776 0.00611 0.05746 -0.01120 146 15 C 1S 0.00004 0.00013 0.00050 -0.00093 0.00024 147 2S 0.00050 -0.00244 -0.00413 0.00020 -0.00288 148 2PX 0.00092 -0.00015 -0.00365 -0.00076 -0.00067 149 2PY 0.00033 0.00071 0.00234 -0.00238 0.00108 150 2PZ 0.00108 -0.00116 -0.00023 -0.00130 -0.00055 151 3S -0.00094 0.00189 -0.00052 0.01194 0.00759 152 3PX -0.00096 0.00322 0.00479 -0.00426 -0.00055 153 3PY -0.00137 0.00004 -0.00220 0.00206 -0.00085 154 3PZ -0.00135 0.00404 0.00642 0.00116 0.00187 155 4XX -0.00002 -0.00002 0.00040 0.00001 0.00006 156 4YY 0.00023 -0.00046 -0.00092 -0.00009 -0.00053 157 4ZZ -0.00008 0.00015 0.00020 -0.00014 0.00028 158 4XY -0.00019 0.00022 0.00033 0.00045 -0.00010 159 4XZ 0.00005 0.00002 0.00031 0.00014 -0.00010 160 4YZ -0.00025 0.00019 0.00020 0.00041 -0.00001 161 16 O 1S -0.00055 0.00137 0.00210 0.00046 0.00050 162 2S 0.00114 -0.00289 -0.00489 -0.00176 -0.00033 163 2PX -0.00443 0.00665 0.01053 -0.00068 0.00415 164 2PY -0.00347 0.00792 0.01618 0.00045 0.00434 165 2PZ -0.00119 0.00368 0.00555 0.00448 0.00111 166 3S 0.00583 -0.01211 -0.02173 -0.00128 -0.00870 167 3PX -0.00390 0.00720 0.01159 -0.00015 0.00431 168 3PY -0.00342 0.00633 0.01449 0.00046 0.00419 169 3PZ -0.00058 0.00309 0.00608 0.00281 0.00090 170 4XX -0.00013 0.00010 0.00019 -0.00025 0.00031 171 4YY -0.00009 0.00021 0.00031 -0.00020 0.00017 172 4ZZ -0.00020 0.00010 -0.00003 -0.00024 0.00045 173 4XY -0.00010 0.00037 0.00084 0.00007 0.00025 174 4XZ 0.00006 -0.00025 -0.00039 0.00001 -0.00036 175 4YZ -0.00010 0.00016 0.00052 -0.00000 0.00012 176 17 C 1S 0.00218 -0.00600 -0.01071 -0.00039 -0.00303 177 2S -0.00507 0.01192 0.02527 0.00043 0.00754 178 2PX 0.00855 -0.01739 -0.03379 0.00119 -0.01264 179 2PY 0.00159 -0.00254 -0.00714 0.00027 -0.00221 180 2PZ 0.00413 -0.01068 -0.02345 -0.00175 -0.00387 181 3S -0.00866 0.03056 0.05958 0.00453 0.01041 182 3PX 0.00255 -0.00944 -0.02195 -0.00060 -0.00169 183 3PY -0.00396 0.00189 0.00678 -0.00109 0.00517 184 3PZ 0.00182 -0.00434 -0.02091 0.00184 0.00001 185 4XX 0.00029 -0.00030 -0.00218 -0.00051 -0.00098 186 4YY 0.00049 -0.00139 -0.00186 -0.00004 -0.00048 187 4ZZ -0.00031 0.00027 0.00197 0.00032 0.00063 188 4XY 0.00028 -0.00085 -0.00136 0.00011 -0.00022 189 4XZ -0.00020 0.00084 0.00145 0.00028 0.00052 190 4YZ -0.00024 0.00057 0.00059 0.00004 0.00047 191 18 O 1S 0.00018 0.00100 -0.00038 0.00035 -0.00029 192 2S 0.00007 -0.00227 -0.00063 -0.00067 0.00115 193 2PX 0.00064 0.00368 -0.00831 -0.00137 -0.00545 194 2PY 0.00057 0.00129 0.00127 0.00146 0.00016 195 2PZ -0.00262 0.00292 0.01424 0.00249 0.00691 196 3S -0.00218 -0.00427 0.00720 -0.00309 -0.00007 197 3PX 0.00033 0.00425 -0.00452 -0.00077 -0.00339 198 3PY 0.00018 0.00114 0.00445 0.00015 -0.00020 199 3PZ -0.00136 0.00276 0.01078 0.00232 0.00495 200 4XX 0.00001 0.00009 -0.00002 0.00012 0.00040 201 4YY 0.00034 -0.00013 -0.00086 0.00008 0.00008 202 4ZZ 0.00010 0.00010 -0.00064 -0.00012 0.00004 203 4XY 0.00020 -0.00013 -0.00092 0.00010 -0.00055 204 4XZ -0.00015 0.00009 0.00066 -0.00005 0.00036 205 4YZ -0.00015 0.00016 0.00059 0.00009 0.00037 206 19 O 1S -0.00027 0.00018 0.00035 0.00087 0.00007 207 2S 0.00054 -0.00050 -0.00148 -0.00191 0.00019 208 2PX -0.00164 0.00249 0.00165 0.00595 -0.00105 209 2PY -0.00098 0.00155 0.00246 0.00122 0.00155 210 2PZ -0.00113 0.00029 -0.00160 0.00290 -0.00178 211 3S 0.00196 -0.00110 0.00073 -0.00636 -0.00224 212 3PX -0.00096 0.00124 0.00068 0.00475 -0.00045 213 3PY -0.00105 0.00155 0.00159 0.00256 0.00195 214 3PZ -0.00043 -0.00074 -0.00213 0.00153 -0.00178 215 4XX -0.00014 0.00011 -0.00004 0.00040 0.00015 216 4YY 0.00002 -0.00017 -0.00034 -0.00028 0.00007 217 4ZZ -0.00006 -0.00001 -0.00016 0.00004 0.00023 218 4XY 0.00002 -0.00007 0.00013 -0.00033 0.00008 219 4XZ -0.00002 0.00002 0.00003 0.00007 -0.00007 220 4YZ -0.00002 0.00010 0.00012 -0.00006 0.00014 221 20 H 1S -0.00108 0.00339 0.00481 -0.00008 0.00592 222 2S -0.00255 0.00692 0.00912 -0.00410 0.01554 223 21 H 1S 0.00464 -0.01027 -0.01967 0.00157 0.00075 224 2S 0.00210 -0.00712 -0.01682 -0.01242 -0.01278 225 22 H 1S 0.00872 -0.01792 -0.02216 0.01546 -0.02244 226 2S 0.00855 -0.01738 -0.04259 0.03062 -0.03936 227 23 H 1S -0.00274 0.00758 0.01683 0.00193 0.01033 228 2S -0.00357 0.01185 0.02801 0.00506 0.02833 229 24 H 1S 0.00283 -0.00656 -0.00608 -0.00456 -0.00701 230 2S 0.00393 -0.00928 -0.00995 -0.00592 -0.01168 231 25 H 1S -0.00229 0.00569 0.00579 0.00226 0.00762 232 2S -0.00402 0.00979 0.01311 0.00356 0.01466 233 26 H 1S 0.00019 -0.00031 -0.00082 -0.00018 -0.00067 234 2S -0.00058 0.00134 0.00163 0.00358 0.00083 126 127 128 129 130 126 3S 0.32352 127 3PX 0.01915 0.09146 128 3PY 0.00335 0.00250 0.08548 129 3PZ 0.00741 -0.00353 -0.00081 0.08513 130 4XX -0.00135 -0.00095 -0.00118 0.00666 0.00120 131 4YY -0.00283 -0.00073 0.00200 -0.00553 -0.00050 132 4ZZ -0.00255 -0.00017 -0.00326 -0.00164 -0.00009 133 4XY 0.00199 -0.00279 -0.00144 0.00376 0.00030 134 4XZ -0.00305 0.00814 0.00403 -0.00020 -0.00008 135 4YZ 0.00204 0.00359 -0.00631 -0.00557 -0.00042 136 10 H 1S 0.08795 0.01987 -0.07877 -0.09050 -0.00767 137 2S 0.00400 0.01445 -0.06765 -0.08424 -0.00742 138 11 H 1S 0.08984 -0.09871 -0.04024 0.06909 0.00666 139 2S 0.01157 -0.08841 -0.03305 0.05957 0.00677 140 12 H 1S -0.02593 0.01913 -0.01258 0.00055 0.00201 141 2S -0.02331 0.02326 -0.01973 -0.00371 0.00193 142 13 H 1S -0.03369 0.00277 -0.00822 0.01908 0.00129 143 2S -0.03324 -0.00109 -0.01245 0.02583 0.00271 144 14 H 1S 0.04891 -0.00470 0.03279 -0.01311 0.00007 145 2S 0.04771 -0.00048 0.04151 -0.01323 0.00012 146 15 C 1S -0.00126 -0.00032 -0.00153 0.00051 -0.00003 147 2S -0.00117 -0.00170 0.00274 -0.00180 -0.00000 148 2PX -0.01011 -0.00300 -0.00341 -0.00074 0.00049 149 2PY -0.00400 -0.00096 -0.00557 0.00189 0.00001 150 2PZ -0.01072 -0.00188 -0.00210 -0.00347 -0.00000 151 3S 0.00933 0.00033 0.00412 0.00351 0.00017 152 3PX 0.00826 0.00354 -0.00188 0.00204 -0.00009 153 3PY -0.00036 -0.00056 0.00143 -0.00028 0.00008 154 3PZ 0.00735 0.00322 -0.00036 0.00030 -0.00015 155 4XX 0.00029 0.00052 0.00019 0.00027 -0.00001 156 4YY -0.00113 -0.00086 -0.00021 -0.00033 -0.00002 157 4ZZ 0.00001 0.00005 0.00006 -0.00008 0.00003 158 4XY 0.00147 0.00039 0.00054 0.00056 -0.00010 159 4XZ -0.00016 0.00025 0.00025 -0.00021 -0.00001 160 4YZ 0.00255 0.00047 0.00014 0.00047 -0.00004 161 16 O 1S 0.00149 0.00054 -0.00010 0.00031 -0.00013 162 2S -0.00502 -0.00208 -0.00035 -0.00063 0.00049 163 2PX 0.03749 0.01340 -0.00592 0.00841 -0.00148 164 2PY 0.01375 0.01484 -0.00301 -0.00051 -0.00162 165 2PZ -0.00055 0.00195 0.00640 -0.00208 -0.00091 166 3S -0.01591 -0.00913 0.00230 -0.00340 0.00058 167 3PX 0.03025 0.01168 -0.00426 0.00700 -0.00107 168 3PY 0.00658 0.01028 -0.00222 -0.00083 -0.00117 169 3PZ 0.00020 0.00245 0.00420 -0.00163 -0.00066 170 4XX -0.00083 -0.00016 0.00010 -0.00018 0.00004 171 4YY -0.00024 -0.00014 -0.00034 -0.00006 0.00000 172 4ZZ 0.00114 0.00022 -0.00033 0.00043 0.00005 173 4XY 0.00034 0.00027 0.00012 0.00045 -0.00003 174 4XZ -0.00030 -0.00021 -0.00000 -0.00018 -0.00000 175 4YZ 0.00040 0.00022 -0.00019 0.00012 -0.00003 176 17 C 1S -0.00338 -0.00352 0.00127 -0.00257 0.00070 177 2S 0.00859 0.01094 -0.00201 0.00550 -0.00149 178 2PX -0.04653 -0.02843 0.00373 -0.02159 0.00222 179 2PY -0.00967 -0.00678 0.00417 0.00012 0.00078 180 2PZ -0.00092 -0.00843 0.00390 0.00103 0.00179 181 3S 0.04101 0.03123 -0.00425 0.00868 -0.00151 182 3PX -0.02335 -0.01527 -0.00096 -0.00838 0.00043 183 3PY 0.00397 0.00418 -0.00028 0.00314 -0.00012 184 3PZ 0.00065 -0.00788 0.00167 0.00281 0.00034 185 4XX -0.00136 -0.00138 -0.00068 -0.00140 0.00011 186 4YY -0.00231 -0.00137 0.00061 -0.00035 0.00027 187 4ZZ 0.00188 0.00177 0.00027 0.00130 -0.00022 188 4XY -0.00019 -0.00049 0.00040 0.00103 0.00008 189 4XZ -0.00002 0.00076 0.00017 -0.00017 -0.00018 190 4YZ -0.00057 0.00010 -0.00010 -0.00018 -0.00008 191 18 O 1S -0.00569 -0.00228 -0.00109 -0.00146 -0.00001 192 2S 0.01242 0.00415 0.00202 0.00294 0.00009 193 2PX -0.03424 -0.01482 -0.00413 -0.02345 0.00003 194 2PY -0.01592 -0.00272 0.00080 -0.00619 -0.00063 195 2PZ 0.02788 0.01751 0.00501 0.02043 -0.00129 196 3S 0.01462 0.00964 0.00348 0.00494 -0.00014 197 3PX -0.02027 -0.00901 -0.00311 -0.01528 0.00000 198 3PY -0.01027 0.00022 0.00057 -0.00353 -0.00060 199 3PZ 0.01870 0.01199 0.00297 0.01319 -0.00092 200 4XX 0.00165 0.00049 -0.00002 0.00107 -0.00001 201 4YY -0.00134 -0.00074 0.00016 -0.00030 0.00003 202 4ZZ -0.00161 -0.00102 -0.00045 -0.00107 0.00005 203 4XY -0.00148 -0.00087 -0.00009 -0.00099 0.00003 204 4XZ 0.00095 0.00056 -0.00004 0.00060 -0.00002 205 4YZ 0.00160 0.00081 0.00012 0.00093 -0.00002 206 19 O 1S 0.00261 0.00083 0.00151 0.00020 -0.00001 207 2S -0.00617 -0.00256 -0.00368 0.00004 0.00008 208 2PX 0.01039 0.00223 0.00704 0.00787 0.00001 209 2PY 0.00452 0.00279 0.00198 -0.00048 -0.00005 210 2PZ 0.01472 0.00050 0.00080 0.00328 0.00003 211 3S -0.00959 -0.00204 -0.00499 -0.00199 -0.00017 212 3PX 0.00599 0.00114 0.00540 0.00533 0.00002 213 3PY 0.00434 0.00181 0.00152 0.00046 0.00003 214 3PZ 0.00928 -0.00008 0.00067 0.00229 0.00004 215 4XX 0.00047 0.00008 0.00023 0.00004 0.00001 216 4YY -0.00025 -0.00017 -0.00024 0.00017 0.00003 217 4ZZ 0.00020 -0.00002 -0.00003 0.00013 0.00003 218 4XY 0.00001 0.00007 -0.00028 -0.00026 -0.00002 219 4XZ 0.00002 0.00002 0.00009 -0.00002 -0.00001 220 4YZ -0.00018 0.00008 0.00005 -0.00002 -0.00000 221 20 H 1S 0.01112 0.00343 -0.00109 0.00299 0.00111 222 2S 0.01596 0.00596 -0.00500 0.00655 0.00180 223 21 H 1S -0.02119 -0.01028 0.00619 0.00431 -0.00049 224 2S -0.01370 -0.00924 -0.00302 -0.00244 -0.00167 225 22 H 1S -0.05253 -0.01592 -0.00056 -0.01170 -0.00050 226 2S -0.04173 -0.02137 0.00578 -0.01517 -0.00227 227 23 H 1S 0.01619 0.01961 -0.00143 0.00435 0.00172 228 2S 0.02096 0.02458 -0.00038 0.01300 0.00302 229 24 H 1S -0.01710 -0.00494 0.00083 -0.00296 -0.00042 230 2S -0.02161 -0.00650 0.00187 -0.00519 -0.00042 231 25 H 1S 0.01255 0.00246 -0.00321 0.00509 0.00045 232 2S 0.02220 0.00687 -0.00447 0.00825 0.00084 233 26 H 1S -0.00156 0.00108 -0.00063 -0.00280 -0.00003 234 2S 0.00172 0.00327 0.00166 -0.00238 0.00031 131 132 133 134 135 131 4YY 0.00100 132 4ZZ 0.00003 0.00071 133 4XY -0.00033 -0.00001 0.00066 134 4XZ -0.00003 0.00003 -0.00042 0.00120 135 4YZ 0.00007 0.00038 -0.00012 0.00002 0.00150 136 10 H 1S 0.00295 0.00490 -0.00259 -0.00307 0.01472 137 2S 0.00364 0.00536 -0.00280 -0.00168 0.01398 138 11 H 1S -0.00568 -0.00064 0.00746 -0.01230 -0.00490 139 2S -0.00470 -0.00038 0.00671 -0.01041 -0.00517 140 12 H 1S 0.00236 -0.00144 -0.00643 0.00330 0.00311 141 2S 0.00047 -0.00040 -0.00530 0.00306 0.00531 142 13 H 1S -0.00304 0.00463 0.00141 0.00137 -0.00629 143 2S -0.00538 0.00465 0.00246 0.00058 -0.00451 144 14 H 1S -0.00119 -0.00001 -0.00102 0.00094 -0.00077 145 2S -0.00115 -0.00071 -0.00133 0.00183 -0.00158 146 15 C 1S -0.00027 0.00012 -0.00028 0.00014 -0.00001 147 2S 0.00055 -0.00026 0.00068 -0.00045 0.00025 148 2PX -0.00062 0.00012 -0.00062 0.00001 -0.00040 149 2PY -0.00047 0.00042 -0.00065 0.00023 -0.00015 150 2PZ -0.00023 0.00036 -0.00043 0.00011 0.00003 151 3S 0.00109 -0.00105 0.00168 -0.00071 -0.00091 152 3PX -0.00028 0.00003 -0.00061 0.00034 0.00032 153 3PY -0.00027 0.00016 -0.00054 0.00029 0.00017 154 3PZ -0.00004 -0.00002 -0.00039 0.00036 0.00001 155 4XX -0.00007 0.00003 -0.00008 0.00009 0.00006 156 4YY 0.00000 0.00004 0.00002 -0.00005 -0.00005 157 4ZZ 0.00001 -0.00001 0.00003 -0.00002 0.00003 158 4XY 0.00006 0.00001 -0.00004 0.00005 -0.00000 159 4XZ 0.00001 0.00001 0.00000 0.00001 0.00006 160 4YZ 0.00001 -0.00003 0.00002 0.00002 -0.00000 161 16 O 1S 0.00011 0.00005 -0.00006 0.00008 -0.00003 162 2S -0.00019 -0.00010 0.00020 -0.00031 0.00005 163 2PX 0.00016 0.00007 -0.00036 0.00081 -0.00009 164 2PY 0.00021 0.00062 -0.00064 0.00103 0.00039 165 2PZ 0.00076 0.00039 0.00001 0.00014 0.00022 166 3S -0.00057 0.00034 0.00025 -0.00066 0.00030 167 3PX 0.00018 -0.00009 -0.00022 0.00062 -0.00010 168 3PY 0.00023 0.00049 -0.00050 0.00084 0.00024 169 3PZ 0.00053 0.00021 0.00007 0.00013 0.00023 170 4XX 0.00003 -0.00002 0.00003 -0.00003 0.00001 171 4YY -0.00000 -0.00000 -0.00003 0.00001 0.00000 172 4ZZ -0.00001 -0.00005 0.00002 -0.00002 -0.00003 173 4XY -0.00002 0.00002 -0.00002 0.00005 0.00001 174 4XZ -0.00001 -0.00000 0.00001 -0.00001 -0.00001 175 4YZ -0.00000 0.00001 -0.00001 0.00003 0.00000 176 17 C 1S -0.00016 -0.00027 0.00032 -0.00041 -0.00022 177 2S 0.00000 0.00062 -0.00071 0.00120 0.00058 178 2PX 0.00023 -0.00071 0.00083 -0.00185 -0.00075 179 2PY 0.00004 -0.00009 0.00015 -0.00035 -0.00018 180 2PZ -0.00024 -0.00071 0.00081 -0.00137 -0.00058 181 3S 0.00019 -0.00049 -0.00101 0.00196 0.00077 182 3PX 0.00040 0.00015 0.00030 -0.00067 -0.00044 183 3PY 0.00003 0.00006 -0.00016 0.00027 -0.00027 184 3PZ 0.00025 -0.00014 0.00032 -0.00087 -0.00059 185 4XX 0.00007 -0.00008 0.00004 -0.00010 -0.00000 186 4YY -0.00006 -0.00009 0.00010 -0.00014 -0.00004 187 4ZZ -0.00003 0.00013 -0.00010 0.00015 0.00001 188 4XY -0.00002 -0.00002 0.00003 -0.00007 0.00001 189 4XZ 0.00002 0.00008 -0.00008 0.00008 0.00002 190 4YZ 0.00006 0.00004 -0.00001 0.00002 0.00006 191 18 O 1S 0.00019 0.00008 -0.00003 -0.00013 0.00000 192 2S -0.00043 -0.00028 0.00012 0.00014 -0.00006 193 2PX 0.00118 -0.00019 -0.00013 -0.00032 0.00017 194 2PY 0.00048 0.00047 -0.00048 0.00011 0.00004 195 2PZ -0.00037 0.00069 -0.00062 0.00123 0.00028 196 3S -0.00076 0.00004 -0.00010 0.00070 0.00014 197 3PX 0.00082 -0.00023 -0.00007 -0.00026 0.00016 198 3PY 0.00022 0.00047 -0.00041 0.00030 0.00023 199 3PZ -0.00021 0.00042 -0.00043 0.00084 0.00020 200 4XX -0.00002 0.00001 0.00000 0.00001 -0.00001 201 4YY 0.00002 0.00000 0.00001 -0.00005 -0.00000 202 4ZZ 0.00003 -0.00003 0.00004 -0.00006 -0.00000 203 4XY 0.00004 -0.00003 0.00000 -0.00004 -0.00002 204 4XZ -0.00003 0.00001 -0.00000 0.00003 0.00001 205 4YZ -0.00003 0.00001 -0.00001 0.00004 -0.00000 206 19 O 1S 0.00004 -0.00005 0.00003 0.00003 -0.00001 207 2S -0.00006 0.00011 -0.00006 -0.00010 -0.00002 208 2PX -0.00003 -0.00036 -0.00055 0.00048 0.00008 209 2PY 0.00005 -0.00017 0.00016 0.00016 0.00028 210 2PZ -0.00011 -0.00028 0.00021 -0.00008 0.00017 211 3S -0.00014 0.00036 -0.00011 -0.00007 0.00012 212 3PX 0.00003 -0.00026 -0.00027 0.00029 0.00005 213 3PY 0.00007 -0.00020 0.00013 0.00010 0.00011 214 3PZ -0.00006 -0.00019 0.00026 -0.00013 0.00016 215 4XX -0.00001 -0.00001 -0.00001 0.00001 -0.00001 216 4YY 0.00000 -0.00001 0.00000 -0.00003 -0.00000 217 4ZZ 0.00001 -0.00002 0.00001 -0.00001 0.00000 218 4XY 0.00002 0.00001 0.00004 -0.00002 0.00001 219 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00001 220 4YZ 0.00001 -0.00000 0.00000 0.00000 -0.00001 221 20 H 1S -0.00049 -0.00031 -0.00012 0.00014 0.00008 222 2S -0.00099 -0.00049 0.00022 0.00012 -0.00063 223 21 H 1S 0.00004 0.00068 0.00023 -0.00132 0.00009 224 2S 0.00082 0.00138 0.00030 -0.00110 0.00140 225 22 H 1S 0.00166 0.00146 -0.00518 0.00279 -0.00476 226 2S 0.00294 0.00053 -0.00440 0.00054 -0.00469 227 23 H 1S -0.00061 -0.00150 -0.00040 -0.00083 -0.00128 228 2S -0.00153 -0.00229 -0.00023 -0.00044 -0.00211 229 24 H 1S 0.00017 0.00026 -0.00012 -0.00030 0.00069 230 2S -0.00001 0.00041 -0.00037 -0.00039 0.00086 231 25 H 1S 0.00003 -0.00064 -0.00015 -0.00004 -0.00094 232 2S 0.00015 -0.00132 -0.00048 0.00007 -0.00139 233 26 H 1S -0.00022 0.00026 0.00003 0.00028 0.00011 234 2S -0.00058 0.00017 -0.00015 0.00043 -0.00034 136 137 138 139 140 136 10 H 1S 0.21328 137 2S 0.17525 0.16598 138 11 H 1S -0.02486 -0.04907 0.21248 139 2S -0.04512 -0.04969 0.16738 0.14840 140 12 H 1S 0.01550 0.02788 -0.02825 -0.03160 0.21254 141 2S 0.02977 0.04065 -0.03192 -0.03389 0.16797 142 13 H 1S -0.02652 -0.02808 0.01539 0.02993 -0.02470 143 2S -0.02779 -0.02743 0.02797 0.04174 -0.04828 144 14 H 1S -0.00643 -0.01322 -0.00571 -0.01151 -0.01363 145 2S -0.01642 -0.02373 -0.01382 -0.01876 -0.01045 146 15 C 1S 0.00020 -0.00044 -0.00096 -0.00211 0.00400 147 2S 0.00099 0.00355 0.00268 0.00611 -0.00987 148 2PX -0.00168 -0.00392 -0.00005 -0.00134 0.01018 149 2PY 0.00037 -0.00128 -0.00231 -0.00533 0.01031 150 2PZ 0.00047 0.00073 -0.00175 -0.00211 0.00855 151 3S -0.00835 -0.00925 0.00603 0.00773 -0.02170 152 3PX 0.00339 0.00124 -0.00238 -0.00550 0.00557 153 3PY -0.00020 0.00036 -0.00136 -0.00290 0.00976 154 3PZ 0.00055 -0.00165 -0.00261 -0.00537 0.00447 155 4XX 0.00015 0.00043 -0.00050 -0.00063 0.00139 156 4YY -0.00004 0.00003 0.00021 0.00039 -0.00051 157 4ZZ 0.00001 -0.00010 0.00012 0.00002 -0.00023 158 4XY 0.00012 0.00019 -0.00037 -0.00079 -0.00058 159 4XZ 0.00015 0.00031 -0.00026 -0.00019 0.00007 160 4YZ -0.00004 -0.00019 -0.00000 -0.00016 -0.00120 161 16 O 1S 0.00016 -0.00033 -0.00074 -0.00157 -0.00073 162 2S -0.00057 0.00020 0.00245 0.00426 0.00243 163 2PX 0.00241 -0.00322 -0.00394 -0.01096 -0.00618 164 2PY 0.00330 -0.00070 -0.00871 -0.01460 0.00163 165 2PZ 0.00105 0.00141 -0.00342 -0.00662 -0.00804 166 3S -0.00024 0.00601 0.00506 0.01116 0.00499 167 3PX 0.00187 -0.00311 -0.00343 -0.00911 -0.00526 168 3PY 0.00211 -0.00087 -0.00726 -0.01159 0.00130 169 3PZ 0.00116 0.00096 -0.00300 -0.00503 -0.00679 170 4XX -0.00002 -0.00001 0.00020 0.00025 -0.00000 171 4YY 0.00006 -0.00018 -0.00008 -0.00030 0.00046 172 4ZZ -0.00016 -0.00039 0.00034 0.00019 -0.00001 173 4XY 0.00005 0.00010 -0.00031 -0.00047 0.00015 174 4XZ 0.00001 0.00012 0.00007 0.00036 -0.00025 175 4YZ 0.00005 -0.00006 -0.00021 -0.00031 0.00012 176 17 C 1S -0.00175 -0.00033 0.00399 0.00751 -0.00096 177 2S 0.00348 0.00109 -0.00988 -0.01604 0.00263 178 2PX -0.00554 -0.00246 0.01168 0.02322 -0.00055 179 2PY -0.00145 0.00163 0.00306 0.00490 0.00015 180 2PZ -0.00432 0.00018 0.01152 0.01711 -0.00288 181 3S 0.00840 -0.00383 -0.02057 -0.03203 0.00678 182 3PX -0.00439 -0.00285 0.00773 0.01015 -0.00251 183 3PY -0.00122 -0.00174 -0.00129 -0.00258 -0.00185 184 3PZ -0.00420 -0.00170 0.00934 0.00877 -0.00244 185 4XX 0.00010 -0.00058 0.00092 0.00112 -0.00053 186 4YY -0.00053 -0.00007 0.00101 0.00211 0.00011 187 4ZZ 0.00015 0.00080 -0.00127 -0.00181 0.00027 188 4XY -0.00023 0.00064 0.00055 0.00088 -0.00024 189 4XZ 0.00016 0.00011 -0.00079 -0.00126 -0.00026 190 4YZ 0.00017 0.00008 -0.00022 -0.00069 -0.00019 191 18 O 1S 0.00014 -0.00019 0.00014 -0.00030 -0.00019 192 2S -0.00078 -0.00037 0.00066 0.00153 0.00084 193 2PX 0.00167 -0.00568 0.00197 0.00192 -0.00247 194 2PY -0.00004 0.00244 -0.00326 -0.00426 0.00016 195 2PZ 0.00066 0.00853 -0.00768 -0.01265 0.00106 196 3S 0.00113 0.00332 -0.00402 -0.00128 -0.00049 197 3PX 0.00159 -0.00407 0.00145 0.00078 -0.00137 198 3PY 0.00122 0.00341 -0.00421 -0.00473 0.00039 199 3PZ 0.00045 0.00524 -0.00565 -0.00931 0.00121 200 4XX -0.00013 0.00003 0.00014 -0.00015 0.00009 201 4YY -0.00019 0.00010 0.00036 0.00039 0.00010 202 4ZZ -0.00008 -0.00062 0.00048 0.00052 0.00020 203 4XY -0.00002 -0.00029 0.00025 0.00041 -0.00015 204 4XZ 0.00001 0.00006 -0.00016 -0.00023 0.00003 205 4YZ -0.00004 0.00009 -0.00017 -0.00037 0.00001 206 19 O 1S -0.00024 -0.00013 -0.00020 -0.00011 0.00009 207 2S 0.00029 0.00002 0.00084 0.00033 0.00071 208 2PX -0.00034 0.00094 -0.00241 -0.00564 0.00175 209 2PY 0.00010 0.00020 -0.00019 -0.00004 -0.00267 210 2PZ 0.00013 0.00025 0.00121 0.00106 -0.00785 211 3S 0.00307 0.00295 -0.00035 0.00057 -0.00339 212 3PX -0.00066 0.00079 -0.00135 -0.00308 0.00065 213 3PY -0.00094 -0.00115 0.00006 -0.00041 -0.00106 214 3PZ 0.00022 0.00088 0.00130 0.00193 -0.00708 215 4XX -0.00020 -0.00023 -0.00001 -0.00011 0.00035 216 4YY -0.00001 0.00002 0.00022 0.00022 0.00037 217 4ZZ -0.00012 -0.00014 0.00017 0.00010 0.00023 218 4XY 0.00012 0.00009 0.00008 0.00022 -0.00036 219 4XZ 0.00004 0.00006 -0.00007 -0.00009 0.00005 220 4YZ -0.00003 -0.00009 0.00000 -0.00002 0.00012 221 20 H 1S -0.00261 -0.00637 0.00103 -0.00124 0.00622 222 2S -0.00651 -0.01528 0.00583 0.00294 0.00216 223 21 H 1S -0.00209 0.01156 0.00621 0.00739 0.00095 224 2S 0.01358 0.02413 0.00210 -0.00061 0.00560 225 22 H 1S -0.01139 -0.01029 -0.01377 -0.01351 -0.00573 226 2S -0.01027 -0.00867 -0.01059 -0.01023 -0.01451 227 23 H 1S -0.00714 -0.01825 0.00190 0.00896 -0.00082 228 2S -0.01731 -0.03102 0.00471 0.01161 -0.00135 229 24 H 1S 0.00431 0.01044 -0.00073 0.00340 0.00031 230 2S 0.00565 0.01311 -0.00098 0.00524 -0.00069 231 25 H 1S -0.00479 -0.01161 0.00172 -0.00288 0.00048 232 2S -0.00783 -0.01835 0.00147 -0.00579 0.00736 233 26 H 1S 0.00026 0.00023 -0.00041 -0.00000 -0.00161 234 2S -0.00293 -0.00521 -0.00077 0.00039 -0.00384 141 142 143 144 145 141 2S 0.14915 142 13 H 1S -0.04575 0.21316 143 2S -0.05059 0.17450 0.16494 144 14 H 1S -0.01316 -0.01147 -0.01022 0.21389 145 2S -0.01001 -0.00982 -0.00796 0.16595 0.15460 146 15 C 1S 0.00764 -0.00171 -0.00018 0.00284 0.00575 147 2S -0.01657 0.00346 0.00103 -0.00547 -0.01365 148 2PX 0.02110 -0.00494 -0.00135 0.01513 0.01140 149 2PY 0.01740 -0.00404 -0.00189 0.00363 0.00304 150 2PZ 0.01218 -0.00320 0.00101 0.00056 -0.00211 151 3S -0.03221 0.00826 -0.00357 -0.01902 -0.02692 152 3PX 0.00735 -0.00356 -0.00208 0.01218 -0.00053 153 3PY 0.01143 -0.00319 0.00013 0.00049 -0.00014 154 3PZ 0.00294 -0.00308 -0.00213 0.00394 -0.00140 155 4XX 0.00200 -0.00014 -0.00012 -0.00049 -0.00157 156 4YY -0.00026 -0.00009 0.00005 0.00149 0.00269 157 4ZZ -0.00030 0.00001 0.00036 -0.00020 0.00006 158 4XY -0.00134 0.00040 -0.00046 0.00025 -0.00363 159 4XZ 0.00016 -0.00022 0.00038 -0.00038 -0.00009 160 4YZ -0.00208 0.00031 0.00072 0.00005 -0.00186 161 16 O 1S -0.00156 0.00016 -0.00038 0.00025 -0.00209 162 2S 0.00428 -0.00055 0.00040 -0.00158 0.00243 163 2PX -0.01391 0.00330 -0.00343 -0.00167 -0.00438 164 2PY 0.00064 -0.00052 0.00019 0.00098 0.01106 165 2PZ -0.01371 0.00264 0.00146 0.00288 -0.00427 166 3S 0.01064 -0.00035 0.00587 -0.00037 0.01837 167 3PX -0.01135 0.00238 -0.00327 -0.00195 -0.00685 168 3PY 0.00060 0.00008 -0.00019 -0.00229 0.00559 169 3PZ -0.01064 0.00202 0.00105 0.00252 -0.00363 170 4XX -0.00014 0.00001 0.00001 -0.00030 -0.00070 171 4YY 0.00057 -0.00012 -0.00020 -0.00015 -0.00122 172 4ZZ -0.00025 0.00000 -0.00033 -0.00035 -0.00069 173 4XY 0.00045 0.00000 0.00012 0.00025 0.00005 174 4XZ -0.00024 0.00007 0.00009 0.00020 0.00036 175 4YZ 0.00013 -0.00010 -0.00013 -0.00026 -0.00014 176 17 C 1S -0.00207 0.00018 -0.00052 0.00154 0.00426 177 2S 0.00570 0.00099 0.00378 -0.00396 -0.00890 178 2PX -0.00252 -0.00162 -0.00457 0.00645 0.00904 179 2PY 0.00128 -0.00040 0.00027 0.00362 -0.00202 180 2PZ -0.00487 0.00102 0.00069 0.00579 0.01026 181 3S 0.00885 -0.00847 -0.01049 -0.01378 -0.02265 182 3PX -0.00579 0.00271 0.00100 -0.00029 0.00051 183 3PY -0.00345 0.00204 0.00000 0.00155 0.00090 184 3PZ -0.00511 -0.00046 -0.00162 0.00101 0.00092 185 4XX -0.00094 0.00013 0.00037 -0.00016 -0.00004 186 4YY 0.00041 0.00005 0.00022 -0.00002 -0.00001 187 4ZZ 0.00026 -0.00010 -0.00034 -0.00006 -0.00001 188 4XY -0.00018 0.00011 0.00027 -0.00120 -0.00256 189 4XZ -0.00044 0.00013 0.00026 0.00039 0.00062 190 4YZ -0.00048 0.00009 0.00005 -0.00087 -0.00160 191 18 O 1S -0.00016 -0.00027 -0.00019 -0.00089 -0.00149 192 2S 0.00048 0.00038 0.00012 0.00150 0.00287 193 2PX -0.00582 -0.00044 0.00079 -0.00518 -0.00477 194 2PY -0.00143 -0.00007 0.00038 -0.00232 0.00063 195 2PZ 0.00142 0.00036 0.00035 -0.00714 -0.01506 196 3S 0.00067 0.00346 0.00421 0.00754 0.00993 197 3PX -0.00350 -0.00104 0.00014 -0.00487 -0.00471 198 3PY 0.00029 0.00058 0.00185 -0.00124 0.00064 199 3PZ 0.00135 -0.00050 -0.00075 -0.00686 -0.01248 200 4XX 0.00010 -0.00010 -0.00017 -0.00037 -0.00055 201 4YY 0.00002 -0.00007 0.00001 -0.00028 -0.00043 202 4ZZ 0.00014 -0.00013 -0.00020 -0.00017 0.00003 203 4XY -0.00027 -0.00011 -0.00013 -0.00007 -0.00009 204 4XZ 0.00014 0.00016 0.00021 0.00006 0.00014 205 4YZ 0.00002 -0.00002 -0.00008 -0.00022 -0.00042 206 19 O 1S -0.00030 0.00016 -0.00006 0.00108 -0.00447 207 2S 0.00156 -0.00078 -0.00064 -0.00367 0.00791 208 2PX 0.00174 0.00144 -0.00494 0.01021 -0.04629 209 2PY -0.00566 0.00111 0.00250 -0.00590 0.00387 210 2PZ -0.01238 0.00018 0.00788 0.00058 -0.02731 211 3S -0.00143 0.00073 0.00210 0.00225 0.02178 212 3PX 0.00009 0.00175 -0.00315 0.00397 -0.03410 213 3PY -0.00335 0.00026 0.00054 -0.00515 -0.00079 214 3PZ -0.01020 0.00094 0.00635 -0.00053 -0.01899 215 4XX 0.00028 -0.00013 -0.00014 0.00010 -0.00001 216 4YY 0.00042 -0.00010 -0.00023 -0.00066 -0.00167 217 4ZZ 0.00011 -0.00015 -0.00010 -0.00063 -0.00102 218 4XY -0.00065 0.00001 0.00022 -0.00069 0.00165 219 4XZ 0.00011 -0.00004 -0.00006 0.00013 -0.00006 220 4YZ 0.00019 0.00005 -0.00043 0.00012 0.00136 221 20 H 1S 0.00762 -0.00187 0.01189 -0.01342 -0.00914 222 2S 0.00010 0.01402 0.02478 -0.01408 -0.00815 223 21 H 1S -0.00094 -0.00251 -0.00647 -0.00585 -0.01709 224 2S 0.00398 -0.00596 -0.01468 -0.01267 -0.02383 225 22 H 1S -0.01115 -0.00657 -0.01361 0.00151 0.00175 226 2S -0.01884 -0.01561 -0.02246 0.00010 0.00485 227 23 H 1S -0.00092 0.00294 0.00728 -0.01020 -0.01947 228 2S -0.00297 0.01129 0.02072 -0.01571 -0.02300 229 24 H 1S -0.00233 -0.00126 0.00266 -0.00181 0.00802 230 2S -0.00223 0.00102 0.00952 0.00281 0.01229 231 25 H 1S 0.00554 -0.00054 -0.00530 -0.00206 0.00927 232 2S 0.00777 -0.00633 -0.01386 0.00422 0.01445 233 26 H 1S -0.00671 0.00413 0.01081 0.00682 0.00045 234 2S -0.00898 0.00949 0.01907 0.01210 0.00383 146 147 148 149 150 146 15 C 1S 2.05369 147 2S -0.07482 0.37275 148 2PX 0.01645 -0.03359 0.37252 149 2PY -0.00382 0.00522 0.04969 0.43645 150 2PZ 0.00896 -0.01832 0.03501 0.00348 0.30867 151 3S -0.11927 0.22234 -0.06761 -0.03794 -0.02253 152 3PX 0.02967 -0.04507 0.08208 0.00203 -0.04019 153 3PY 0.04823 -0.07183 0.01218 0.00446 0.01049 154 3PZ 0.00778 -0.01463 -0.03552 0.02202 0.12218 155 4XX -0.01130 -0.01406 0.00152 -0.01954 0.00041 156 4YY -0.01523 -0.00244 0.00203 0.01290 0.00165 157 4ZZ -0.00920 -0.01950 -0.00159 -0.01010 0.00184 158 4XY -0.00179 0.00381 -0.01148 0.00417 -0.01352 159 4XZ -0.00151 0.00392 0.00354 -0.00818 0.00761 160 4YZ 0.00030 -0.00149 -0.01451 0.00150 0.00597 161 16 O 1S 0.00789 -0.00845 -0.02735 0.01885 -0.01633 162 2S -0.01352 0.01379 0.06655 -0.03961 0.03934 163 2PX 0.05304 -0.11437 -0.14454 0.13264 -0.16125 164 2PY -0.03928 0.08069 0.13635 -0.07667 0.11708 165 2PZ 0.03403 -0.07323 -0.16910 0.10250 0.02588 166 3S 0.00224 -0.03403 0.03535 -0.01795 0.01698 167 3PX 0.02977 -0.05884 -0.08785 0.06823 -0.09005 168 3PY -0.02147 0.03693 0.06241 -0.02514 0.05851 169 3PZ 0.01715 -0.03289 -0.09311 0.04715 0.01599 170 4XX -0.00492 0.00999 0.00120 -0.01003 0.01106 171 4YY 0.00089 -0.00218 0.00141 0.01246 -0.00122 172 4ZZ 0.00073 0.00001 0.00315 -0.00053 -0.00712 173 4XY 0.00487 -0.00870 -0.00195 0.00041 -0.00532 174 4XZ -0.00522 0.00936 0.00634 -0.00943 -0.00284 175 4YZ 0.00273 -0.00443 -0.00325 -0.00143 0.00098 176 17 C 1S -0.00690 0.01071 -0.00041 -0.01489 0.00217 177 2S 0.01072 -0.02437 0.00515 0.04580 -0.00570 178 2PX -0.00587 0.02155 -0.03065 -0.01355 -0.01034 179 2PY 0.01064 -0.03073 -0.02558 0.03272 -0.01689 180 2PZ -0.00894 0.02757 -0.00254 -0.03003 -0.00388 181 3S 0.02362 -0.03771 0.01320 0.05680 -0.00455 182 3PX -0.01691 0.02224 -0.02155 0.00884 -0.00650 183 3PY 0.01190 -0.01009 0.00283 -0.02272 -0.00317 184 3PZ -0.01309 0.01277 -0.00996 0.01323 -0.01531 185 4XX -0.00008 -0.00108 -0.00112 0.00360 -0.00185 186 4YY -0.00138 0.00230 -0.00340 -0.00439 0.00492 187 4ZZ -0.00170 0.00253 0.00502 -0.00139 -0.00153 188 4XY 0.00247 -0.00605 -0.00784 0.00725 -0.00783 189 4XZ -0.00019 0.00106 0.00204 -0.00155 0.00263 190 4YZ 0.00107 -0.00300 -0.00423 0.00571 0.00100 191 18 O 1S 0.00069 -0.00217 -0.00264 0.00474 -0.00207 192 2S -0.00453 0.00849 0.00556 -0.00513 0.00445 193 2PX -0.00234 -0.00033 0.02420 -0.00082 0.02621 194 2PY -0.00883 0.02843 0.04827 -0.02856 0.00312 195 2PZ 0.00692 -0.02396 0.00064 0.01898 -0.03164 196 3S 0.01322 -0.01058 0.01383 -0.04397 0.01225 197 3PX -0.00240 0.00157 0.02094 0.00103 0.01969 198 3PY -0.00373 0.01531 0.03786 -0.02392 0.00535 199 3PZ 0.00169 -0.01143 -0.00002 0.01820 -0.02168 200 4XX -0.00076 -0.00029 -0.00169 0.00318 -0.00161 201 4YY -0.00144 0.00173 0.00145 0.00142 -0.00062 202 4ZZ -0.00098 0.00079 -0.00090 0.00226 0.00126 203 4XY -0.00013 0.00003 -0.00036 0.00011 0.00087 204 4XZ 0.00026 -0.00036 -0.00126 0.00057 -0.00058 205 4YZ 0.00017 -0.00099 -0.00097 0.00059 -0.00058 206 19 O 1S 0.01315 -0.01551 -0.00608 -0.04847 0.00289 207 2S -0.02373 0.02818 0.01769 0.10774 -0.00680 208 2PX -0.00104 0.01077 0.17697 -0.07166 -0.08124 209 2PY 0.10895 -0.24182 -0.07125 -0.37959 0.06085 210 2PZ -0.01450 0.03501 -0.08129 0.05776 0.28959 211 3S -0.01320 -0.03409 0.00571 0.01068 0.01448 212 3PX -0.00882 0.02164 0.09790 -0.04637 -0.05493 213 3PY 0.06031 -0.12234 -0.04028 -0.18843 0.02962 214 3PZ -0.01161 0.02547 -0.05588 0.02760 0.17534 215 4XX 0.00438 -0.00598 -0.00214 -0.00571 0.00037 216 4YY -0.00930 0.02070 0.00564 0.02246 -0.00606 217 4ZZ 0.00396 -0.00500 -0.00015 -0.00541 0.00355 218 4XY -0.00049 0.00132 -0.01659 0.00352 0.00320 219 4XZ 0.00028 -0.00071 0.00129 -0.00059 -0.00208 220 4YZ 0.00162 -0.00304 0.00316 -0.00532 -0.02071 221 20 H 1S 0.00864 -0.02601 0.03291 0.01795 -0.00053 222 2S 0.01273 -0.03259 0.04985 0.02574 0.01333 223 21 H 1S -0.00510 0.01388 -0.01502 -0.01268 0.00176 224 2S -0.00796 0.01866 -0.02229 -0.02269 0.00227 225 22 H 1S 0.00153 -0.00409 0.00650 0.00412 0.00545 226 2S 0.00438 -0.00958 0.00709 0.01229 0.00369 227 23 H 1S 0.00002 -0.00134 0.00160 0.00071 -0.00137 228 2S 0.00002 -0.00249 0.00387 0.00341 -0.00378 229 24 H 1S -0.00036 0.00137 0.00216 -0.00137 -0.00688 230 2S 0.00289 -0.00490 -0.01433 -0.00980 0.01819 231 25 H 1S -0.00014 -0.00025 -0.00156 0.00067 0.00343 232 2S -0.00015 -0.00137 -0.00243 0.00164 0.00632 233 26 H 1S 0.00072 -0.00099 0.00163 0.00125 0.00082 234 2S 0.00148 -0.00305 0.00405 0.00218 0.00132 151 152 153 154 155 151 3S 0.19089 152 3PX -0.03552 0.06825 153 3PY -0.04565 0.01422 0.03523 154 3PZ -0.00572 -0.00840 0.00483 0.06892 155 4XX -0.00534 0.00387 0.00545 -0.00057 0.00299 156 4YY -0.00764 -0.00060 -0.00421 0.00148 -0.00154 157 4ZZ -0.00791 0.00124 0.00533 0.00064 0.00099 158 4XY 0.00539 0.01183 -0.00001 0.00228 -0.00035 159 4XZ 0.00182 -0.00214 0.00142 0.00121 0.00043 160 4YZ 0.00313 0.00270 0.00034 0.00936 0.00065 161 16 O 1S 0.01637 0.00658 -0.02005 0.00654 -0.00351 162 2S -0.04474 -0.02090 0.04807 -0.01792 0.00854 163 2PX -0.04499 0.05811 0.06174 -0.00325 0.01773 164 2PY 0.05734 0.00046 0.02629 0.01473 0.01203 165 2PZ -0.02526 -0.00451 0.05585 0.04855 -0.01037 166 3S -0.09936 -0.05310 0.07541 -0.04066 0.01139 167 3PX -0.01552 0.04258 0.03404 0.00592 0.01184 168 3PY 0.02910 -0.00534 0.01497 0.00655 0.00569 169 3PZ -0.00680 0.00359 0.03498 0.02895 -0.00661 170 4XX 0.00713 -0.00303 -0.00433 0.00301 -0.00103 171 4YY -0.00172 0.00321 0.00129 0.00160 -0.00025 172 4ZZ 0.00230 0.00334 -0.00070 -0.00222 0.00054 173 4XY -0.00666 0.00120 -0.00065 -0.00168 -0.00046 174 4XZ 0.00497 -0.00014 -0.00420 -0.00300 0.00028 175 4YZ -0.00226 -0.00070 -0.00105 0.00141 0.00015 176 17 C 1S 0.02369 -0.00952 -0.02293 0.00189 0.00106 177 2S -0.03805 0.01534 0.02377 -0.00162 -0.00395 178 2PX 0.03458 -0.01722 -0.00394 -0.00288 -0.00213 179 2PY -0.03471 -0.00835 -0.03040 -0.00364 -0.01028 180 2PZ 0.03524 -0.00201 0.01321 -0.01367 0.00117 181 3S -0.01967 0.02612 0.01688 0.00979 -0.00208 182 3PX 0.02928 -0.00503 -0.00698 0.00446 0.00119 183 3PY 0.00490 0.00932 -0.00760 -0.00029 0.00031 184 3PZ 0.01466 -0.00276 0.00047 -0.00737 -0.00019 185 4XX 0.00122 0.00231 -0.00042 0.00123 0.00057 186 4YY -0.00193 -0.00514 -0.00025 0.00032 -0.00111 187 4ZZ 0.00282 0.00121 -0.00248 -0.00116 0.00062 188 4XY -0.00445 0.00045 0.00152 -0.00137 0.00008 189 4XZ 0.00180 0.00115 0.00046 0.00088 0.00018 190 4YZ 0.00116 0.00091 0.00186 0.00233 0.00002 191 18 O 1S 0.00028 0.00215 0.00244 0.00076 0.00018 192 2S 0.00094 -0.00633 0.00113 -0.00313 0.00005 193 2PX 0.02740 -0.00092 -0.02907 0.01585 -0.00005 194 2PY 0.05027 0.01530 0.00268 -0.01224 0.00601 195 2PZ -0.01501 0.00886 -0.03226 -0.00969 0.00195 196 3S -0.02222 -0.00745 -0.01713 -0.00306 -0.00067 197 3PX 0.01971 0.00086 -0.01382 0.01003 0.00029 198 3PY 0.02607 0.00951 -0.00310 -0.00795 0.00398 199 3PZ -0.00448 0.00694 -0.01646 -0.00592 0.00208 200 4XX -0.00073 0.00017 0.00114 -0.00028 0.00008 201 4YY 0.00272 0.00037 -0.00010 -0.00077 0.00006 202 4ZZ 0.00082 -0.00065 0.00172 0.00100 -0.00010 203 4XY 0.00045 -0.00049 -0.00109 0.00088 -0.00009 204 4XZ -0.00103 0.00027 0.00208 -0.00018 0.00008 205 4YZ -0.00125 -0.00022 -0.00122 0.00013 -0.00005 206 19 O 1S 0.02427 -0.00485 0.00700 -0.00300 0.00622 207 2S -0.06951 0.01179 -0.03593 0.00884 -0.01354 208 2PX 0.01571 0.19152 0.01156 0.00073 0.00635 209 2PY -0.13451 0.01552 0.03644 0.02432 0.02436 210 2PZ 0.03653 0.00013 -0.00596 0.17911 0.00060 211 3S -0.12471 0.00752 -0.04863 0.01376 -0.01137 212 3PX 0.02236 0.12052 0.00546 0.00176 0.00345 213 3PY -0.06735 0.01075 0.02179 0.01463 0.01282 214 3PZ 0.02660 0.00176 -0.00575 0.11142 0.00098 215 4XX -0.00133 -0.00008 0.00274 0.00001 0.00078 216 4YY 0.01310 -0.00064 -0.00192 -0.00292 -0.00137 217 4ZZ -0.00108 0.00090 0.00237 0.00170 0.00062 218 4XY 0.00161 -0.01001 -0.00079 0.00136 -0.00035 219 4XZ -0.00013 0.00100 0.00051 -0.00101 0.00011 220 4YZ -0.00199 0.00178 0.00042 -0.01104 0.00016 221 20 H 1S -0.02494 0.01065 0.01387 0.01011 -0.00125 222 2S -0.02264 0.00726 0.01192 0.00933 -0.00257 223 21 H 1S 0.03359 -0.01346 0.00224 -0.00326 0.00068 224 2S 0.03992 -0.01455 -0.00096 -0.00164 0.00032 225 22 H 1S -0.01308 0.00037 -0.00052 0.00209 -0.00083 226 2S -0.02229 0.00102 0.00022 0.00106 -0.00154 227 23 H 1S 0.00353 -0.00042 -0.00269 -0.00090 -0.00001 228 2S 0.00003 0.00104 -0.00091 -0.00187 -0.00044 229 24 H 1S 0.00478 0.00207 0.00502 -0.00344 0.00015 230 2S -0.00900 -0.00527 0.00367 0.00808 0.00090 231 25 H 1S -0.00271 0.00142 -0.00338 0.00247 -0.00006 232 2S 0.00112 0.00132 -0.00380 0.00632 -0.00041 233 26 H 1S -0.00992 0.00179 0.00312 0.00073 -0.00036 234 2S -0.01221 0.00165 0.00353 0.00076 -0.00068 156 157 158 159 160 156 4YY 0.00291 157 4ZZ -0.00094 0.00239 158 4XY -0.00023 0.00018 0.00622 159 4XZ -0.00088 0.00053 -0.00101 0.00116 160 4YZ 0.00006 -0.00055 0.00181 -0.00055 0.00385 161 16 O 1S 0.00171 0.00002 0.00853 -0.00486 0.00450 162 2S -0.00401 0.00030 -0.01898 0.01100 -0.00971 163 2PX -0.00903 -0.00405 0.01915 -0.00810 0.02793 164 2PY -0.02287 0.00537 -0.01127 0.01784 -0.00984 165 2PZ -0.00934 0.02345 0.03121 0.00535 -0.00856 166 3S -0.00579 0.00285 -0.02997 0.01344 -0.01566 167 3PX -0.00574 -0.00371 0.01351 -0.00515 0.02018 168 3PY -0.01267 0.00400 -0.00635 0.00987 -0.00703 169 3PZ -0.00739 0.01573 0.02178 0.00449 -0.00686 170 4XX 0.00011 0.00038 0.00004 0.00053 -0.00107 171 4YY 0.00052 -0.00038 0.00087 -0.00055 0.00085 172 4ZZ -0.00024 -0.00043 0.00031 -0.00035 0.00074 173 4XY 0.00108 0.00019 0.00022 -0.00070 -0.00018 174 4XZ 0.00042 -0.00121 -0.00108 -0.00016 0.00026 175 4YZ 0.00043 -0.00023 -0.00036 -0.00036 0.00067 176 17 C 1S -0.00320 -0.00101 -0.00036 0.00133 0.00063 177 2S 0.00701 0.00071 0.00108 -0.00281 -0.00174 178 2PX 0.00350 -0.00179 0.00246 -0.00392 0.00391 179 2PY 0.01172 0.00114 0.00350 -0.00398 -0.00550 180 2PZ -0.00503 0.00332 0.00234 0.00186 -0.00136 181 3S 0.00220 0.00189 0.00405 -0.00235 0.00139 182 3PX -0.00224 -0.00158 0.00221 -0.00018 0.00315 183 3PY 0.00048 0.00079 0.00246 -0.00122 0.00068 184 3PZ -0.00272 0.00120 0.00146 0.00138 -0.00155 185 4XX -0.00061 -0.00010 0.00062 0.00004 0.00074 186 4YY 0.00052 0.00061 -0.00026 0.00039 -0.00144 187 4ZZ -0.00015 -0.00077 -0.00055 -0.00013 0.00065 188 4XY 0.00042 -0.00013 0.00035 -0.00048 0.00068 189 4XZ -0.00047 0.00031 0.00035 0.00031 -0.00021 190 4YZ -0.00106 0.00099 0.00117 0.00045 -0.00025 191 18 O 1S -0.00011 0.00035 0.00043 -0.00001 0.00014 192 2S 0.00003 -0.00054 -0.00112 0.00020 -0.00022 193 2PX -0.00326 0.00268 0.00036 0.00298 -0.00293 194 2PY -0.00299 -0.00200 -0.00426 -0.00001 0.00355 195 2PZ 0.00266 -0.00409 -0.00193 -0.00205 0.00327 196 3S 0.00364 -0.00108 -0.00265 -0.00074 -0.00147 197 3PX -0.00320 0.00250 0.00009 0.00271 -0.00255 198 3PY -0.00106 -0.00190 -0.00419 0.00001 0.00196 199 3PZ 0.00110 -0.00321 -0.00137 -0.00145 0.00342 200 4XX -0.00013 -0.00006 0.00005 0.00000 0.00015 201 4YY -0.00006 -0.00004 -0.00007 -0.00000 0.00003 202 4ZZ -0.00021 0.00018 0.00012 0.00012 -0.00009 203 4XY -0.00006 0.00006 0.00011 0.00008 -0.00007 204 4XZ -0.00012 0.00008 0.00009 -0.00000 0.00006 205 4YZ 0.00001 -0.00004 0.00004 0.00003 -0.00005 206 19 O 1S -0.01356 0.00493 -0.00142 0.00134 0.00187 207 2S 0.02429 -0.01077 0.00300 -0.00272 -0.00371 208 2PX -0.00466 0.00225 0.05146 -0.00500 0.01001 209 2PY -0.00346 0.01838 -0.00692 0.00611 0.00369 210 2PZ 0.00634 -0.00900 0.00897 -0.00061 0.04007 211 3S 0.03121 -0.00884 -0.00194 -0.00283 -0.00506 212 3PX -0.00348 0.00127 0.03506 -0.00327 0.00677 213 3PY -0.00223 0.00938 -0.00248 0.00346 0.00270 214 3PZ 0.00423 -0.00643 0.00590 -0.00080 0.02691 215 4XX -0.00075 0.00061 -0.00022 0.00017 0.00015 216 4YY -0.00039 -0.00121 0.00061 -0.00019 -0.00033 217 4ZZ -0.00056 0.00056 0.00006 0.00020 0.00036 218 4XY 0.00011 -0.00014 -0.00181 0.00013 0.00006 219 4XZ -0.00021 0.00015 0.00020 0.00002 -0.00014 220 4YZ -0.00042 0.00052 0.00004 -0.00013 -0.00192 221 20 H 1S -0.00039 0.00537 -0.00258 0.00622 0.00530 222 2S -0.00027 0.00539 -0.00537 0.00490 0.00176 223 21 H 1S -0.00228 0.00076 -0.00025 0.00027 -0.00049 224 2S -0.00272 0.00121 0.00057 0.00024 -0.00129 225 22 H 1S 0.00124 -0.00065 0.00046 -0.00057 -0.00044 226 2S 0.00248 -0.00104 0.00094 -0.00136 -0.00091 227 23 H 1S -0.00025 -0.00017 -0.00019 0.00000 -0.00001 228 2S -0.00025 0.00011 -0.00059 0.00012 0.00010 229 24 H 1S 0.00013 0.00006 0.00047 -0.00003 -0.00019 230 2S 0.00124 -0.00033 -0.00172 0.00061 0.00210 231 25 H 1S -0.00028 -0.00004 -0.00006 -0.00012 0.00003 232 2S -0.00017 -0.00006 -0.00022 -0.00031 0.00059 233 26 H 1S 0.00012 0.00012 -0.00043 0.00015 0.00027 234 2S 0.00029 0.00029 -0.00098 0.00021 0.00036 161 162 163 164 165 161 16 O 1S 2.07598 162 2S -0.18032 0.50770 163 2PX -0.03408 0.07337 0.72220 164 2PY -0.01163 0.02469 0.03456 0.60440 165 2PZ -0.01032 0.02136 0.00257 0.06754 0.72160 166 3S -0.25341 0.62067 0.15301 0.05504 0.05430 167 3PX -0.01783 0.03842 0.45425 0.02420 -0.02136 168 3PY -0.00543 0.01160 0.02442 0.33621 0.07189 169 3PZ -0.00382 0.00789 -0.02088 0.07198 0.47529 170 4XX -0.01173 -0.01204 -0.03822 0.00474 0.00964 171 4YY -0.01722 0.00056 0.01050 -0.01196 -0.00008 172 4ZZ -0.01346 -0.00757 0.01291 0.00217 -0.01410 173 4XY 0.00178 -0.00421 -0.00894 -0.02462 -0.00189 174 4XZ 0.00025 -0.00086 -0.00500 -0.00338 -0.03252 175 4YZ 0.00258 -0.00570 0.00199 -0.00834 -0.01150 176 17 C 1S 0.00791 -0.01347 0.03033 0.06657 -0.01199 177 2S -0.00845 0.01371 -0.06674 -0.14092 0.02304 178 2PX -0.01629 0.04204 -0.01184 -0.16009 -0.01918 179 2PY -0.03277 0.07547 -0.15004 -0.26827 0.08863 180 2PZ 0.00597 -0.01056 -0.01189 0.07739 0.08367 181 3S 0.01629 -0.04425 -0.01683 -0.06844 0.02866 182 3PX -0.00169 -0.00025 0.07079 0.02768 -0.00121 183 3PY 0.01933 -0.04989 -0.02075 -0.00354 -0.00128 184 3PZ -0.01057 0.02461 0.02946 0.04384 0.06368 185 4XX 0.00273 -0.00551 0.02048 0.01479 0.00006 186 4YY -0.00839 0.01872 -0.02794 -0.01854 0.01805 187 4ZZ 0.00391 -0.00841 0.00936 0.01133 -0.02014 188 4XY -0.00701 0.01608 0.01506 -0.02466 0.00204 189 4XZ 0.00353 -0.00791 0.00018 0.01711 0.00758 190 4YZ 0.00187 -0.00387 0.00741 0.01621 0.02733 191 18 O 1S -0.00208 0.00434 0.00599 -0.00518 0.00840 192 2S 0.00268 -0.00452 -0.00760 0.01603 -0.01420 193 2PX 0.01851 -0.03491 -0.01780 0.08633 0.04462 194 2PY 0.02840 -0.05902 0.02878 0.08320 -0.09113 195 2PZ -0.00373 0.01197 0.05602 -0.04060 -0.07532 196 3S 0.01152 -0.02468 -0.07030 -0.02375 -0.06002 197 3PX 0.01200 -0.02126 -0.01233 0.07710 0.04291 198 3PY 0.01861 -0.03765 0.00704 0.04863 -0.08158 199 3PZ -0.00285 0.00919 0.05806 -0.02091 -0.05978 200 4XX -0.00114 0.00229 0.00643 0.00158 0.00154 201 4YY -0.00058 0.00149 0.00038 -0.00056 0.00073 202 4ZZ -0.00062 0.00130 0.00135 0.00208 0.00497 203 4XY -0.00024 0.00059 -0.00015 0.00079 0.00201 204 4XZ -0.00007 -0.00036 0.00250 0.00141 0.00155 205 4YZ -0.00036 0.00092 0.00123 0.00078 0.00082 206 19 O 1S -0.00209 0.00434 0.00248 0.01126 0.00132 207 2S 0.00273 -0.00462 0.00054 -0.02262 0.00310 208 2PX 0.02737 -0.05441 0.02273 -0.06179 0.09780 209 2PY -0.01376 0.03283 -0.00604 0.05009 -0.02428 210 2PZ 0.01460 -0.02768 0.08207 -0.07623 -0.08357 211 3S 0.01153 -0.02443 -0.06377 -0.05278 -0.05074 212 3PX 0.01792 -0.03408 0.01209 -0.04868 0.08156 213 3PY -0.00935 0.02230 0.01981 0.03927 -0.00038 214 3PZ 0.00928 -0.01668 0.06269 -0.06315 -0.07558 215 4XX -0.00114 0.00250 0.00453 0.00241 0.00193 216 4YY -0.00032 0.00041 0.00153 0.00176 0.00190 217 4ZZ -0.00084 0.00210 0.00139 0.00193 0.00264 218 4XY -0.00025 0.00014 0.00423 0.00070 0.00031 219 4XZ -0.00014 0.00013 0.00063 0.00091 0.00175 220 4YZ -0.00011 0.00005 0.00067 0.00135 0.00350 221 20 H 1S -0.00055 0.00424 -0.02254 0.01055 0.01213 222 2S -0.00080 0.00549 -0.04508 0.01884 0.01403 223 21 H 1S -0.00057 0.00428 -0.01887 -0.00580 0.01893 224 2S -0.00095 0.00575 -0.03739 -0.01715 0.02952 225 22 H 1S 0.00024 -0.00166 -0.00150 0.00076 0.00294 226 2S -0.00217 0.00252 0.00044 -0.01187 0.00502 227 23 H 1S 0.00007 0.00064 0.00041 -0.00019 -0.00229 228 2S -0.00016 0.00120 -0.00017 -0.00007 -0.00123 229 24 H 1S -0.00018 -0.00008 -0.00100 -0.00086 0.00321 230 2S -0.00125 0.00209 0.00285 -0.00019 -0.01168 231 25 H 1S 0.00041 -0.00055 0.00214 0.00064 -0.00230 232 2S 0.00104 -0.00139 0.00546 0.00028 -0.00437 233 26 H 1S -0.00019 0.00034 -0.00117 0.00044 0.00021 234 2S -0.00049 0.00104 -0.00291 0.00082 -0.00048 166 167 168 169 170 166 3S 0.85662 167 3PX 0.06710 0.29214 168 3PY 0.02374 0.01530 0.19615 169 3PZ 0.02327 -0.02751 0.06033 0.31852 170 4XX -0.02023 -0.02316 0.00288 0.00800 0.00278 171 4YY -0.00338 0.00704 -0.00590 -0.00082 -0.00058 172 4ZZ -0.01030 0.00902 0.00063 -0.00933 -0.00056 173 4XY -0.00670 -0.00564 -0.01314 -0.00219 0.00022 174 4XZ -0.00398 -0.00185 -0.00351 -0.02076 -0.00006 175 4YZ -0.00608 0.00150 -0.00501 -0.00800 -0.00021 176 17 C 1S 0.00194 0.01768 0.03567 -0.00776 -0.00035 177 2S -0.03405 -0.03676 -0.06631 0.01214 0.00160 178 2PX 0.02336 -0.01590 -0.09040 -0.01488 -0.00350 179 2PY 0.03670 -0.09112 -0.13158 0.04001 0.00718 180 2PZ -0.00528 -0.00523 0.03135 0.04951 0.00166 181 3S -0.09968 -0.00246 -0.02757 0.01756 0.00129 182 3PX -0.01815 0.04454 0.02615 -0.00064 -0.00257 183 3PY -0.09341 -0.00466 0.00406 -0.00338 0.00292 184 3PZ 0.03302 0.01950 0.02757 0.03642 -0.00018 185 4XX -0.00957 0.01365 0.01066 0.00004 -0.00057 186 4YY 0.02933 -0.02032 -0.01257 0.01262 0.00102 187 4ZZ -0.01143 0.00767 0.00574 -0.01401 -0.00038 188 4XY 0.02189 0.00916 -0.01410 -0.00106 -0.00125 189 4XZ -0.01500 0.00110 0.01200 0.00560 0.00053 190 4YZ -0.00549 0.00419 0.01194 0.01838 0.00029 191 18 O 1S 0.00275 0.00427 -0.00129 0.00478 -0.00031 192 2S -0.00187 -0.00509 0.00644 -0.00686 0.00058 193 2PX -0.15644 -0.00281 0.10182 0.03397 0.00650 194 2PY -0.18887 0.04307 0.06982 -0.07097 0.00012 195 2PZ -0.01601 0.05575 -0.01392 -0.07332 -0.00074 196 3S -0.02203 -0.04288 -0.01935 -0.03642 0.00401 197 3PX -0.10198 -0.00221 0.07878 0.03230 0.00447 198 3PY -0.12175 0.02142 0.04235 -0.06088 0.00055 199 3PZ -0.01108 0.05041 -0.00636 -0.05481 -0.00192 200 4XX 0.00729 0.00381 -0.00038 0.00056 -0.00040 201 4YY -0.00487 0.00134 0.00135 -0.00062 0.00003 202 4ZZ 0.00312 -0.00045 0.00143 0.00447 -0.00018 203 4XY -0.00016 -0.00051 0.00145 0.00183 0.00010 204 4XZ 0.00400 0.00095 -0.00069 0.00141 -0.00026 205 4YZ 0.00404 0.00075 -0.00005 0.00024 0.00004 206 19 O 1S 0.00296 0.00276 0.00565 0.00162 -0.00007 207 2S -0.00242 -0.00155 -0.01052 0.00134 0.00000 208 2PX -0.20531 0.04220 -0.06107 0.09625 0.00349 209 2PY 0.05056 0.00396 0.01829 -0.01065 0.00227 210 2PZ -0.12123 0.08925 -0.06619 -0.06723 0.00055 211 3S -0.02296 -0.04014 -0.02912 -0.03404 0.00336 212 3PX -0.13350 0.02573 -0.04393 0.07445 0.00288 213 3PY 0.03195 0.01685 0.01723 0.00260 0.00027 214 3PZ -0.07828 0.06480 -0.05189 -0.05802 -0.00046 215 4XX 0.00432 0.00269 0.00134 0.00110 -0.00026 216 4YY -0.00078 0.00057 0.00130 0.00144 -0.00016 217 4ZZ 0.00189 0.00116 0.00071 0.00183 -0.00003 218 4XY 0.00724 0.00148 0.00177 -0.00159 -0.00023 219 4XZ 0.00016 0.00027 0.00058 0.00136 -0.00004 220 4YZ 0.00460 -0.00146 0.00184 0.00303 -0.00029 221 20 H 1S 0.00118 -0.01491 0.00638 0.00867 0.00003 222 2S -0.00211 -0.02882 0.01264 0.01030 0.00145 223 21 H 1S 0.00160 -0.01267 -0.00300 0.01237 0.00083 224 2S -0.00083 -0.02398 -0.01018 0.01993 0.00218 225 22 H 1S 0.00014 -0.00290 0.00197 0.00046 -0.00021 226 2S 0.01941 -0.00383 -0.00933 0.00208 -0.00088 227 23 H 1S -0.00462 0.00135 0.00105 -0.00115 0.00013 228 2S -0.00285 0.00105 0.00097 -0.00081 0.00012 229 24 H 1S 0.00325 -0.00172 -0.00248 0.00296 -0.00019 230 2S 0.01101 0.00141 -0.00271 -0.00912 -0.00037 231 25 H 1S -0.00474 0.00220 0.00139 -0.00182 0.00021 232 2S -0.01104 0.00581 0.00134 -0.00342 0.00029 233 26 H 1S 0.00251 -0.00141 0.00048 -0.00039 -0.00004 234 2S 0.00416 -0.00275 0.00068 -0.00090 -0.00006 171 172 173 174 175 171 4YY 0.00133 172 4ZZ 0.00031 0.00106 173 4XY 0.00033 -0.00025 0.00154 174 4XZ -0.00013 0.00055 0.00006 0.00171 175 4YZ 0.00004 0.00014 0.00037 0.00048 0.00064 176 17 C 1S -0.00593 0.00308 -0.00656 0.00076 0.00139 177 2S 0.01086 -0.00471 0.01232 -0.00179 -0.00148 178 2PX 0.00802 0.00120 -0.00250 0.00280 -0.00066 179 2PY 0.00072 -0.00530 0.01370 -0.00283 0.00051 180 2PZ -0.00286 0.00343 -0.00526 -0.00538 -0.00950 181 3S 0.00757 -0.00111 0.00794 -0.00287 0.00008 182 3PX 0.00230 0.00203 -0.00456 0.00103 0.00064 183 3PY 0.00032 0.00190 0.00189 0.00004 -0.00097 184 3PZ -0.00248 0.00113 -0.00225 -0.00347 -0.00336 185 4XX 0.00020 0.00053 -0.00071 -0.00002 0.00018 186 4YY -0.00071 -0.00146 0.00044 -0.00050 -0.00004 187 4ZZ -0.00044 0.00106 -0.00044 0.00077 0.00010 188 4XY 0.00033 -0.00002 0.00084 -0.00030 0.00020 189 4XZ 0.00019 0.00012 -0.00035 -0.00028 -0.00039 190 4YZ -0.00008 -0.00021 -0.00060 -0.00126 -0.00030 191 18 O 1S -0.00049 -0.00038 0.00035 -0.00044 0.00044 192 2S 0.00105 0.00085 -0.00104 0.00070 -0.00102 193 2PX 0.00505 0.00077 -0.00332 0.00090 0.00212 194 2PY 0.00831 0.00909 -0.00207 0.00266 -0.00753 195 2PZ -0.00590 0.00584 0.00562 0.00149 0.00103 196 3S -0.00273 -0.00003 0.00238 0.00363 0.00199 197 3PX 0.00371 0.00036 -0.00267 -0.00026 0.00044 198 3PY 0.00452 0.00569 -0.00049 0.00289 -0.00380 199 3PZ -0.00240 0.00451 0.00292 0.00120 0.00037 200 4XX -0.00029 0.00003 -0.00005 -0.00024 -0.00007 201 4YY 0.00045 0.00034 0.00002 -0.00011 -0.00049 202 4ZZ 0.00044 -0.00034 -0.00037 -0.00012 0.00012 203 4XY 0.00001 -0.00013 -0.00020 0.00007 0.00028 204 4XZ -0.00002 -0.00013 -0.00004 -0.00016 -0.00008 205 4YZ -0.00061 -0.00002 0.00005 -0.00006 0.00021 206 19 O 1S -0.00108 -0.00004 -0.00021 -0.00005 0.00014 207 2S 0.00238 0.00012 0.00038 -0.00024 -0.00043 208 2PX 0.00832 0.00554 0.00258 -0.00083 -0.00430 209 2PY -0.00953 0.00017 0.00264 0.00080 0.00469 210 2PZ 0.00914 0.00043 -0.00325 0.00218 0.00645 211 3S -0.00141 -0.00062 0.00396 0.00272 0.00265 212 3PX 0.00548 0.00312 0.00160 -0.00102 -0.00305 213 3PY -0.00438 0.00053 0.00040 -0.00035 0.00196 214 3PZ 0.00603 0.00096 -0.00166 0.00253 0.00453 215 4XX -0.00009 0.00003 -0.00006 -0.00019 0.00001 216 4YY 0.00057 0.00009 -0.00049 0.00000 -0.00051 217 4ZZ -0.00001 -0.00003 -0.00006 -0.00018 0.00000 218 4XY -0.00035 -0.00028 -0.00017 -0.00015 0.00025 219 4XZ -0.00000 0.00003 -0.00000 -0.00007 -0.00007 220 4YZ -0.00044 0.00019 0.00028 -0.00005 -0.00030 221 20 H 1S 0.00120 0.00060 0.00056 -0.00155 0.00020 222 2S 0.00085 0.00013 0.00077 -0.00191 0.00007 223 21 H 1S -0.00025 0.00123 -0.00149 -0.00040 -0.00025 224 2S -0.00058 0.00072 -0.00121 -0.00080 -0.00040 225 22 H 1S -0.00010 -0.00058 -0.00009 0.00029 -0.00000 226 2S -0.00069 -0.00114 0.00034 0.00010 0.00032 227 23 H 1S 0.00020 0.00024 -0.00001 0.00002 -0.00000 228 2S 0.00010 0.00028 0.00019 -0.00012 -0.00013 229 24 H 1S -0.00014 -0.00013 0.00028 0.00010 -0.00029 230 2S -0.00047 -0.00057 0.00008 0.00058 0.00046 231 25 H 1S 0.00015 0.00019 -0.00016 -0.00014 0.00021 232 2S 0.00034 0.00053 -0.00021 -0.00017 0.00042 233 26 H 1S -0.00005 0.00001 -0.00003 0.00003 0.00003 234 2S -0.00009 -0.00002 0.00001 0.00005 0.00005 176 177 178 179 180 176 17 C 1S 2.05363 177 2S -0.07484 0.37295 178 2PX 0.01252 -0.02689 0.40075 179 2PY 0.01454 -0.02799 -0.00803 0.35768 180 2PZ 0.00107 -0.00357 0.07562 -0.03728 0.35912 181 3S -0.11814 0.22041 -0.07178 -0.01584 -0.03305 182 3PX 0.04274 -0.06434 0.08710 -0.00698 -0.04873 183 3PY -0.01470 0.02013 -0.00843 0.03470 0.05464 184 3PZ 0.03547 -0.05522 -0.03589 0.04961 0.08626 185 4XX -0.01240 -0.01149 -0.00652 -0.00107 -0.01368 186 4YY -0.01198 -0.01095 0.01183 0.01490 -0.00481 187 4ZZ -0.01138 -0.01357 -0.01000 0.00002 0.00920 188 4XY 0.00075 -0.00209 -0.00472 0.01915 -0.00275 189 4XZ -0.00342 0.00869 -0.00354 -0.00668 0.00321 190 4YZ 0.00236 -0.00718 -0.00897 0.00219 -0.00862 191 18 O 1S 0.01318 -0.01559 -0.02278 0.02999 -0.03121 192 2S -0.02361 0.02796 0.05418 -0.06506 0.06881 193 2PX 0.03901 -0.07989 0.08399 0.11234 -0.23664 194 2PY -0.07825 0.17906 0.11135 -0.04181 0.26535 195 2PZ 0.06669 -0.14675 -0.23782 0.26845 0.04718 196 3S -0.01415 -0.03190 0.00742 0.00378 0.01586 197 3PX 0.01471 -0.02711 0.05026 0.05277 -0.13863 198 3PY -0.04887 0.10213 0.04725 -0.00737 0.14121 199 3PZ 0.03581 -0.07155 -0.13618 0.14434 0.04326 200 4XX 0.00230 -0.00166 -0.01076 -0.00113 0.00457 201 4YY -0.00196 0.00620 0.00631 0.00664 0.01371 202 4ZZ -0.00113 0.00488 0.01161 -0.01260 -0.01208 203 4XY 0.00439 -0.00884 0.00419 0.00326 -0.01450 204 4XZ -0.00369 0.00733 -0.00251 -0.01097 0.00423 205 4YZ 0.00664 -0.01276 -0.01278 0.00865 -0.00498 206 19 O 1S 0.00067 -0.00220 -0.00048 -0.00538 0.00228 207 2S -0.00457 0.00861 0.00286 0.00831 -0.00133 208 2PX -0.00625 0.01301 0.02658 0.04277 0.00543 209 2PY 0.00952 -0.03441 -0.00652 -0.03688 0.01433 210 2PZ -0.00101 0.00356 0.02899 -0.00132 -0.02512 211 3S 0.01366 -0.01098 -0.00514 0.04153 -0.02449 212 3PX -0.00375 0.00831 0.02309 0.03371 0.00417 213 3PY 0.00253 -0.01669 -0.00324 -0.03137 0.01403 214 3PZ -0.00108 0.00274 0.02187 0.00110 -0.01594 215 4XX -0.00103 0.00019 0.00013 -0.00269 0.00163 216 4YY -0.00111 0.00159 0.00087 -0.00102 0.00127 217 4ZZ -0.00111 0.00048 0.00063 -0.00171 0.00142 218 4XY 0.00047 -0.00118 -0.00107 -0.00230 -0.00006 219 4XZ -0.00004 0.00007 -0.00031 -0.00023 0.00015 220 4YZ 0.00022 -0.00052 -0.00137 0.00005 0.00147 221 20 H 1S -0.00511 0.01396 -0.01842 0.00380 -0.00585 222 2S -0.00802 0.01878 -0.02905 0.00781 -0.01204 223 21 H 1S 0.00869 -0.02620 0.03685 -0.00010 0.00737 224 2S 0.01292 -0.03306 0.05397 0.01042 0.01958 225 22 H 1S 0.00284 -0.00547 0.01523 0.00338 0.00076 226 2S 0.00583 -0.01393 0.01096 0.00130 0.00008 227 23 H 1S -0.00060 0.00089 -0.00270 -0.00067 -0.00238 228 2S -0.00068 0.00257 -0.01090 0.00372 0.00038 229 24 H 1S -0.00028 0.00235 -0.00201 0.00073 0.00073 230 2S 0.00092 0.00138 -0.00453 -0.00198 -0.00023 231 25 H 1S -0.00005 -0.00108 0.00077 -0.00039 -0.00122 232 2S -0.00021 -0.00192 0.00137 -0.00087 -0.00162 233 26 H 1S 0.00022 -0.00030 0.00047 -0.00003 0.00038 234 2S 0.00022 -0.00036 0.00075 0.00036 0.00052 181 182 183 184 185 181 3S 0.18873 182 3PX -0.04609 0.07465 183 3PY 0.01310 -0.00220 0.04023 184 3PZ -0.03129 -0.00511 0.01862 0.05717 185 4XX -0.00333 0.01073 0.00116 0.00100 0.00344 186 4YY -0.01103 -0.00442 -0.00820 -0.00217 -0.00214 187 4ZZ -0.00626 -0.00019 0.00554 0.00639 0.00063 188 4XY 0.00055 -0.00321 -0.00220 0.00468 -0.00044 189 4XZ 0.00448 0.00347 0.00568 0.00065 0.00107 190 4YZ 0.00200 0.00585 -0.00054 0.00341 0.00189 191 18 O 1S 0.02336 -0.00159 -0.00725 0.00255 0.00252 192 2S -0.06787 -0.00315 0.03097 -0.01860 -0.00628 193 2PX -0.03622 0.18024 0.03753 -0.02459 0.03621 194 2PY 0.11302 0.02851 0.11299 0.05191 0.00419 195 2PZ -0.07024 -0.03143 0.07733 0.11948 0.00738 196 3S -0.12096 -0.01176 0.03881 -0.02344 -0.00596 197 3PX -0.00648 0.11271 0.02597 -0.01605 0.02314 198 3PY 0.06735 0.01806 0.07186 0.03154 0.00409 199 3PZ -0.03145 -0.01858 0.04971 0.07257 0.00413 200 4XX 0.00140 -0.00536 -0.00190 0.00334 -0.00056 201 4YY 0.00497 0.00199 0.00552 0.00522 0.00027 202 4ZZ 0.00386 0.00475 -0.00609 -0.00724 0.00028 203 4XY -0.00503 0.00667 -0.00226 -0.00257 0.00114 204 4XZ 0.00455 -0.00512 -0.00266 -0.00183 -0.00098 205 4YZ -0.00664 -0.00180 -0.00073 0.00332 0.00023 206 19 O 1S 0.00022 0.00267 0.00009 0.00175 0.00036 207 2S 0.00109 -0.00479 -0.00579 -0.00010 -0.00060 208 2PX 0.04493 -0.00724 0.02265 -0.00784 -0.00003 209 2PY -0.03053 -0.01633 0.02342 -0.01873 -0.00070 210 2PZ 0.02159 0.01207 0.00192 -0.02473 0.00228 211 3S -0.02163 -0.01278 0.00527 -0.01228 -0.00134 212 3PX 0.02815 -0.00299 0.01342 -0.00389 -0.00037 213 3PY -0.01178 -0.00617 0.01095 -0.00685 0.00024 214 3PZ 0.01256 0.00766 0.00217 -0.01661 0.00139 215 4XX 0.00037 -0.00013 0.00006 0.00018 0.00001 216 4YY 0.00171 0.00144 -0.00200 0.00189 0.00004 217 4ZZ 0.00083 -0.00037 0.00017 -0.00019 -0.00006 218 4XY -0.00223 0.00097 -0.00121 0.00074 0.00010 219 4XZ 0.00025 0.00003 0.00003 0.00018 0.00004 220 4YZ -0.00099 -0.00054 0.00023 0.00146 -0.00004 221 20 H 1S 0.03328 -0.01033 -0.00858 0.00142 0.00018 222 2S 0.04068 -0.01213 -0.00594 0.00088 0.00042 223 21 H 1S -0.02362 0.01291 0.00120 0.01589 -0.00439 224 2S -0.02059 0.00962 -0.00011 0.01465 -0.00638 225 22 H 1S -0.01941 0.01089 0.00544 0.00210 -0.00003 226 2S -0.02647 -0.00153 -0.00240 0.00028 -0.00290 227 23 H 1S 0.01493 -0.00418 0.00176 -0.00411 0.00104 228 2S 0.01829 -0.00746 0.00167 -0.00183 0.00151 229 24 H 1S -0.01024 -0.00033 0.00110 -0.00178 0.00018 230 2S -0.01724 0.00030 0.00111 -0.00401 0.00080 231 25 H 1S 0.00699 0.00169 -0.00090 0.00276 -0.00013 232 2S 0.01240 0.00152 0.00058 0.00319 -0.00027 233 26 H 1S 0.00136 -0.00031 -0.00100 0.00075 -0.00004 234 2S 0.00169 -0.00079 -0.00145 0.00062 0.00006 186 187 188 189 190 186 4YY 0.00589 187 4ZZ -0.00204 0.00306 188 4XY 0.00112 0.00010 0.00332 189 4XZ -0.00235 0.00055 -0.00163 0.00225 190 4YZ -0.00072 -0.00029 0.00009 0.00077 0.00290 191 18 O 1S -0.00237 -0.00257 0.00717 -0.00516 0.00909 192 2S 0.00296 0.00338 -0.01396 0.00985 -0.01720 193 2PX -0.01682 -0.00189 -0.01410 0.01984 0.02266 194 2PY -0.04326 0.01462 -0.01036 0.02255 -0.00056 195 2PZ -0.01124 0.02958 0.02000 0.00076 0.00137 196 3S 0.00964 0.00716 -0.01360 0.00820 -0.02127 197 3PX -0.01281 -0.00207 -0.01053 0.01440 0.01518 198 3PY -0.02747 0.01052 -0.00563 0.01390 0.00005 199 3PZ -0.00982 0.01881 0.01197 0.00144 0.00005 200 4XX 0.00020 0.00034 0.00099 -0.00075 0.00003 201 4YY -0.00172 0.00068 0.00024 0.00081 0.00037 202 4ZZ 0.00064 -0.00178 -0.00078 -0.00016 0.00059 203 4XY 0.00055 -0.00050 -0.00023 -0.00002 0.00080 204 4XZ 0.00031 -0.00050 -0.00003 -0.00039 -0.00045 205 4YZ 0.00076 0.00072 0.00085 -0.00059 0.00025 206 19 O 1S -0.00013 0.00015 -0.00011 0.00018 0.00040 207 2S 0.00046 -0.00026 0.00062 -0.00053 -0.00067 208 2PX 0.00280 -0.00313 0.00305 -0.00052 0.00346 209 2PY 0.00036 -0.00004 -0.00266 0.00166 -0.00120 210 2PZ -0.00460 0.00363 0.00517 -0.00345 -0.00453 211 3S 0.00249 0.00084 -0.00071 -0.00111 -0.00363 212 3PX 0.00316 -0.00286 0.00254 -0.00063 0.00271 213 3PY -0.00095 -0.00002 -0.00113 0.00127 0.00038 214 3PZ -0.00351 0.00297 0.00424 -0.00278 -0.00402 215 4XX -0.00013 -0.00004 0.00006 0.00005 0.00009 216 4YY -0.00005 0.00002 0.00008 -0.00006 0.00016 217 4ZZ 0.00004 -0.00012 0.00001 0.00003 0.00008 218 4XY -0.00014 0.00006 0.00005 -0.00002 0.00002 219 4XZ -0.00001 -0.00005 -0.00001 0.00005 0.00011 220 4YZ 0.00007 -0.00011 -0.00007 0.00011 0.00021 221 20 H 1S 0.00016 -0.00115 0.00080 -0.00088 0.00147 222 2S 0.00040 -0.00194 0.00003 -0.00064 0.00221 223 21 H 1S 0.00193 0.00623 0.00562 0.00273 0.00357 224 2S 0.00502 0.00401 0.00434 -0.00006 0.00225 225 22 H 1S 0.00010 0.00070 -0.00087 0.00043 -0.00082 226 2S 0.00361 0.00052 -0.00022 -0.00153 -0.00269 227 23 H 1S 0.00024 -0.00083 -0.00020 -0.00021 0.00007 228 2S 0.00006 -0.00102 0.00009 -0.00012 0.00004 229 24 H 1S 0.00006 -0.00026 0.00032 0.00032 0.00006 230 2S -0.00067 0.00024 0.00052 0.00043 -0.00057 231 25 H 1S -0.00013 0.00024 -0.00032 -0.00035 0.00015 232 2S -0.00033 0.00045 -0.00053 -0.00048 0.00006 233 26 H 1S 0.00009 0.00011 -0.00000 0.00006 -0.00010 234 2S 0.00021 -0.00001 -0.00018 0.00005 -0.00022 191 192 193 194 195 191 18 O 1S 2.07883 192 2S -0.18310 0.50491 193 2PX -0.01651 0.03898 0.71499 194 2PY 0.03009 -0.06133 0.09796 0.67511 195 2PZ -0.02776 0.05648 0.04538 0.02589 0.59636 196 3S -0.24401 0.59767 0.07612 -0.18477 0.17113 197 3PX -0.01229 0.02549 0.45601 0.09203 0.00795 198 3PY 0.02552 -0.04875 0.08199 0.40890 0.04736 199 3PZ -0.02209 0.04118 0.01757 0.05087 0.35520 200 4XX -0.01188 -0.01045 -0.02095 -0.00552 0.00568 201 4YY -0.01130 -0.01073 0.00662 0.03377 0.00688 202 4ZZ -0.01218 -0.00894 0.00702 -0.00746 -0.03213 203 4XY 0.00008 -0.00090 0.02170 -0.01221 -0.00320 204 4XZ 0.00136 -0.00217 -0.02127 -0.00351 -0.01256 205 4YZ -0.00122 0.00121 -0.00198 -0.01837 0.01953 206 19 O 1S 0.00023 0.00017 0.00121 0.00278 -0.00138 207 2S 0.00023 0.00080 -0.00795 -0.00440 -0.00189 208 2PX 0.00223 -0.00852 -0.00867 -0.03535 -0.00488 209 2PY -0.00223 -0.00126 0.00838 0.02039 -0.00490 210 2PZ 0.00080 -0.00277 -0.02816 0.01494 0.04102 211 3S -0.00394 0.00005 0.01365 -0.02307 0.02844 212 3PX 0.00147 -0.00516 -0.00587 -0.02985 -0.00606 213 3PY 0.00003 -0.00134 0.00309 0.01960 -0.00772 214 3PZ 0.00029 -0.00143 -0.02366 0.01392 0.03388 215 4XX 0.00023 0.00006 -0.00139 0.00157 -0.00137 216 4YY 0.00028 0.00037 -0.00183 0.00011 -0.00177 217 4ZZ 0.00024 0.00000 -0.00121 0.00091 -0.00185 218 4XY -0.00001 0.00020 -0.00065 0.00007 0.00025 219 4XZ 0.00002 -0.00001 0.00050 -0.00013 -0.00037 220 4YZ 0.00003 -0.00007 0.00057 -0.00084 -0.00106 221 20 H 1S 0.00135 -0.00180 0.01489 -0.00432 -0.00131 222 2S 0.00144 -0.00220 0.02730 -0.00640 -0.00121 223 21 H 1S 0.00103 0.00006 -0.01805 0.02117 0.03680 224 2S -0.00099 0.00462 -0.02408 0.00725 0.02209 225 22 H 1S 0.00112 -0.00351 0.00706 0.00753 -0.00527 226 2S -0.00460 0.00845 -0.03905 -0.03791 -0.00761 227 23 H 1S 0.00043 -0.00175 0.00758 -0.00340 -0.00634 228 2S 0.00027 -0.00127 0.00824 -0.00262 0.00076 229 24 H 1S -0.00019 -0.00043 0.00006 0.00059 0.00081 230 2S -0.00028 -0.00090 0.00138 0.00749 0.00704 231 25 H 1S 0.00027 -0.00001 0.00101 -0.00060 -0.00045 232 2S 0.00033 0.00004 0.00020 -0.00066 -0.00056 233 26 H 1S -0.00002 0.00039 -0.00085 0.00002 -0.00013 234 2S -0.00009 0.00048 0.00027 -0.00058 -0.00203 196 197 198 199 200 196 3S 0.77123 197 3PX 0.03668 0.29501 198 3PY -0.11343 0.06846 0.25239 199 3PZ 0.09953 0.00075 0.04857 0.21567 200 4XX -0.01224 -0.01347 -0.00355 0.00353 0.00118 201 4YY -0.01746 0.00538 0.02065 0.00559 0.00001 202 4ZZ -0.01511 0.00531 -0.00579 -0.01944 -0.00023 203 4XY 0.00196 0.01304 -0.00679 -0.00306 -0.00058 204 4XZ -0.00583 -0.01284 -0.00330 -0.00706 0.00057 205 4YZ 0.00818 -0.00279 -0.01005 0.01053 0.00046 206 19 O 1S -0.00365 0.00132 0.00077 -0.00008 0.00020 207 2S -0.00068 -0.00498 -0.00224 -0.00126 0.00025 208 2PX 0.00128 -0.00665 -0.02710 -0.00569 -0.00116 209 2PY 0.03759 0.00483 0.01914 -0.00836 -0.00234 210 2PZ -0.00014 -0.02488 0.01224 0.03514 0.00073 211 3S 0.03750 0.00291 -0.00519 0.01014 -0.00147 212 3PX -0.00011 -0.00467 -0.02281 -0.00571 -0.00075 213 3PY 0.01034 0.00334 0.01385 -0.00569 -0.00089 214 3PZ 0.00189 -0.02038 0.01119 0.02786 0.00053 215 4XX -0.00089 -0.00063 0.00070 -0.00059 0.00005 216 4YY -0.00383 -0.00077 -0.00074 -0.00041 0.00021 217 4ZZ -0.00064 -0.00054 0.00030 -0.00098 0.00001 218 4XY -0.00074 -0.00046 0.00001 0.00036 0.00014 219 4XZ -0.00021 0.00042 -0.00016 -0.00026 -0.00000 220 4YZ -0.00012 0.00061 -0.00073 -0.00110 0.00000 221 20 H 1S -0.01390 0.01425 -0.00342 0.00063 0.00051 222 2S -0.01253 0.02298 -0.00420 -0.00036 0.00023 223 21 H 1S -0.01027 -0.01413 0.01132 0.02817 0.00061 224 2S -0.00511 -0.01829 0.00050 0.01754 0.00041 225 22 H 1S 0.00107 0.00203 0.00402 -0.00441 -0.00036 226 2S 0.02087 -0.02965 -0.02492 -0.00744 0.00073 227 23 H 1S -0.00012 0.00538 -0.00203 -0.00376 -0.00035 228 2S -0.00043 0.00676 -0.00128 0.00039 -0.00012 229 24 H 1S 0.00545 -0.00051 0.00186 -0.00080 -0.00028 230 2S 0.00872 -0.00022 0.00801 0.00318 -0.00040 231 25 H 1S -0.00509 0.00089 -0.00177 0.00078 0.00020 232 2S -0.00644 0.00034 -0.00259 0.00106 0.00030 233 26 H 1S -0.00134 -0.00031 -0.00029 0.00020 0.00012 234 2S -0.00126 0.00050 -0.00066 -0.00109 0.00006 201 202 203 204 205 201 4YY 0.00219 202 4ZZ -0.00040 0.00226 203 4XY -0.00052 0.00069 0.00111 204 4XZ -0.00041 0.00044 -0.00060 0.00095 205 4YZ -0.00072 -0.00087 0.00024 -0.00030 0.00125 206 19 O 1S 0.00022 0.00027 0.00001 0.00002 -0.00003 207 2S 0.00016 0.00013 -0.00019 0.00020 -0.00012 208 2PX -0.00075 -0.00062 0.00090 -0.00022 0.00032 209 2PY -0.00205 -0.00206 -0.00008 0.00002 -0.00019 210 2PZ 0.00040 -0.00177 -0.00046 -0.00052 0.00015 211 3S -0.00153 -0.00222 0.00084 -0.00149 0.00142 212 3PX -0.00055 -0.00015 0.00076 -0.00014 0.00025 213 3PY -0.00059 -0.00065 -0.00026 0.00034 -0.00047 214 3PZ 0.00043 -0.00165 -0.00053 -0.00038 0.00011 215 4XX 0.00003 0.00005 -0.00008 0.00010 -0.00008 216 4YY 0.00019 0.00023 -0.00005 0.00009 -0.00007 217 4ZZ 0.00001 0.00006 -0.00005 0.00008 -0.00008 218 4XY -0.00003 0.00006 -0.00004 0.00007 0.00003 219 4XZ -0.00000 0.00003 0.00001 0.00001 -0.00001 220 4YZ -0.00003 0.00003 -0.00000 0.00004 0.00002 221 20 H 1S 0.00045 0.00083 0.00025 -0.00014 -0.00001 222 2S 0.00036 0.00099 0.00050 -0.00041 0.00008 223 21 H 1S 0.00243 -0.00091 -0.00037 -0.00060 0.00077 224 2S 0.00188 -0.00047 -0.00028 -0.00056 0.00061 225 22 H 1S -0.00024 -0.00036 0.00072 -0.00043 -0.00024 226 2S -0.00267 -0.00050 0.00016 0.00081 0.00098 227 23 H 1S -0.00053 0.00009 0.00019 -0.00019 -0.00001 228 2S -0.00022 -0.00025 0.00010 -0.00025 0.00021 229 24 H 1S -0.00014 -0.00037 -0.00004 0.00017 -0.00009 230 2S -0.00004 -0.00089 -0.00013 0.00010 -0.00012 231 25 H 1S 0.00007 0.00029 0.00003 -0.00013 0.00009 232 2S 0.00003 0.00038 0.00002 -0.00018 0.00014 233 26 H 1S 0.00009 0.00009 0.00000 -0.00001 0.00003 234 2S 0.00005 0.00015 0.00005 -0.00005 -0.00000 206 207 208 209 210 206 19 O 1S 2.07888 207 2S -0.18288 0.50383 208 2PX -0.00069 0.00729 0.75528 209 2PY -0.04392 0.09043 0.01254 0.59838 210 2PZ 0.00438 -0.01066 0.09521 0.00014 0.63325 211 3S -0.24555 0.59981 -0.02254 0.26527 -0.01945 212 3PX 0.00097 0.00080 0.49599 -0.00213 0.06598 213 3PY -0.03516 0.06660 0.01363 0.31273 0.00521 214 3PZ 0.00435 -0.00988 0.06628 0.00497 0.41153 215 4XX -0.01189 -0.01073 -0.00201 0.00617 -0.00091 216 4YY -0.01030 -0.01131 0.00268 -0.04230 -0.00221 217 4ZZ -0.01294 -0.00846 0.00342 0.00630 0.00460 218 4XY 0.00027 -0.00065 -0.03600 -0.00067 -0.00023 219 4XZ 0.00101 -0.00214 0.00302 -0.00044 -0.00312 220 4YZ -0.00034 0.00055 0.00002 0.00228 -0.03593 221 20 H 1S 0.00100 -0.00010 -0.01490 0.00649 0.04324 222 2S -0.00117 0.00475 -0.02376 0.00310 0.02477 223 21 H 1S 0.00130 -0.00160 0.01217 0.00694 -0.00592 224 2S 0.00141 -0.00199 0.02234 0.01215 -0.00950 225 22 H 1S -0.00086 0.00139 -0.00441 -0.00555 -0.00605 226 2S -0.00147 0.00279 -0.00206 -0.01335 -0.00987 227 23 H 1S 0.00000 -0.00005 -0.00056 0.00012 -0.00028 228 2S -0.00011 0.00059 -0.00442 -0.00156 -0.00020 229 24 H 1S 0.00168 -0.00402 0.00608 -0.00279 -0.00398 230 2S -0.00644 0.01203 -0.02381 0.02637 0.03371 231 25 H 1S -0.00056 0.00109 -0.00144 0.00084 0.00125 232 2S -0.00064 0.00150 -0.00401 0.00126 0.00758 233 26 H 1S -0.00052 0.00174 -0.00463 0.00047 0.00273 234 2S -0.00049 0.00154 -0.00995 0.00056 0.00307 211 212 213 214 215 211 3S 0.78038 212 3PX -0.02329 0.32771 213 3PY 0.15385 0.00379 0.16649 214 3PZ -0.01382 0.04566 0.00563 0.26917 215 4XX -0.01147 -0.00139 0.00312 -0.00054 0.00055 216 4YY -0.02554 0.00267 -0.02188 -0.00167 -0.00018 217 4ZZ -0.00886 0.00217 0.00327 0.00296 0.00046 218 4XY 0.00014 -0.02317 -0.00046 -0.00031 0.00012 219 4XZ -0.00288 0.00197 -0.00025 -0.00202 0.00005 220 4YZ 0.00129 -0.00020 0.00102 -0.02301 0.00009 221 20 H 1S -0.00897 -0.01350 0.00745 0.02971 0.00058 222 2S -0.00267 -0.01988 0.00517 0.01561 0.00039 223 21 H 1S -0.01367 0.01195 0.00741 -0.00407 0.00070 224 2S -0.01180 0.01969 0.00965 -0.00692 0.00064 225 22 H 1S 0.00743 -0.00394 -0.00573 -0.00505 -0.00039 226 2S 0.00966 -0.00253 -0.01103 -0.00779 -0.00057 227 23 H 1S 0.00080 -0.00025 0.00017 -0.00003 -0.00003 228 2S -0.00001 -0.00323 -0.00044 0.00026 0.00000 229 24 H 1S -0.00842 0.00312 0.00063 -0.00122 0.00006 230 2S 0.02249 -0.01678 0.01491 0.02356 -0.00006 231 25 H 1S 0.00438 -0.00115 -0.00055 0.00012 -0.00013 232 2S 0.00362 -0.00304 0.00022 0.00365 -0.00002 233 26 H 1S 0.00101 -0.00325 -0.00028 0.00145 0.00009 234 2S 0.00128 -0.00715 -0.00035 0.00168 0.00013 216 217 218 219 220 216 4YY 0.00334 217 4ZZ -0.00021 0.00048 218 4XY -0.00011 -0.00015 0.00194 219 4XZ 0.00009 0.00003 -0.00016 0.00005 220 4YZ -0.00000 -0.00023 -0.00018 0.00020 0.00218 221 20 H 1S -0.00017 0.00154 -0.00018 0.00018 -0.00193 222 2S -0.00008 0.00129 -0.00019 0.00009 -0.00142 223 21 H 1S 0.00056 0.00062 -0.00021 0.00003 0.00025 224 2S 0.00036 0.00071 -0.00054 0.00006 0.00044 225 22 H 1S -0.00006 -0.00043 -0.00006 -0.00005 0.00006 226 2S 0.00018 -0.00058 -0.00014 -0.00009 0.00028 227 23 H 1S 0.00001 -0.00001 -0.00006 -0.00005 0.00007 228 2S 0.00021 0.00005 0.00007 -0.00006 0.00011 229 24 H 1S -0.00029 0.00004 -0.00042 -0.00032 0.00051 230 2S -0.00273 0.00004 0.00130 -0.00061 -0.00182 231 25 H 1S 0.00005 -0.00015 0.00017 0.00009 -0.00019 232 2S 0.00003 0.00001 0.00032 0.00001 -0.00051 233 26 H 1S 0.00026 0.00014 0.00021 0.00012 -0.00017 234 2S 0.00020 0.00015 0.00036 0.00008 -0.00019 221 222 223 224 225 221 20 H 1S 0.21193 222 2S 0.15777 0.13919 223 21 H 1S -0.02493 -0.02391 0.21201 224 2S -0.02402 -0.02051 0.15806 0.13903 225 22 H 1S -0.00594 -0.01301 -0.01341 -0.01423 0.21400 226 2S -0.01636 -0.02280 -0.00952 -0.00912 0.16527 227 23 H 1S 0.00315 0.00786 -0.00772 -0.01913 -0.02054 228 2S 0.01229 0.02241 -0.01774 -0.03121 -0.02358 229 24 H 1S -0.00204 -0.00787 -0.00390 -0.00950 0.00248 230 2S 0.00057 -0.00765 -0.00901 -0.01816 0.00459 231 25 H 1S -0.00025 0.00510 0.00359 0.00877 0.00256 232 2S 0.00279 0.01078 0.00409 0.01052 0.00519 233 26 H 1S 0.00440 0.01137 0.00015 -0.00009 -0.00173 234 2S 0.00977 0.01948 -0.00264 -0.00520 -0.00247 226 227 228 229 230 226 2S 0.15048 227 23 H 1S -0.02075 0.21271 228 2S -0.02356 0.16628 0.15167 229 24 H 1S 0.00659 0.00341 0.00209 0.20886 230 2S 0.00777 0.00592 0.00360 0.15415 0.13483 231 25 H 1S 0.00665 0.00369 0.00296 -0.02131 -0.04035 232 2S 0.00995 0.00647 0.00430 -0.04370 -0.04683 233 26 H 1S -0.00321 -0.00217 0.01474 -0.02211 -0.03779 234 2S -0.00406 0.01521 0.03158 -0.03943 -0.03724 231 232 233 234 231 25 H 1S 0.21017 232 2S 0.16605 0.14897 233 26 H 1S -0.02218 -0.04141 0.20964 234 2S -0.03908 -0.04081 0.16003 0.13750 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05052 2 2S -0.01151 0.29818 3 2PX 0.00000 0.00000 0.39743 4 2PY 0.00000 0.00000 -0.00000 0.39334 5 2PZ 0.00000 0.00000 0.00000 -0.00000 0.39671 6 3S -0.03474 0.23813 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10731 -0.00000 -0.00000 8 3PY 0.00000 0.00000 -0.00000 0.11446 -0.00000 9 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.10870 10 4XX -0.00147 0.00018 0.00000 0.00000 0.00000 11 4YY -0.00134 -0.00247 0.00000 0.00000 0.00000 12 4ZZ -0.00142 -0.00064 0.00000 0.00000 0.00000 13 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 14 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00022 -0.00005 -0.00111 -0.00047 17 2S -0.00022 0.00556 0.00102 0.02112 0.00860 18 2PX -0.00005 0.00089 0.00157 0.00293 0.00105 19 2PY -0.00099 0.01793 0.00288 0.03492 0.02115 20 2PZ -0.00042 0.00757 0.00110 0.02203 0.00192 21 3S 0.00010 0.00286 0.00116 0.02121 0.01118 22 3PX -0.00002 0.00036 -0.00033 0.00049 0.00020 23 3PY -0.00024 0.00660 0.00043 0.00314 0.00317 24 3PZ 0.00012 0.00177 0.00020 0.00143 -0.00149 25 4XX 0.00000 -0.00016 0.00003 -0.00035 -0.00011 26 4YY -0.00006 0.00109 0.00021 -0.00098 0.00142 27 4ZZ 0.00000 -0.00015 -0.00000 0.00003 -0.00043 28 4XY -0.00001 0.00011 0.00082 0.00014 0.00013 29 4XZ -0.00000 0.00006 0.00019 0.00015 -0.00000 30 4YZ -0.00008 0.00131 0.00016 0.00156 -0.00001 31 3 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00005 -0.00001 -0.00021 0.00000 33 2PX 0.00000 -0.00001 -0.00002 -0.00006 -0.00000 34 2PY 0.00000 -0.00019 -0.00006 -0.00066 -0.00002 35 2PZ 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 36 3S 0.00005 -0.00105 -0.00024 -0.00441 -0.00000 37 3PX 0.00000 -0.00005 -0.00079 -0.00039 -0.00002 38 3PY 0.00006 -0.00099 -0.00043 -0.00124 -0.00044 39 3PZ -0.00000 0.00001 0.00003 0.00056 -0.00048 40 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 41 4YY -0.00000 0.00001 0.00001 0.00010 0.00000 42 4ZZ 0.00000 -0.00000 -0.00000 -0.00001 0.00000 43 4XY -0.00000 0.00000 0.00000 0.00001 0.00000 44 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 45 4YZ -0.00000 0.00000 0.00000 0.00002 -0.00000 46 4 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 47 2S -0.00000 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 0.00000 0.00009 -0.00000 52 3PX -0.00000 0.00000 -0.00000 0.00001 0.00000 53 3PY -0.00000 0.00004 0.00001 0.00016 0.00000 54 3PZ -0.00000 0.00002 0.00001 0.00010 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 0.00002 -0.00002 0.00001 0.00004 82 3PX -0.00000 0.00004 -0.00001 0.00007 0.00014 83 3PY -0.00000 0.00001 -0.00003 0.00000 0.00000 84 3PZ -0.00000 -0.00001 -0.00006 -0.00002 -0.00004 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 -0.00003 -0.00000 -0.00002 -0.00010 93 2PX 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 94 2PY 0.00000 -0.00004 -0.00000 -0.00001 -0.00008 95 2PZ 0.00000 -0.00011 -0.00001 -0.00016 -0.00033 96 3S 0.00006 -0.00111 0.00001 -0.00088 -0.00337 97 3PX -0.00000 -0.00000 0.00025 0.00005 0.00004 98 3PY 0.00002 -0.00037 0.00002 0.00015 0.00024 99 3PZ 0.00011 -0.00150 -0.00013 -0.00199 -0.00252 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 0.00001 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 0.00001 0.00000 0.00001 0.00003 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 0.00002 -0.00001 0.00002 0.00005 112 3PX -0.00000 0.00001 0.00000 0.00002 0.00005 113 3PY -0.00000 0.00003 -0.00002 0.00003 0.00006 114 3PZ -0.00000 0.00000 -0.00002 -0.00003 -0.00003 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 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 137 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 138 11 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 139 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 140 12 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 141 2S -0.00000 0.00001 0.00001 0.00002 0.00004 142 13 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 143 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 144 14 H 1S 0.00000 -0.00001 -0.00000 -0.00000 -0.00002 145 2S 0.00002 -0.00035 -0.00001 -0.00009 -0.00067 146 15 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 147 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 149 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 150 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 151 3S -0.00000 0.00001 0.00003 0.00001 0.00003 152 3PX -0.00000 0.00001 0.00000 0.00002 0.00003 153 3PY -0.00000 -0.00000 0.00001 0.00000 -0.00001 154 3PZ 0.00000 -0.00001 -0.00002 0.00000 -0.00001 155 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 157 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 158 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 159 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 160 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 161 16 O 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 163 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 164 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 165 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 166 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 167 3PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 168 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 169 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 170 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 171 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 172 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 173 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 174 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 175 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 176 17 C 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 177 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 178 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 179 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 180 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 181 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 182 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 185 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 187 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 188 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 189 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 190 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 191 18 O 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 192 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 194 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 198 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 199 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 200 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 201 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 202 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 203 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 204 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 205 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 206 19 O 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 208 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 209 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 210 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 211 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 212 3PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 213 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 215 4XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 216 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 217 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 218 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 219 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 221 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 222 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 223 21 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 224 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 225 22 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 227 23 H 1S 0.00000 -0.00000 -0.00000 -0.00001 0.00000 228 2S 0.00001 -0.00029 -0.00005 -0.00104 0.00022 229 24 H 1S -0.00155 0.02611 0.04321 0.04567 0.00425 230 2S -0.00061 0.01108 0.02632 0.02801 0.00250 231 25 H 1S -0.00153 0.02596 0.07591 0.01206 0.00497 232 2S -0.00069 0.01185 0.04970 0.00770 0.00326 233 26 H 1S -0.00154 0.02632 0.00007 0.00325 0.09018 234 2S -0.00068 0.01172 0.00004 0.00184 0.05773 6 7 8 9 10 6 3S 0.32810 7 3PX 0.00000 0.09041 8 3PY 0.00000 -0.00000 0.10621 9 3PZ 0.00000 -0.00000 -0.00000 0.09397 10 4XX 0.00013 0.00000 0.00000 0.00000 0.00128 11 4YY -0.00112 0.00000 0.00000 0.00000 -0.00000 12 4ZZ -0.00032 0.00000 0.00000 0.00000 -0.00022 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 -0.00029 -0.00006 -0.00165 -0.00056 0.00000 17 2S 0.00493 0.00070 0.01839 0.00550 -0.00033 18 2PX 0.00147 0.00395 0.00203 0.00072 0.00003 19 2PY 0.02931 0.00198 0.01004 0.01450 -0.00053 20 2PZ 0.01304 0.00082 0.01550 -0.00264 -0.00017 21 3S 0.00024 0.00095 0.02052 0.00909 -0.00089 22 3PX 0.00043 0.00303 0.00050 0.00018 -0.00014 23 3PY 0.00418 0.00042 -0.00057 0.00233 -0.00033 24 3PZ 0.00367 0.00028 0.00180 -0.00312 0.00008 25 4XX -0.00035 -0.00009 -0.00039 -0.00006 0.00001 26 4YY 0.00220 0.00016 -0.00061 0.00109 0.00003 27 4ZZ -0.00069 -0.00002 -0.00013 -0.00084 -0.00001 28 4XY 0.00006 0.00049 0.00002 0.00003 -0.00001 29 4XZ 0.00005 0.00015 0.00004 0.00000 0.00000 30 4YZ 0.00094 0.00004 0.00021 -0.00000 -0.00003 31 3 C 1S 0.00007 0.00001 0.00016 0.00000 -0.00000 32 2S -0.00096 -0.00011 -0.00236 0.00003 0.00000 33 2PX -0.00021 -0.00010 -0.00046 -0.00003 -0.00000 34 2PY -0.00491 -0.00040 -0.00580 -0.00057 0.00001 35 2PZ -0.00026 -0.00001 -0.00015 -0.00027 -0.00000 36 3S -0.00630 -0.00064 -0.01166 -0.00003 0.00010 37 3PX -0.00033 -0.00098 -0.00069 -0.00006 -0.00005 38 3PY -0.00916 -0.00064 -0.00437 -0.00123 0.00007 39 3PZ 0.00003 0.00005 0.00092 -0.00155 -0.00001 40 4XX 0.00004 -0.00000 0.00008 0.00001 -0.00000 41 4YY 0.00023 0.00005 0.00059 0.00002 -0.00000 42 4ZZ -0.00010 -0.00001 -0.00022 -0.00000 0.00000 43 4XY 0.00001 0.00001 0.00004 0.00000 0.00000 44 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 45 4YZ 0.00005 0.00001 0.00008 -0.00006 -0.00000 46 4 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 47 2S 0.00002 0.00000 0.00005 0.00001 -0.00000 48 2PX 0.00000 -0.00000 0.00001 0.00000 0.00000 49 2PY 0.00009 0.00001 0.00019 0.00004 -0.00000 50 2PZ 0.00004 0.00000 0.00006 0.00000 -0.00000 51 3S 0.00044 0.00004 0.00111 0.00002 -0.00000 52 3PX 0.00006 -0.00002 0.00005 0.00001 0.00000 53 3PY 0.00115 0.00009 0.00159 0.00018 -0.00000 54 3PZ 0.00043 0.00004 0.00081 0.00000 -0.00000 55 4XX -0.00000 -0.00000 -0.00000 -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 -0.00000 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 -0.00006 0.00002 -0.00004 0.00001 -0.00000 67 3PX -0.00005 0.00001 -0.00000 0.00002 -0.00000 68 3PY 0.00001 -0.00002 0.00004 0.00007 0.00000 69 3PZ -0.00005 0.00001 -0.00004 -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 0.00003 -0.00000 0.00003 0.00003 -0.00000 78 2PX 0.00005 -0.00001 0.00005 0.00005 0.00000 79 2PY 0.00002 -0.00001 0.00002 -0.00001 0.00000 80 2PZ 0.00006 -0.00001 0.00004 0.00005 0.00000 81 3S 0.00035 -0.00021 0.00017 0.00024 0.00000 82 3PX 0.00075 -0.00005 0.00053 0.00083 0.00000 83 3PY 0.00014 -0.00017 0.00004 -0.00013 0.00000 84 3PZ 0.00036 -0.00034 -0.00009 -0.00012 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 -0.00001 -0.00000 -0.00001 -0.00001 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 0.00005 0.00000 0.00004 0.00007 0.00000 92 2S -0.00069 -0.00002 -0.00049 -0.00122 -0.00000 93 2PX -0.00008 -0.00028 -0.00002 -0.00003 0.00000 94 2PY -0.00112 -0.00004 -0.00010 -0.00036 -0.00000 95 2PZ -0.00324 -0.00016 -0.00239 -0.00260 -0.00000 96 3S -0.00613 0.00002 -0.00325 -0.00795 -0.00002 97 3PX 0.00004 0.00013 0.00006 0.00008 -0.00000 98 3PY -0.00157 -0.00001 -0.00013 0.00114 -0.00004 99 3PZ -0.00910 -0.00035 -0.00534 -0.00373 0.00000 100 4XX 0.00008 0.00000 0.00006 0.00004 0.00000 101 4YY 0.00001 0.00000 -0.00001 0.00006 0.00000 102 4ZZ -0.00013 -0.00001 -0.00007 -0.00003 -0.00000 103 4XY -0.00000 0.00001 -0.00000 0.00000 0.00000 104 4XZ 0.00001 0.00001 0.00001 0.00001 0.00000 105 4YZ 0.00011 0.00001 0.00003 0.00016 -0.00000 106 8 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 107 2S 0.00002 -0.00001 0.00003 0.00002 0.00000 108 2PX 0.00002 0.00000 0.00001 0.00002 0.00000 109 2PY 0.00004 -0.00002 0.00006 -0.00000 0.00000 110 2PZ 0.00003 -0.00003 0.00005 0.00005 0.00000 111 3S 0.00023 -0.00014 0.00025 0.00035 0.00000 112 3PX 0.00022 0.00003 0.00016 0.00028 0.00000 113 3PY 0.00036 -0.00015 0.00031 0.00018 0.00000 114 3PZ 0.00004 -0.00015 0.00004 -0.00001 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 -0.00001 0.00000 -0.00001 -0.00001 -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 0.00001 0.00000 125 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 126 3S -0.00005 0.00001 0.00003 0.00002 0.00000 127 3PX -0.00001 0.00000 -0.00000 -0.00000 0.00000 128 3PY -0.00002 -0.00000 -0.00001 0.00009 -0.00000 129 3PZ -0.00003 0.00000 -0.00002 -0.00001 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 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 137 2S 0.00001 -0.00000 0.00001 0.00000 -0.00000 138 11 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 139 2S -0.00000 0.00000 -0.00001 -0.00001 -0.00000 140 12 H 1S -0.00000 -0.00001 0.00001 -0.00000 0.00000 141 2S 0.00012 0.00008 0.00024 0.00023 0.00000 142 13 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 143 2S -0.00005 0.00001 -0.00005 -0.00008 -0.00000 144 14 H 1S -0.00055 -0.00000 -0.00004 -0.00035 -0.00000 145 2S -0.00340 -0.00002 -0.00032 -0.00114 0.00002 146 15 C 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 147 2S 0.00001 0.00002 -0.00000 0.00000 -0.00000 148 2PX -0.00001 -0.00002 0.00002 -0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 150 2PZ -0.00002 -0.00005 0.00003 -0.00000 0.00000 151 3S 0.00034 0.00046 0.00006 0.00030 0.00000 152 3PX 0.00001 -0.00002 0.00020 0.00023 -0.00000 153 3PY -0.00001 0.00004 0.00004 -0.00005 -0.00000 154 3PZ -0.00029 -0.00018 0.00011 -0.00008 0.00000 155 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 156 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 157 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 158 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 159 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 160 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 161 16 O 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 162 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 163 2PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 164 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 165 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 166 3S -0.00000 -0.00001 0.00000 0.00000 -0.00000 167 3PX 0.00001 -0.00000 -0.00001 0.00000 -0.00000 168 3PY 0.00000 -0.00001 0.00000 -0.00000 0.00000 169 3PZ 0.00001 0.00001 -0.00001 -0.00000 -0.00000 170 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 171 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 172 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 173 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 175 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 176 17 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 177 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 178 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 179 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 180 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 181 3S 0.00000 -0.00000 0.00001 -0.00000 0.00000 182 3PX -0.00000 0.00002 0.00000 -0.00000 -0.00000 183 3PY -0.00001 0.00002 -0.00000 -0.00000 0.00000 184 3PZ -0.00000 -0.00001 -0.00001 -0.00000 0.00000 185 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 187 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 188 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 189 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 191 18 O 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 192 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 194 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 195 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 196 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 198 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 199 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 201 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 202 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 203 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 204 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 205 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 206 19 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 207 2S -0.00001 -0.00001 -0.00000 -0.00000 0.00000 208 2PX -0.00001 -0.00001 -0.00000 -0.00000 0.00000 209 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 210 2PZ -0.00001 -0.00001 -0.00000 -0.00001 0.00000 211 3S -0.00013 -0.00018 -0.00002 -0.00005 0.00000 212 3PX -0.00025 -0.00014 -0.00002 -0.00003 0.00000 213 3PY 0.00001 0.00001 -0.00003 0.00000 -0.00000 214 3PZ -0.00019 -0.00010 -0.00003 -0.00008 -0.00000 215 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 217 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 218 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 219 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 220 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 221 20 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 222 2S -0.00007 -0.00001 -0.00004 -0.00009 0.00000 223 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 224 2S 0.00001 -0.00000 0.00001 0.00000 0.00000 225 22 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 226 2S -0.00003 -0.00000 -0.00010 -0.00001 0.00000 227 23 H 1S -0.00050 -0.00004 -0.00079 -0.00006 0.00000 228 2S -0.00390 -0.00023 -0.00452 0.00050 0.00000 229 24 H 1S 0.03406 0.02940 0.03389 0.00300 0.00091 230 2S 0.00732 0.02637 0.03088 0.00261 0.00078 231 25 H 1S 0.03054 0.05134 0.00868 0.00335 0.00455 232 2S 0.00544 0.05054 0.00847 0.00331 0.00440 233 26 H 1S 0.03308 0.00002 0.00224 0.06275 -0.00077 234 2S 0.00667 0.00000 0.00176 0.06084 -0.00214 11 12 13 14 15 11 4YY 0.00094 12 4ZZ -0.00015 0.00166 13 4XY -0.00000 0.00000 0.00138 14 4XZ -0.00000 -0.00000 -0.00000 0.00033 15 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00075 16 2 C 1S -0.00007 -0.00000 -0.00001 -0.00000 -0.00008 17 2S 0.00131 -0.00005 0.00015 0.00006 0.00131 18 2PX 0.00021 0.00002 0.00071 0.00023 0.00018 19 2PY -0.00046 0.00036 0.00021 0.00018 0.00181 20 2PZ 0.00176 -0.00033 0.00017 0.00000 0.00008 21 3S 0.00164 -0.00032 0.00007 0.00003 0.00065 22 3PX 0.00026 0.00001 0.00080 0.00018 0.00003 23 3PY -0.00025 0.00039 0.00003 0.00003 0.00007 24 3PZ 0.00057 -0.00045 0.00001 0.00000 0.00003 25 4XX -0.00003 -0.00000 -0.00000 0.00000 -0.00003 26 4YY 0.00007 -0.00015 -0.00003 -0.00000 -0.00004 27 4ZZ -0.00012 0.00004 -0.00001 -0.00000 -0.00001 28 4XY -0.00002 -0.00001 -0.00010 0.00001 0.00001 29 4XZ -0.00001 0.00000 -0.00001 0.00000 0.00000 30 4YZ -0.00004 0.00001 0.00000 0.00000 0.00003 31 3 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 32 2S 0.00002 -0.00000 0.00000 -0.00000 -0.00000 33 2PX 0.00002 -0.00000 0.00001 0.00000 0.00000 34 2PY 0.00008 -0.00001 0.00002 -0.00000 -0.00001 35 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 36 3S 0.00017 -0.00010 0.00000 -0.00000 -0.00002 37 3PX 0.00018 -0.00000 0.00021 0.00000 0.00000 38 3PY 0.00027 -0.00010 0.00010 0.00000 -0.00003 39 3PZ 0.00001 -0.00000 0.00000 -0.00000 -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 -0.00001 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 -0.00001 -0.00000 -0.00000 0.00000 82 3PX 0.00000 -0.00001 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 0.00001 -0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY -0.00000 0.00001 0.00000 0.00000 -0.00000 95 2PZ -0.00001 0.00005 -0.00000 0.00000 0.00002 96 3S -0.00012 0.00032 -0.00000 0.00000 -0.00003 97 3PX -0.00000 -0.00000 -0.00000 0.00002 0.00000 98 3PY -0.00001 0.00008 0.00000 0.00000 0.00001 99 3PZ -0.00026 0.00047 -0.00001 0.00000 0.00004 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 -0.00001 -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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 138 11 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 139 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 140 12 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 141 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 142 13 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 143 2S -0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 145 2S 0.00001 -0.00003 0.00000 -0.00000 -0.00001 146 15 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 147 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 148 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 149 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 151 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 153 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 155 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 157 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 158 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 161 16 O 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 162 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 163 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 164 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 165 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 166 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 167 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 168 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 170 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 171 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 172 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 173 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 174 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 175 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 177 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 178 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 179 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 181 3S -0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 183 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 184 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 185 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 187 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 188 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 189 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 190 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 191 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 193 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 195 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 196 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 3PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 198 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 199 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 200 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 204 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 206 19 O 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 208 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 209 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 210 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 211 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 212 3PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 213 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 215 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 216 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 217 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 218 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 219 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 220 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 221 20 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 222 2S -0.00000 0.00000 0.00000 0.00000 0.00000 223 21 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 224 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 225 22 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 226 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 227 23 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 228 2S -0.00008 0.00004 -0.00000 0.00000 0.00001 229 24 H 1S 0.00099 -0.00080 0.00357 0.00031 0.00041 230 2S 0.00165 -0.00190 0.00080 0.00006 0.00007 231 25 H 1S -0.00074 -0.00079 0.00163 0.00070 0.00014 232 2S -0.00138 -0.00200 0.00044 0.00014 0.00003 233 26 H 1S -0.00087 0.00644 -0.00000 0.00001 0.00050 234 2S -0.00221 0.00576 -0.00000 0.00000 0.00009 16 17 18 19 20 16 2 C 1S 2.05423 17 2S -0.01402 0.33068 18 2PX 0.00000 0.00000 0.34097 19 2PY 0.00000 0.00000 0.00000 0.42501 20 2PZ 0.00000 0.00000 0.00000 -0.00000 0.40523 21 3S -0.03107 0.21027 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.12111 -0.00000 0.00000 23 3PY 0.00000 0.00000 -0.00000 0.04342 -0.00000 24 3PZ 0.00000 0.00000 0.00000 -0.00000 0.05308 25 4XX -0.00088 -0.01053 0.00000 0.00000 0.00000 26 4YY -0.00127 -0.00271 0.00000 0.00000 0.00000 27 4ZZ -0.00125 -0.00347 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 -0.00078 -0.00013 -0.00303 -0.00060 32 2S -0.00077 0.01342 0.00146 0.03820 0.00810 33 2PX -0.00014 0.00204 0.02948 0.00947 0.00078 34 2PY -0.00305 0.04005 0.00935 0.06001 0.02048 35 2PZ -0.00053 0.00643 0.00061 0.01758 -0.00112 36 3S -0.00024 0.01170 0.00178 0.03728 0.00644 37 3PX -0.00009 0.00132 0.05000 0.00474 0.00026 38 3PY -0.00162 0.02125 0.00477 0.00684 0.00861 39 3PZ -0.00015 0.00318 0.00036 0.00767 0.00409 40 4XX 0.00001 -0.00047 0.00006 -0.00088 -0.00010 41 4YY -0.00020 0.00225 0.00042 -0.00064 0.00171 42 4ZZ 0.00002 -0.00071 -0.00006 -0.00098 -0.00001 43 4XY -0.00003 0.00023 0.00172 0.00038 0.00013 44 4XZ -0.00001 0.00005 0.00029 0.00019 0.00001 45 4YZ -0.00013 0.00116 0.00020 0.00212 0.00032 46 4 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00008 -0.00001 -0.00034 -0.00000 48 2PX 0.00000 -0.00002 -0.00003 -0.00009 0.00000 49 2PY 0.00000 -0.00036 -0.00009 -0.00091 0.00003 50 2PZ 0.00000 -0.00004 -0.00001 -0.00012 0.00000 51 3S 0.00004 -0.00077 -0.00004 -0.00352 -0.00033 52 3PX 0.00001 -0.00015 -0.00058 -0.00041 -0.00000 53 3PY 0.00018 -0.00300 -0.00037 -0.00391 -0.00010 54 3PZ 0.00002 -0.00034 -0.00015 -0.00166 0.00041 55 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 56 4YY -0.00000 0.00004 0.00002 0.00017 -0.00001 57 4ZZ 0.00000 -0.00000 -0.00000 -0.00002 0.00000 58 4XY -0.00000 0.00000 0.00001 0.00003 -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 -0.00003 -0.00000 -0.00000 63 2PX 0.00000 -0.00001 -0.00004 -0.00001 -0.00001 64 2PY 0.00000 -0.00001 0.00000 -0.00000 -0.00002 65 2PZ 0.00000 -0.00000 -0.00004 -0.00000 0.00000 66 3S 0.00001 -0.00024 -0.00129 0.00014 -0.00032 67 3PX 0.00001 -0.00016 -0.00052 -0.00046 -0.00002 68 3PY 0.00001 -0.00035 0.00064 -0.00014 -0.00043 69 3PZ -0.00000 -0.00001 -0.00075 0.00019 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 -0.00006 -0.00010 -0.00000 -0.00019 78 2PX 0.00000 -0.00008 0.00000 -0.00002 -0.00026 79 2PY 0.00000 -0.00002 -0.00001 0.00000 -0.00003 80 2PZ 0.00000 -0.00015 -0.00004 -0.00001 -0.00031 81 3S 0.00004 -0.00069 -0.00207 0.00017 -0.00217 82 3PX 0.00012 -0.00158 -0.00035 -0.00045 -0.00360 83 3PY 0.00001 -0.00023 -0.00028 -0.00029 -0.00046 84 3PZ 0.00010 -0.00094 0.00132 0.00031 -0.00049 85 4XX 0.00000 -0.00000 -0.00001 -0.00000 -0.00002 86 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 87 4ZZ -0.00000 0.00002 0.00002 -0.00000 0.00007 88 4XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 89 4XZ -0.00000 0.00001 0.00002 -0.00000 0.00008 90 4YZ -0.00000 0.00000 0.00001 0.00000 0.00001 91 7 C 1S 0.00000 -0.00019 0.00000 -0.00000 -0.00134 92 2S -0.00017 0.00474 -0.00000 0.00006 0.02497 93 2PX -0.00000 0.00000 0.00311 -0.00000 0.00000 94 2PY -0.00000 -0.00002 -0.00000 0.00073 0.00001 95 2PZ -0.00146 0.02837 -0.00000 0.00027 0.08671 96 3S -0.00026 0.00325 0.00000 0.00001 0.04140 97 3PX 0.00000 -0.00000 0.00396 0.00000 -0.00001 98 3PY -0.00002 0.00012 0.00000 0.00683 0.00008 99 3PZ -0.00169 0.01830 -0.00000 0.00024 0.03506 100 4XX 0.00000 -0.00033 -0.00000 0.00000 -0.00085 101 4YY 0.00000 -0.00032 0.00000 0.00000 -0.00088 102 4ZZ -0.00015 0.00323 0.00000 -0.00000 0.00364 103 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 104 4XZ 0.00000 -0.00000 0.00136 -0.00000 -0.00000 105 4YZ -0.00000 0.00001 -0.00000 0.00136 0.00002 106 8 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00005 -0.00007 -0.00003 -0.00017 108 2PX 0.00000 -0.00003 0.00001 -0.00002 -0.00014 109 2PY 0.00000 -0.00006 0.00000 -0.00001 -0.00013 110 2PZ 0.00000 -0.00016 -0.00001 -0.00002 -0.00032 111 3S 0.00007 -0.00100 -0.00124 -0.00055 -0.00217 112 3PX 0.00003 -0.00045 0.00001 -0.00050 -0.00140 113 3PY 0.00005 -0.00085 -0.00048 0.00003 -0.00146 114 3PZ 0.00015 -0.00143 0.00117 0.00078 -0.00129 115 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 116 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 117 4ZZ -0.00000 0.00002 0.00001 0.00000 0.00008 118 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 119 4XZ -0.00000 0.00001 0.00000 0.00000 0.00004 120 4YZ -0.00000 0.00001 0.00002 0.00000 0.00004 121 9 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 -0.00000 -0.00001 -0.00002 -0.00000 123 2PX 0.00000 -0.00000 -0.00000 -0.00001 0.00000 124 2PY 0.00000 -0.00001 -0.00001 -0.00002 -0.00003 125 2PZ 0.00000 -0.00000 -0.00002 -0.00003 0.00000 126 3S 0.00001 -0.00029 -0.00050 -0.00080 -0.00033 127 3PX 0.00000 -0.00002 0.00010 -0.00030 0.00005 128 3PY 0.00002 -0.00046 0.00024 -0.00023 -0.00061 129 3PZ -0.00000 -0.00002 -0.00023 -0.00030 0.00002 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 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 137 2S 0.00000 -0.00000 0.00002 0.00002 -0.00000 138 11 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 139 2S -0.00000 0.00002 0.00009 -0.00000 0.00003 140 12 H 1S 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 141 2S 0.00001 -0.00029 -0.00000 -0.00009 -0.00046 142 13 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 143 2S -0.00000 0.00012 0.00007 0.00003 0.00041 144 14 H 1S 0.00000 -0.00011 -0.00001 -0.00014 -0.00038 145 2S 0.00012 -0.00191 -0.00015 -0.00286 -0.00490 146 15 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 147 2S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 148 2PX 0.00000 -0.00001 -0.00002 -0.00000 -0.00002 149 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 150 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 151 3S 0.00001 -0.00022 0.00055 0.00011 -0.00020 152 3PX 0.00002 -0.00033 -0.00025 0.00009 -0.00029 153 3PY 0.00000 -0.00002 -0.00003 -0.00003 -0.00007 154 3PZ 0.00000 -0.00006 0.00042 -0.00000 -0.00005 155 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 156 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 157 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 158 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 159 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 160 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 161 16 O 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 162 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 163 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 164 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 166 3S -0.00000 0.00000 -0.00002 0.00000 0.00000 167 3PX -0.00000 0.00000 -0.00004 0.00000 0.00001 168 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 -0.00000 -0.00001 0.00000 -0.00000 170 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 171 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 173 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 174 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 177 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 178 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 179 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 180 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 181 3S 0.00000 -0.00000 0.00025 -0.00008 0.00001 182 3PX -0.00000 0.00001 -0.00005 -0.00006 0.00001 183 3PY 0.00000 0.00001 0.00006 0.00000 -0.00001 184 3PZ -0.00000 -0.00000 0.00003 0.00000 -0.00001 185 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 187 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 189 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 190 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 191 18 O 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 192 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 193 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 194 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 195 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 196 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 197 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 198 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 199 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 200 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 201 4YY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 202 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 203 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 204 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 205 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 206 19 O 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 208 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 209 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 210 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 211 3S -0.00000 0.00000 -0.00001 -0.00000 -0.00000 212 3PX -0.00000 0.00001 -0.00000 -0.00001 0.00001 213 3PY -0.00000 0.00000 -0.00001 -0.00000 -0.00000 214 3PZ 0.00000 -0.00000 -0.00003 -0.00001 0.00000 215 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 218 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 219 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 221 20 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 222 2S -0.00000 0.00011 0.00011 0.00000 0.00040 223 21 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 224 2S 0.00000 -0.00001 0.00004 -0.00001 -0.00000 225 22 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 226 2S -0.00000 0.00011 0.00002 0.00044 -0.00000 227 23 H 1S 0.00000 -0.00019 -0.00001 -0.00032 -0.00040 228 2S 0.00021 -0.00303 -0.00009 -0.00303 -0.00696 229 24 H 1S 0.00000 -0.00014 -0.00000 -0.00046 -0.00003 230 2S 0.00014 -0.00230 -0.00080 -0.00670 -0.00032 231 25 H 1S 0.00000 -0.00014 -0.00013 -0.00034 -0.00003 232 2S 0.00016 -0.00268 -0.00371 -0.00388 -0.00024 233 26 H 1S 0.00000 -0.00013 -0.00001 -0.00010 -0.00036 234 2S 0.00014 -0.00234 -0.00007 -0.00102 -0.00647 21 22 23 24 25 21 3S 0.24749 22 3PX 0.00000 0.14013 23 3PY 0.00000 -0.00000 0.03290 24 3PZ 0.00000 0.00000 -0.00000 0.03228 25 4XX -0.00657 0.00000 0.00000 0.00000 0.00094 26 4YY -0.00187 0.00000 0.00000 0.00000 0.00004 27 4ZZ -0.00233 0.00000 0.00000 0.00000 0.00008 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 0.00018 -0.00000 -0.00024 -0.00025 0.00001 32 2S 0.00856 0.00039 0.01514 0.00279 -0.00043 33 2PX 0.00105 0.04639 0.00332 0.00023 0.00007 34 2PY 0.02451 0.00352 0.00080 0.00562 -0.00057 35 2PZ 0.00624 0.00016 0.00602 0.00213 -0.00020 36 3S -0.01001 0.00062 0.00849 0.00321 -0.00063 37 3PX 0.00039 0.08415 0.00334 0.00011 -0.00024 38 3PY 0.00936 0.00364 0.00070 0.00359 -0.00011 39 3PZ 0.00263 0.00010 0.00186 0.00460 -0.00014 40 4XX -0.00062 -0.00016 -0.00022 -0.00002 0.00001 41 4YY 0.00284 0.00035 0.00011 0.00032 -0.00003 42 4ZZ -0.00191 -0.00008 -0.00119 -0.00025 0.00001 43 4XY 0.00008 0.00113 0.00003 0.00000 0.00001 44 4XZ 0.00001 0.00019 0.00002 0.00000 0.00000 45 4YZ 0.00035 0.00002 0.00001 0.00010 -0.00003 46 4 C 1S -0.00002 -0.00000 -0.00003 -0.00003 -0.00000 47 2S -0.00125 -0.00005 -0.00168 -0.00003 0.00000 48 2PX -0.00028 -0.00087 -0.00034 0.00001 -0.00000 49 2PY -0.00501 -0.00044 -0.00212 0.00087 0.00000 50 2PZ 0.00064 0.00006 0.00222 -0.00025 -0.00000 51 3S -0.00122 0.00034 -0.00128 -0.00020 0.00001 52 3PX -0.00050 -0.00253 -0.00051 0.00004 0.00000 53 3PY -0.00904 -0.00031 -0.00007 0.00100 0.00001 54 3PZ 0.00099 -0.00008 0.00186 -0.00031 -0.00000 55 4XX -0.00004 -0.00003 -0.00025 0.00002 0.00000 56 4YY 0.00045 0.00011 0.00065 -0.00003 -0.00000 57 4ZZ -0.00009 -0.00000 -0.00006 -0.00000 0.00000 58 4XY 0.00003 0.00010 0.00010 -0.00000 0.00000 59 4XZ -0.00000 0.00005 0.00002 -0.00000 0.00000 60 4YZ -0.00002 0.00002 0.00001 -0.00004 -0.00000 61 5 C 1S 0.00001 0.00005 0.00000 0.00002 -0.00000 62 2S -0.00036 -0.00117 -0.00030 -0.00023 0.00000 63 2PX -0.00065 -0.00067 -0.00052 -0.00027 0.00000 64 2PY -0.00040 0.00005 0.00005 -0.00047 0.00000 65 2PZ -0.00028 -0.00111 -0.00074 0.00012 0.00000 66 3S -0.00344 -0.00672 -0.00141 -0.00116 -0.00000 67 3PX -0.00244 -0.00119 -0.00207 -0.00033 0.00000 68 3PY -0.00238 0.00182 -0.00033 -0.00119 0.00004 69 3PZ -0.00050 -0.00280 -0.00115 0.00009 0.00000 70 4XX -0.00003 -0.00003 -0.00007 0.00002 -0.00000 71 4YY 0.00002 -0.00001 0.00006 -0.00005 0.00000 72 4ZZ 0.00003 0.00005 0.00001 0.00002 -0.00000 73 4XY 0.00000 0.00002 0.00003 0.00000 0.00000 74 4XZ -0.00001 0.00002 -0.00001 0.00000 0.00000 75 4YZ 0.00000 0.00006 0.00001 0.00000 0.00000 76 6 C 1S 0.00003 0.00009 0.00001 0.00008 -0.00000 77 2S -0.00046 -0.00150 0.00025 -0.00120 0.00000 78 2PX -0.00025 -0.00011 0.00038 -0.00066 -0.00000 79 2PY -0.00004 -0.00012 -0.00001 0.00021 0.00000 80 2PZ -0.00132 -0.00025 0.00082 -0.00248 0.00001 81 3S 0.00211 -0.00653 0.00146 -0.00267 0.00003 82 3PX -0.00146 -0.00020 0.00064 -0.00267 0.00002 83 3PY -0.00081 -0.00079 0.00018 -0.00008 0.00000 84 3PZ -0.00105 0.00261 0.00135 -0.00213 0.00009 85 4XX -0.00004 -0.00006 0.00004 -0.00012 -0.00000 86 4YY -0.00008 -0.00009 0.00000 -0.00015 0.00000 87 4ZZ 0.00021 0.00016 -0.00009 0.00040 -0.00000 88 4XY -0.00000 0.00001 -0.00001 -0.00001 -0.00000 89 4XZ 0.00007 0.00004 -0.00001 0.00012 -0.00000 90 4YZ 0.00002 0.00004 -0.00000 0.00002 -0.00000 91 7 C 1S 0.00066 0.00000 -0.00001 0.00077 0.00000 92 2S 0.00320 0.00000 -0.00009 0.00815 -0.00017 93 2PX -0.00001 0.00292 0.00000 -0.00000 0.00000 94 2PY 0.00031 0.00000 0.00680 0.00013 0.00000 95 2PZ 0.03040 -0.00000 0.00035 0.01965 -0.00059 96 3S -0.01270 0.00000 0.00004 0.01235 -0.00049 97 3PX -0.00001 0.00261 0.00000 -0.00000 0.00000 98 3PY 0.00027 0.00000 0.00575 0.00011 -0.00000 99 3PZ 0.01700 -0.00000 0.00032 0.00671 -0.00067 100 4XX -0.00068 0.00000 -0.00002 -0.00089 0.00001 101 4YY -0.00161 0.00000 -0.00000 -0.00157 0.00000 102 4ZZ 0.00387 -0.00000 0.00003 0.00197 -0.00006 103 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 104 4XZ 0.00000 0.00113 -0.00000 -0.00000 0.00000 105 4YZ -0.00001 -0.00000 0.00021 -0.00000 -0.00000 106 8 C 1S 0.00006 0.00006 0.00004 0.00014 -0.00000 107 2S -0.00049 -0.00119 0.00003 -0.00144 0.00000 108 2PX -0.00005 -0.00001 0.00049 -0.00032 -0.00000 109 2PY -0.00027 -0.00032 -0.00000 0.00014 0.00000 110 2PZ -0.00197 -0.00056 0.00111 -0.00340 0.00001 111 3S 0.00061 -0.00504 0.00044 -0.00403 0.00008 112 3PX 0.00040 0.00010 0.00073 -0.00066 0.00000 113 3PY -0.00189 -0.00145 0.00038 -0.00039 0.00005 114 3PZ -0.00380 0.00201 0.00243 -0.00377 0.00004 115 4XX -0.00007 -0.00007 0.00001 -0.00015 0.00000 116 4YY -0.00008 -0.00003 0.00001 -0.00017 0.00000 117 4ZZ 0.00026 0.00016 -0.00012 0.00047 -0.00000 118 4XY 0.00001 0.00000 -0.00000 0.00001 -0.00000 119 4XZ 0.00002 0.00000 0.00000 0.00006 -0.00000 120 4YZ 0.00005 0.00006 -0.00000 0.00007 -0.00000 121 9 C 1S 0.00001 0.00002 0.00003 0.00001 -0.00000 122 2S -0.00036 -0.00041 -0.00085 -0.00025 0.00000 123 2PX -0.00029 0.00013 -0.00056 -0.00016 0.00000 124 2PY -0.00079 -0.00019 -0.00034 -0.00085 0.00000 125 2PZ -0.00016 -0.00039 -0.00127 0.00015 0.00000 126 3S -0.00324 -0.00233 -0.00490 -0.00115 0.00003 127 3PX -0.00091 0.00070 -0.00143 -0.00030 0.00000 128 3PY -0.00347 0.00080 -0.00062 -0.00198 -0.00001 129 3PZ -0.00005 -0.00079 -0.00230 0.00010 0.00001 130 4XX -0.00001 -0.00001 -0.00009 0.00001 0.00000 131 4YY 0.00001 -0.00001 0.00010 -0.00005 0.00000 132 4ZZ 0.00003 0.00003 0.00006 0.00003 -0.00000 133 4XY -0.00001 -0.00000 -0.00001 0.00002 -0.00000 134 4XZ -0.00001 0.00000 -0.00001 -0.00000 -0.00000 135 4YZ -0.00001 0.00004 0.00004 0.00000 -0.00000 136 10 H 1S 0.00000 0.00001 0.00003 -0.00000 -0.00000 137 2S 0.00012 0.00020 0.00073 -0.00001 -0.00000 138 11 H 1S 0.00006 -0.00004 -0.00006 0.00006 0.00000 139 2S 0.00064 0.00056 -0.00024 0.00041 -0.00000 140 12 H 1S -0.00024 -0.00037 -0.00006 -0.00039 0.00000 141 2S -0.00140 0.00020 -0.00011 -0.00141 0.00004 142 13 H 1S 0.00006 0.00002 -0.00004 0.00024 -0.00000 143 2S 0.00100 0.00067 -0.00030 0.00259 -0.00001 144 14 H 1S -0.00397 0.00003 0.00073 -0.00393 0.00000 145 2S -0.01429 -0.00003 0.00080 -0.01031 0.00004 146 15 C 1S 0.00001 0.00002 -0.00000 0.00001 -0.00000 147 2S -0.00013 -0.00055 -0.00001 -0.00012 0.00000 148 2PX -0.00021 -0.00032 -0.00004 -0.00027 0.00000 149 2PY 0.00002 -0.00004 0.00002 0.00002 0.00000 150 2PZ 0.00010 0.00029 -0.00001 0.00010 0.00000 151 3S -0.00065 0.00327 0.00017 -0.00024 0.00003 152 3PX -0.00058 -0.00021 -0.00003 -0.00035 0.00002 153 3PY -0.00013 -0.00006 -0.00012 -0.00012 0.00000 154 3PZ 0.00020 0.00181 0.00005 0.00009 0.00002 155 4XX -0.00000 -0.00003 -0.00001 -0.00000 -0.00000 156 4YY -0.00001 -0.00002 0.00000 -0.00001 -0.00000 157 4ZZ 0.00002 0.00003 0.00000 0.00002 -0.00000 158 4XY -0.00000 -0.00000 0.00001 -0.00000 0.00000 159 4XZ -0.00000 0.00004 -0.00000 -0.00001 0.00000 160 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 161 16 O 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 162 2S 0.00000 0.00001 -0.00000 0.00000 -0.00000 163 2PX 0.00002 -0.00002 0.00000 0.00002 -0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 166 3S 0.00003 -0.00069 0.00003 -0.00000 -0.00000 167 3PX 0.00026 -0.00053 0.00003 0.00016 -0.00000 168 3PY 0.00000 0.00003 0.00001 0.00001 0.00000 169 3PZ 0.00005 0.00004 0.00001 -0.00002 -0.00000 170 4XX 0.00000 0.00001 -0.00000 0.00000 0.00000 171 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 172 4ZZ -0.00000 0.00001 -0.00000 -0.00000 0.00000 173 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 175 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 176 17 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 177 2S 0.00002 -0.00009 -0.00001 0.00002 -0.00000 178 2PX 0.00002 -0.00019 -0.00009 0.00003 0.00000 179 2PY 0.00000 -0.00003 -0.00001 -0.00000 -0.00000 180 2PZ -0.00000 -0.00002 0.00001 0.00001 0.00000 181 3S 0.00006 0.00218 -0.00059 0.00011 0.00000 182 3PX 0.00021 -0.00026 -0.00024 0.00009 -0.00000 183 3PY 0.00003 0.00022 -0.00002 -0.00005 0.00000 184 3PZ 0.00001 0.00012 0.00000 0.00001 0.00000 185 4XX -0.00001 -0.00003 -0.00001 -0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 187 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 188 4XY -0.00000 0.00001 -0.00000 0.00000 0.00000 189 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 190 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 191 18 O 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 192 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 194 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 195 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 -0.00007 0.00001 0.00000 -0.00000 197 3PX 0.00001 -0.00001 0.00006 0.00000 -0.00000 198 3PY -0.00001 -0.00008 0.00000 0.00000 -0.00000 199 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 200 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 201 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 202 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 203 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 204 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 205 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 206 19 O 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 207 2S -0.00000 0.00000 0.00002 0.00000 -0.00000 208 2PX -0.00002 -0.00002 0.00001 -0.00002 0.00000 209 2PY -0.00001 -0.00001 -0.00000 -0.00002 0.00000 210 2PZ 0.00000 -0.00002 0.00001 0.00002 0.00000 211 3S -0.00003 -0.00028 0.00011 -0.00002 -0.00000 212 3PX -0.00015 -0.00013 0.00012 -0.00011 -0.00000 213 3PY -0.00006 -0.00017 -0.00003 -0.00014 0.00000 214 3PZ 0.00003 -0.00028 0.00006 0.00009 0.00000 215 4XX -0.00000 0.00001 0.00000 0.00000 0.00000 216 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 217 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 218 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 221 20 H 1S 0.00005 0.00001 -0.00003 0.00019 -0.00000 222 2S 0.00078 0.00072 -0.00029 0.00218 -0.00000 223 21 H 1S 0.00001 0.00002 0.00002 0.00000 -0.00000 224 2S 0.00019 0.00063 0.00031 0.00005 0.00000 225 22 H 1S 0.00015 0.00001 0.00030 -0.00000 -0.00000 226 2S 0.00177 0.00015 0.00276 -0.00000 -0.00000 227 23 H 1S -0.00320 -0.00009 -0.00251 -0.00008 0.00000 228 2S -0.01094 -0.00024 -0.00780 -0.00411 0.00007 229 24 H 1S -0.00167 -0.00072 -0.00198 0.00030 -0.00000 230 2S -0.00534 -0.00360 -0.00675 0.00059 -0.00013 231 25 H 1S -0.00188 -0.00220 -0.00037 0.00015 0.00002 232 2S -0.00658 -0.01079 -0.00022 0.00060 0.00037 233 26 H 1S -0.00273 -0.00001 0.00019 -0.00233 -0.00000 234 2S -0.00892 -0.00001 0.00093 -0.00737 0.00000 26 27 28 29 30 26 4YY 0.00135 27 4ZZ -0.00026 0.00161 28 4XY -0.00000 -0.00000 0.00092 29 4XZ -0.00000 -0.00000 -0.00000 0.00049 30 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00115 31 3 C 1S -0.00019 0.00002 -0.00003 -0.00001 -0.00013 32 2S 0.00234 -0.00081 0.00022 0.00005 0.00109 33 2PX 0.00060 -0.00004 0.00197 0.00028 0.00017 34 2PY -0.00081 -0.00135 0.00040 0.00017 0.00168 35 2PZ 0.00190 -0.00001 0.00018 0.00002 0.00036 36 3S 0.00245 -0.00161 0.00008 0.00003 0.00061 37 3PX 0.00047 -0.00001 0.00145 0.00022 0.00003 38 3PY -0.00065 -0.00089 0.00004 0.00003 0.00010 39 3PZ 0.00048 -0.00034 0.00002 0.00000 0.00007 40 4XX -0.00003 0.00001 0.00001 0.00000 -0.00003 41 4YY 0.00001 -0.00011 0.00003 -0.00000 -0.00009 42 4ZZ -0.00009 0.00004 -0.00001 -0.00000 -0.00001 43 4XY 0.00004 -0.00001 0.00007 0.00002 -0.00000 44 4XZ 0.00000 -0.00000 0.00003 -0.00000 -0.00000 45 4YZ -0.00013 -0.00001 0.00000 -0.00000 -0.00004 46 4 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 47 2S 0.00003 -0.00000 0.00000 0.00000 0.00001 48 2PX 0.00001 -0.00000 0.00000 -0.00000 0.00000 49 2PY 0.00016 -0.00001 0.00002 0.00000 0.00003 50 2PZ 0.00003 -0.00000 0.00000 -0.00000 -0.00001 51 3S 0.00023 -0.00009 0.00002 0.00000 0.00007 52 3PX 0.00004 -0.00001 0.00000 -0.00001 0.00000 53 3PY 0.00061 -0.00015 0.00004 0.00000 0.00013 54 3PZ 0.00010 -0.00001 0.00000 -0.00000 -0.00007 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 0.00003 -0.00000 -0.00004 0.00001 -0.00003 67 3PX -0.00003 0.00003 -0.00001 -0.00000 -0.00003 68 3PY 0.00004 -0.00005 0.00003 -0.00001 -0.00001 69 3PZ -0.00002 0.00001 -0.00002 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 0.00002 0.00000 78 2PX 0.00000 0.00002 -0.00000 0.00005 0.00001 79 2PY -0.00000 0.00000 0.00000 0.00001 -0.00000 80 2PZ 0.00000 0.00001 -0.00000 0.00005 0.00000 81 3S 0.00001 -0.00001 -0.00002 0.00014 0.00001 82 3PX 0.00009 -0.00002 -0.00000 0.00010 0.00004 83 3PY 0.00001 -0.00001 0.00001 0.00003 0.00000 84 3PZ -0.00008 0.00011 0.00001 0.00015 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 -0.00014 -0.00000 0.00000 -0.00000 92 2S -0.00033 0.00301 0.00000 -0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00126 -0.00000 94 2PY 0.00000 0.00001 -0.00000 -0.00000 0.00133 95 2PZ -0.00109 0.00309 0.00000 0.00000 0.00001 96 3S -0.00159 0.00469 0.00000 -0.00000 0.00001 97 3PX -0.00000 0.00000 0.00000 0.00059 -0.00000 98 3PY -0.00000 -0.00000 0.00000 -0.00000 0.00055 99 3PZ -0.00221 0.00220 0.00000 0.00000 0.00000 100 4XX 0.00000 -0.00003 -0.00000 -0.00000 -0.00000 101 4YY 0.00002 -0.00002 0.00000 -0.00000 -0.00000 102 4ZZ -0.00004 -0.00001 -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 -0.00006 -0.00000 105 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00013 106 8 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 107 2S -0.00000 0.00000 -0.00000 0.00001 0.00001 108 2PX 0.00000 0.00002 -0.00000 0.00001 0.00002 109 2PY -0.00000 0.00001 -0.00000 0.00002 0.00001 110 2PZ -0.00000 0.00001 0.00000 0.00003 0.00002 111 3S -0.00004 -0.00004 -0.00001 0.00008 0.00007 112 3PX 0.00003 0.00004 -0.00000 0.00001 0.00007 113 3PY 0.00001 -0.00002 0.00000 0.00007 -0.00000 114 3PZ -0.00002 0.00003 0.00004 0.00009 0.00005 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 -0.00002 -0.00000 -0.00002 0.00001 -0.00003 127 3PX -0.00003 0.00001 -0.00000 -0.00000 -0.00001 128 3PY 0.00008 -0.00005 0.00002 -0.00000 -0.00004 129 3PZ -0.00004 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 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 137 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 138 11 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 139 2S -0.00001 0.00001 0.00000 0.00000 0.00000 140 12 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 141 2S 0.00001 -0.00004 0.00000 -0.00004 0.00000 142 13 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 143 2S -0.00000 0.00001 0.00000 -0.00001 -0.00001 144 14 H 1S 0.00001 0.00002 0.00000 0.00000 0.00006 145 2S 0.00025 -0.00022 0.00000 0.00002 0.00031 146 15 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 147 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 148 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 149 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 150 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 -0.00001 -0.00000 -0.00002 -0.00000 152 3PX 0.00000 -0.00003 0.00000 -0.00001 -0.00000 153 3PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 154 3PZ -0.00001 -0.00001 -0.00000 -0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 156 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 158 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 159 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 160 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 161 16 O 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 162 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 163 2PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 166 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 167 3PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 168 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 170 4XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 171 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 172 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 173 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 174 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 175 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 176 17 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 177 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 178 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 179 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 180 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 181 3S -0.00001 0.00000 0.00000 -0.00000 0.00000 182 3PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 183 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 184 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 185 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 186 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 187 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 188 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 189 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 190 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 191 18 O 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 192 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 193 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 194 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 195 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 196 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 197 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 198 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 199 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 200 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 201 4YY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 202 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 203 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 204 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 205 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 206 19 O 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 207 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 208 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 209 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 210 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 211 3S -0.00000 -0.00000 0.00000 -0.00000 0.00000 212 3PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 215 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 216 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 217 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 218 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 219 4XZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 220 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 221 20 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 222 2S -0.00001 0.00001 0.00000 -0.00001 -0.00000 223 21 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 224 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 225 22 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 226 2S -0.00001 0.00000 -0.00000 -0.00000 -0.00000 227 23 H 1S -0.00002 0.00006 -0.00000 0.00000 0.00007 228 2S -0.00055 0.00087 -0.00002 0.00001 0.00024 229 24 H 1S 0.00010 -0.00001 0.00003 0.00000 0.00000 230 2S 0.00071 -0.00017 0.00014 0.00001 -0.00006 231 25 H 1S 0.00002 -0.00001 0.00008 0.00001 -0.00000 232 2S 0.00003 -0.00019 0.00038 0.00000 -0.00006 233 26 H 1S -0.00002 0.00009 -0.00000 0.00000 0.00004 234 2S -0.00045 0.00098 -0.00001 0.00000 0.00006 31 32 33 34 35 31 3 C 1S 2.05448 32 2S -0.01343 0.32006 33 2PX 0.00000 0.00000 0.35313 34 2PY 0.00000 0.00000 0.00000 0.41208 35 2PZ 0.00000 0.00000 0.00000 -0.00000 0.40580 36 3S -0.03384 0.22618 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.14269 -0.00000 -0.00000 38 3PY 0.00000 0.00000 -0.00000 0.09183 0.00000 39 3PZ 0.00000 0.00000 0.00000 -0.00000 0.07385 40 4XX -0.00086 -0.01081 0.00000 0.00000 0.00000 41 4YY -0.00126 -0.00345 0.00000 0.00000 0.00000 42 4ZZ -0.00159 0.00217 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 -0.00020 -0.00004 -0.00071 -0.00059 47 2S -0.00018 0.00492 0.00065 0.01395 0.01095 48 2PX -0.00004 0.00075 0.00217 0.00186 0.00121 49 2PY -0.00076 0.01466 0.00189 0.01775 0.02394 50 2PZ -0.00068 0.01404 0.00151 0.02852 0.01121 51 3S -0.00024 0.00511 0.00112 0.01687 0.01750 52 3PX -0.00005 0.00056 0.00199 0.00089 0.00057 53 3PY -0.00128 0.01374 0.00119 0.00176 0.01378 54 3PZ -0.00065 0.00836 0.00057 0.01666 -0.00026 55 4XX 0.00000 -0.00034 0.00002 -0.00038 -0.00042 56 4YY -0.00003 0.00067 0.00009 -0.00062 0.00163 57 4ZZ -0.00002 0.00041 0.00005 0.00104 -0.00064 58 4XY -0.00001 0.00010 0.00056 0.00006 0.00019 59 4XZ -0.00000 0.00009 0.00056 0.00018 0.00004 60 4YZ -0.00010 0.00170 0.00020 0.00124 0.00086 61 5 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00006 -0.00012 -0.00002 -0.00015 63 2PX 0.00000 -0.00008 -0.00001 -0.00004 -0.00021 64 2PY 0.00000 -0.00000 -0.00001 0.00000 0.00000 65 2PZ 0.00000 -0.00018 -0.00010 -0.00007 -0.00024 66 3S 0.00004 -0.00059 -0.00271 -0.00016 -0.00146 67 3PX 0.00010 -0.00135 -0.00021 -0.00030 -0.00316 68 3PY -0.00000 0.00027 0.00061 -0.00014 0.00092 69 3PZ 0.00012 -0.00158 -0.00103 -0.00051 -0.00089 70 4XX 0.00000 -0.00000 -0.00001 0.00000 -0.00001 71 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 72 4ZZ -0.00000 0.00001 0.00003 0.00001 0.00003 73 4XY -0.00000 0.00000 0.00000 -0.00000 0.00001 74 4XZ -0.00000 0.00001 0.00003 0.00001 0.00004 75 4YZ -0.00000 0.00001 0.00001 -0.00000 0.00001 76 6 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00000 -0.00002 -0.00000 -0.00001 78 2PX 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 79 2PY 0.00000 -0.00000 0.00001 0.00000 -0.00001 80 2PZ 0.00000 -0.00001 -0.00004 -0.00001 -0.00003 81 3S 0.00001 -0.00024 -0.00082 0.00003 -0.00059 82 3PX 0.00001 -0.00005 -0.00005 -0.00024 -0.00026 83 3PY 0.00001 -0.00015 0.00023 -0.00002 -0.00027 84 3PZ 0.00001 -0.00031 -0.00016 0.00028 -0.00059 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 -0.00009 -0.00001 -0.00013 -0.00021 93 2PX 0.00000 -0.00000 -0.00006 -0.00001 -0.00000 94 2PY 0.00000 -0.00006 -0.00002 -0.00005 -0.00007 95 2PZ 0.00000 -0.00038 -0.00001 -0.00041 -0.00054 96 3S 0.00007 -0.00131 -0.00009 -0.00153 -0.00289 97 3PX -0.00000 0.00000 -0.00076 -0.00000 0.00004 98 3PY -0.00003 0.00014 -0.00005 0.00043 0.00106 99 3PZ 0.00022 -0.00343 -0.00008 -0.00313 -0.00450 100 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 101 4YY -0.00000 0.00000 -0.00000 0.00001 0.00001 102 4ZZ -0.00000 0.00000 0.00000 0.00003 0.00002 103 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 104 4XZ -0.00000 0.00000 0.00003 0.00001 0.00000 105 4YZ -0.00000 0.00003 0.00001 0.00004 0.00007 106 8 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 107 2S 0.00000 -0.00000 -0.00002 0.00000 -0.00001 108 2PX 0.00000 -0.00000 -0.00002 0.00000 -0.00002 109 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 110 2PZ 0.00000 -0.00001 -0.00005 0.00000 -0.00004 111 3S 0.00001 -0.00033 -0.00079 0.00004 -0.00076 112 3PX 0.00001 -0.00015 -0.00012 -0.00002 -0.00036 113 3PY 0.00000 -0.00003 0.00011 -0.00004 -0.00005 114 3PZ 0.00000 -0.00029 0.00021 0.00006 -0.00072 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 0.00001 -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 -0.00006 -0.00007 -0.00007 -0.00013 123 2PX 0.00000 -0.00004 0.00001 -0.00004 -0.00013 124 2PY 0.00000 -0.00004 0.00001 -0.00003 -0.00008 125 2PZ 0.00000 -0.00018 -0.00001 -0.00015 -0.00023 126 3S 0.00006 -0.00097 -0.00149 -0.00102 -0.00184 127 3PX 0.00003 -0.00057 -0.00000 -0.00030 -0.00190 128 3PY 0.00004 -0.00010 0.00081 0.00002 0.00005 129 3PZ 0.00017 -0.00207 0.00014 -0.00108 -0.00118 130 4XX 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 131 4YY -0.00000 0.00000 -0.00001 0.00000 0.00000 132 4ZZ -0.00000 0.00001 0.00001 0.00003 0.00004 133 4XY -0.00000 0.00000 -0.00000 0.00001 0.00001 134 4XZ -0.00000 0.00000 0.00000 0.00001 0.00002 135 4YZ -0.00000 0.00001 0.00001 0.00002 0.00004 136 10 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 137 2S -0.00000 0.00013 0.00005 0.00020 0.00027 138 11 H 1S 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 139 2S 0.00001 -0.00029 0.00013 -0.00016 -0.00036 140 12 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 141 2S -0.00000 0.00002 0.00006 -0.00002 0.00003 142 13 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 143 2S -0.00000 -0.00000 0.00004 -0.00000 0.00000 144 14 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00000 0.00014 0.00001 0.00033 0.00019 146 15 C 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 147 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 148 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 149 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 150 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 151 3S 0.00000 -0.00001 0.00020 -0.00004 -0.00002 152 3PX 0.00000 -0.00001 0.00002 -0.00009 -0.00000 153 3PY 0.00000 0.00001 0.00003 0.00001 -0.00004 154 3PZ -0.00000 0.00001 0.00009 0.00004 0.00000 155 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 156 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 157 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 159 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 160 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 161 16 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 162 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 164 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 166 3S -0.00000 -0.00000 -0.00002 -0.00000 0.00000 167 3PX -0.00000 0.00000 -0.00003 -0.00000 0.00001 168 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 169 3PZ -0.00000 -0.00000 -0.00001 -0.00000 0.00000 170 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 173 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 174 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 175 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 176 17 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 178 2PX 0.00000 -0.00001 -0.00003 -0.00000 -0.00001 179 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 180 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 181 3S 0.00001 -0.00023 0.00084 -0.00002 -0.00024 182 3PX 0.00002 -0.00047 -0.00036 -0.00004 -0.00034 183 3PY 0.00000 -0.00000 0.00003 0.00007 -0.00003 184 3PZ 0.00000 -0.00002 0.00035 -0.00000 0.00001 185 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 187 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 188 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 191 18 O 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 192 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 193 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 194 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 195 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 196 3S -0.00000 0.00000 -0.00002 -0.00000 -0.00000 197 3PX -0.00000 0.00001 -0.00003 0.00000 0.00000 198 3PY 0.00000 -0.00000 -0.00002 0.00000 -0.00000 199 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 200 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 203 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 204 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 206 19 O 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 207 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 208 2PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 209 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 210 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 211 3S 0.00000 0.00000 -0.00000 0.00000 -0.00000 212 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 213 3PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 214 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 215 4XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 216 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 217 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 218 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 219 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 220 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 221 20 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 -0.00001 0.00003 0.00001 -0.00000 223 21 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 224 2S -0.00000 0.00012 0.00015 0.00010 0.00026 225 22 H 1S 0.00000 -0.00011 -0.00002 -0.00047 -0.00002 226 2S 0.00011 -0.00170 -0.00025 -0.00648 -0.00018 227 23 H 1S -0.00190 0.03044 0.00010 0.00343 0.09030 228 2S -0.00149 0.01435 0.00005 0.00181 0.05847 229 24 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 230 2S -0.00000 0.00013 -0.00007 0.00018 0.00000 231 25 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 232 2S -0.00000 0.00012 -0.00041 0.00053 0.00000 233 26 H 1S 0.00000 -0.00001 -0.00000 -0.00002 -0.00000 234 2S 0.00002 -0.00049 -0.00004 -0.00096 0.00035 36 37 38 39 40 36 3S 0.29102 37 3PX 0.00000 0.18310 38 3PY 0.00000 -0.00000 0.07628 39 3PZ 0.00000 -0.00000 -0.00000 0.05169 40 4XX -0.00775 0.00000 0.00000 0.00000 0.00094 41 4YY -0.00378 0.00000 0.00000 0.00000 0.00009 42 4ZZ 0.00346 0.00000 0.00000 0.00000 -0.00003 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 0.00096 -0.00002 -0.00041 0.00018 0.00000 47 2S 0.00018 0.00027 0.00667 0.00661 -0.00015 48 2PX 0.00069 0.00079 0.00071 0.00037 0.00002 49 2PY 0.01784 0.00070 0.00124 0.00959 -0.00025 50 2PZ 0.00499 0.00106 0.01999 -0.00010 -0.00022 51 3S -0.01858 0.00103 0.00940 0.00800 -0.00032 52 3PX 0.00046 0.00017 0.00032 0.00023 -0.00006 53 3PY 0.01163 0.00076 -0.00412 0.00510 -0.00034 54 3PZ -0.00156 0.00035 0.01350 -0.00047 -0.00009 55 4XX -0.00045 -0.00011 -0.00095 -0.00028 0.00001 56 4YY 0.00031 0.00016 -0.00013 0.00064 -0.00001 57 4ZZ 0.00089 0.00005 0.00098 -0.00052 -0.00001 58 4XY 0.00001 0.00050 0.00001 0.00001 0.00000 59 4XZ 0.00005 0.00067 0.00006 0.00000 -0.00000 60 4YZ 0.00095 0.00007 0.00007 0.00001 -0.00004 61 5 C 1S 0.00004 0.00012 0.00000 0.00008 -0.00000 62 2S -0.00047 -0.00230 -0.00030 -0.00069 0.00001 63 2PX -0.00041 -0.00055 -0.00055 -0.00031 0.00000 64 2PY -0.00038 -0.00003 0.00021 -0.00024 0.00000 65 2PZ -0.00048 -0.00226 -0.00126 0.00003 0.00002 66 3S 0.00296 -0.01110 -0.00100 0.00031 0.00012 67 3PX -0.00073 -0.00050 -0.00111 -0.00193 0.00006 68 3PY 0.00027 0.00132 0.00058 0.00101 -0.00001 69 3PZ -0.00126 -0.00483 -0.00201 -0.00003 0.00018 70 4XX -0.00002 -0.00012 -0.00003 -0.00002 -0.00000 71 4YY -0.00007 -0.00008 0.00001 -0.00011 0.00000 72 4ZZ 0.00011 0.00033 0.00008 0.00013 -0.00000 73 4XY 0.00000 0.00001 -0.00003 0.00000 -0.00000 74 4XZ 0.00005 0.00007 0.00003 0.00008 -0.00000 75 4YZ 0.00004 0.00006 -0.00004 0.00003 -0.00000 76 6 C 1S 0.00001 0.00003 0.00000 0.00003 -0.00000 77 2S -0.00035 -0.00078 -0.00018 -0.00078 0.00000 78 2PX -0.00031 -0.00008 -0.00019 -0.00069 0.00000 79 2PY -0.00019 0.00014 -0.00006 -0.00015 -0.00000 80 2PZ -0.00097 -0.00092 -0.00046 -0.00135 0.00000 81 3S -0.00280 -0.00417 -0.00063 -0.00388 0.00003 82 3PX -0.00102 0.00039 -0.00073 -0.00195 0.00001 83 3PY -0.00130 0.00079 -0.00004 -0.00088 -0.00000 84 3PZ -0.00304 -0.00055 -0.00038 -0.00247 0.00001 85 4XX -0.00002 -0.00001 -0.00002 -0.00006 0.00000 86 4YY 0.00001 -0.00004 -0.00000 0.00001 0.00000 87 4ZZ 0.00003 0.00011 0.00004 0.00011 -0.00000 88 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 89 4XZ -0.00002 0.00001 -0.00001 0.00000 -0.00000 90 4YZ -0.00001 -0.00002 -0.00001 -0.00001 0.00000 91 7 C 1S 0.00003 0.00001 0.00011 -0.00008 -0.00000 92 2S -0.00192 -0.00007 -0.00146 -0.00174 0.00000 93 2PX -0.00010 -0.00114 -0.00018 -0.00011 0.00000 94 2PY -0.00268 -0.00018 -0.00050 -0.00300 0.00000 95 2PZ -0.00296 -0.00003 -0.00257 0.00154 -0.00000 96 3S -0.00443 -0.00021 -0.00317 -0.00290 0.00000 97 3PX -0.00015 -0.00301 -0.00015 -0.00002 -0.00000 98 3PY -0.00271 -0.00026 -0.00004 -0.00089 -0.00002 99 3PZ -0.00638 -0.00009 -0.00457 0.00011 -0.00001 100 4XX -0.00001 0.00000 -0.00007 -0.00013 0.00000 101 4YY 0.00013 -0.00001 0.00012 0.00003 0.00000 102 4ZZ 0.00006 0.00001 0.00007 0.00028 -0.00000 103 4XY 0.00000 -0.00005 0.00000 0.00000 0.00000 104 4XZ 0.00001 0.00028 0.00003 0.00001 0.00000 105 4YZ 0.00019 0.00003 0.00005 0.00021 -0.00000 106 8 C 1S 0.00001 0.00004 -0.00000 0.00002 -0.00000 107 2S -0.00036 -0.00090 0.00002 -0.00070 0.00000 108 2PX -0.00061 -0.00021 0.00002 -0.00115 0.00000 109 2PY -0.00003 0.00011 -0.00005 0.00000 0.00000 110 2PZ -0.00073 -0.00137 -0.00004 -0.00096 0.00000 111 3S -0.00310 -0.00435 0.00008 -0.00381 0.00001 112 3PX -0.00221 -0.00004 -0.00002 -0.00281 0.00001 113 3PY -0.00024 0.00041 0.00023 -0.00007 0.00000 114 3PZ -0.00201 -0.00003 -0.00010 -0.00184 0.00004 115 4XX -0.00001 -0.00004 -0.00000 -0.00003 -0.00000 116 4YY 0.00001 -0.00004 0.00000 0.00000 0.00000 117 4ZZ 0.00001 0.00017 0.00000 0.00008 -0.00000 118 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 119 4XZ -0.00003 -0.00000 -0.00000 -0.00002 -0.00000 120 4YZ -0.00000 -0.00000 -0.00003 -0.00000 -0.00000 121 9 C 1S 0.00006 0.00007 0.00006 0.00012 -0.00000 122 2S -0.00052 -0.00125 -0.00124 -0.00077 -0.00000 123 2PX 0.00010 0.00001 -0.00060 0.00022 -0.00000 124 2PY -0.00094 0.00003 -0.00015 -0.00075 0.00000 125 2PZ -0.00121 -0.00050 -0.00281 -0.00073 -0.00000 126 3S 0.00087 -0.00620 -0.00477 -0.00161 -0.00002 127 3PX 0.00030 0.00039 -0.00099 -0.00074 -0.00004 128 3PY -0.00078 0.00189 0.00016 -0.00017 0.00001 129 3PZ -0.00375 -0.00061 -0.00407 -0.00120 -0.00000 130 4XX -0.00004 -0.00002 -0.00018 -0.00006 0.00000 131 4YY -0.00003 -0.00010 0.00005 -0.00005 0.00000 132 4ZZ 0.00012 0.00016 0.00026 0.00014 -0.00000 133 4XY 0.00000 -0.00000 0.00000 0.00001 -0.00000 134 4XZ 0.00000 0.00000 0.00001 0.00004 -0.00000 135 4YZ 0.00010 0.00006 0.00003 0.00009 -0.00000 136 10 H 1S 0.00006 0.00000 0.00016 0.00008 -0.00000 137 2S 0.00092 0.00046 0.00200 0.00102 -0.00000 138 11 H 1S -0.00016 -0.00029 -0.00042 -0.00022 0.00000 139 2S -0.00088 0.00139 -0.00103 -0.00105 0.00004 140 12 H 1S 0.00007 -0.00008 -0.00002 0.00010 -0.00000 141 2S 0.00078 0.00037 -0.00021 0.00057 -0.00000 142 13 H 1S 0.00000 0.00002 0.00000 0.00002 -0.00000 143 2S 0.00013 0.00057 0.00000 0.00035 0.00000 144 14 H 1S 0.00014 0.00001 0.00021 0.00014 -0.00000 145 2S 0.00199 0.00007 0.00232 0.00151 -0.00000 146 15 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 147 2S 0.00003 -0.00007 -0.00002 0.00003 0.00000 148 2PX 0.00002 -0.00005 -0.00006 0.00002 0.00000 149 2PY 0.00002 -0.00000 -0.00001 -0.00001 0.00000 150 2PZ -0.00000 -0.00004 -0.00001 -0.00002 -0.00000 151 3S 0.00005 0.00183 -0.00009 -0.00013 -0.00000 152 3PX -0.00003 0.00009 -0.00042 -0.00002 0.00000 153 3PY 0.00009 0.00026 0.00002 -0.00013 0.00000 154 3PZ 0.00015 0.00051 0.00024 -0.00000 -0.00000 155 4XX -0.00000 -0.00002 -0.00001 -0.00001 0.00000 156 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 157 4ZZ 0.00000 0.00001 0.00000 0.00001 -0.00000 158 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 159 4XZ -0.00000 0.00001 0.00000 -0.00000 -0.00000 160 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 161 16 O 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 162 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 163 2PX 0.00002 -0.00002 -0.00001 0.00001 -0.00000 164 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 165 2PZ 0.00001 -0.00000 -0.00000 0.00000 0.00000 166 3S -0.00003 -0.00078 -0.00007 0.00005 -0.00000 167 3PX 0.00023 -0.00057 -0.00012 0.00015 -0.00000 168 3PY -0.00001 -0.00002 0.00002 -0.00001 0.00000 169 3PZ 0.00009 -0.00004 -0.00000 0.00002 0.00000 170 4XX 0.00001 0.00001 0.00000 0.00000 -0.00000 171 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 172 4ZZ -0.00000 0.00001 0.00000 -0.00000 -0.00000 173 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 175 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 176 17 C 1S 0.00001 0.00001 0.00000 0.00001 -0.00000 177 2S -0.00008 -0.00065 -0.00002 -0.00007 0.00000 178 2PX -0.00001 -0.00062 -0.00010 0.00001 0.00000 179 2PY 0.00005 0.00004 -0.00003 0.00004 -0.00000 180 2PZ -0.00001 0.00017 0.00000 0.00000 0.00000 181 3S -0.00048 0.00496 -0.00026 -0.00051 0.00000 182 3PX -0.00087 -0.00055 -0.00010 -0.00050 0.00002 183 3PY 0.00008 0.00025 0.00020 -0.00002 0.00000 184 3PZ 0.00032 0.00154 0.00001 -0.00010 0.00000 185 4XX 0.00000 -0.00006 -0.00002 -0.00000 0.00000 186 4YY 0.00001 -0.00000 0.00000 0.00000 -0.00000 187 4ZZ 0.00000 0.00002 0.00001 0.00000 -0.00000 188 4XY -0.00000 0.00001 0.00001 -0.00000 -0.00000 189 4XZ 0.00000 0.00004 0.00000 -0.00000 -0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 191 18 O 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 192 2S -0.00001 0.00001 0.00001 -0.00000 -0.00000 193 2PX -0.00003 -0.00001 0.00002 -0.00001 0.00000 194 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 195 2PZ 0.00000 -0.00000 0.00000 -0.00001 0.00000 196 3S -0.00000 -0.00054 0.00006 -0.00001 -0.00000 197 3PX -0.00027 -0.00018 0.00020 -0.00004 -0.00000 198 3PY 0.00003 -0.00029 0.00000 0.00001 0.00000 199 3PZ 0.00002 0.00002 0.00002 -0.00005 0.00000 200 4XX -0.00000 0.00002 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ -0.00000 0.00001 -0.00000 -0.00000 -0.00000 203 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 205 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 206 19 O 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 209 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 210 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 211 3S 0.00001 -0.00003 0.00001 -0.00000 0.00000 212 3PX 0.00000 0.00001 0.00001 0.00002 -0.00000 213 3PY -0.00001 -0.00002 0.00000 0.00000 -0.00000 214 3PZ 0.00000 -0.00004 0.00001 -0.00000 0.00000 215 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 216 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 217 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 218 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 219 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 220 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 221 20 H 1S 0.00001 0.00001 0.00001 0.00002 -0.00000 222 2S 0.00020 0.00039 0.00013 0.00048 -0.00000 223 21 H 1S 0.00004 0.00007 0.00010 0.00003 -0.00000 224 2S 0.00070 0.00146 0.00095 0.00071 -0.00001 225 22 H 1S -0.00387 -0.00004 -0.00091 -0.00055 0.00000 226 2S -0.01253 -0.00005 -0.00457 -0.00118 0.00004 227 23 H 1S 0.04466 0.00004 0.00174 0.04204 -0.00065 228 2S 0.03360 0.00001 0.00076 0.03707 -0.00077 229 24 H 1S 0.00010 -0.00005 -0.00014 -0.00000 0.00000 230 2S 0.00129 -0.00050 -0.00064 -0.00001 0.00000 231 25 H 1S 0.00011 -0.00032 0.00017 -0.00000 -0.00000 232 2S 0.00150 -0.00334 0.00226 -0.00001 -0.00001 233 26 H 1S -0.00045 0.00002 0.00033 -0.00024 -0.00000 234 2S -0.00182 0.00004 0.00038 -0.00038 -0.00000 41 42 43 44 45 41 4YY 0.00116 42 4ZZ -0.00028 0.00164 43 4XY -0.00000 -0.00000 0.00068 44 4XZ -0.00000 0.00000 -0.00000 0.00033 45 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00118 46 4 C 1S -0.00002 -0.00001 -0.00000 -0.00000 -0.00009 47 2S 0.00052 0.00029 0.00006 0.00008 0.00158 48 2PX 0.00004 0.00006 0.00053 0.00042 0.00019 49 2PY -0.00095 0.00093 0.00003 0.00019 0.00132 50 2PZ 0.00110 -0.00072 0.00016 0.00005 0.00083 51 3S 0.00153 -0.00028 0.00003 0.00004 0.00094 52 3PX 0.00004 0.00006 0.00031 0.00020 0.00004 53 3PY -0.00074 0.00048 0.00000 0.00004 0.00007 54 3PZ 0.00083 -0.00072 0.00003 0.00000 0.00001 55 4XX -0.00002 0.00001 0.00000 0.00000 -0.00002 56 4YY 0.00006 -0.00017 0.00001 0.00001 -0.00003 57 4ZZ -0.00007 0.00003 -0.00000 -0.00000 -0.00001 58 4XY 0.00001 -0.00002 -0.00002 0.00003 0.00001 59 4XZ -0.00002 0.00000 -0.00006 -0.00001 0.00000 60 4YZ -0.00006 0.00002 -0.00001 0.00000 0.00005 61 5 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 62 2S -0.00000 0.00001 0.00000 0.00001 -0.00000 63 2PX -0.00001 0.00004 0.00001 0.00003 0.00000 64 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 65 2PZ -0.00001 0.00003 0.00001 0.00003 0.00000 66 3S -0.00012 0.00011 0.00004 0.00004 0.00000 67 3PX -0.00016 0.00034 0.00002 0.00005 -0.00001 68 3PY 0.00001 -0.00005 0.00001 0.00002 -0.00002 69 3PZ -0.00014 0.00014 0.00006 0.00010 -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 0.00002 -0.00005 -0.00001 -0.00001 0.00001 82 3PX 0.00001 -0.00003 -0.00000 0.00000 -0.00002 83 3PY 0.00001 -0.00001 -0.00000 0.00000 -0.00001 84 3PZ 0.00002 -0.00002 0.00001 0.00001 0.00002 85 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 86 4YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 87 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 89 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 91 7 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 92 2S -0.00000 0.00002 -0.00000 0.00000 0.00002 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 95 2PZ -0.00003 0.00013 -0.00000 0.00001 0.00012 96 3S -0.00018 0.00041 -0.00000 0.00001 0.00012 97 3PX 0.00000 0.00001 0.00002 -0.00002 0.00000 98 3PY -0.00002 0.00006 -0.00000 0.00000 0.00003 99 3PZ -0.00039 0.00084 -0.00001 0.00001 0.00025 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 0.00001 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 0.00003 -0.00005 -0.00000 -0.00000 0.00000 112 3PX 0.00001 -0.00004 0.00000 0.00000 -0.00000 113 3PY 0.00000 -0.00000 -0.00001 0.00000 -0.00002 114 3PZ 0.00000 -0.00004 0.00000 0.00003 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 0.00001 0.00001 0.00001 0.00000 123 2PX 0.00000 0.00003 0.00001 0.00001 0.00001 124 2PY -0.00000 0.00000 0.00000 0.00001 0.00000 125 2PZ -0.00000 0.00003 0.00003 0.00002 0.00002 126 3S -0.00004 0.00011 0.00007 0.00002 0.00002 127 3PX -0.00002 0.00023 0.00000 0.00000 0.00001 128 3PY -0.00002 0.00002 -0.00000 0.00004 0.00001 129 3PZ -0.00002 0.00012 0.00009 0.00006 0.00002 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 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 137 2S 0.00000 -0.00001 -0.00000 -0.00000 0.00000 138 11 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 139 2S -0.00004 0.00000 -0.00001 -0.00001 -0.00001 140 12 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 141 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 142 13 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 143 2S -0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 145 2S 0.00000 -0.00002 -0.00000 -0.00000 -0.00000 146 15 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 147 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 148 2PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 149 2PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 150 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 152 3PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 153 3PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 154 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 155 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 156 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 157 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 158 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 161 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 163 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 164 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 165 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 166 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 167 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 168 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 170 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 174 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 175 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 176 17 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 177 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 178 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 179 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 180 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 181 3S -0.00000 0.00001 -0.00001 -0.00000 -0.00000 182 3PX -0.00002 0.00001 -0.00001 -0.00002 -0.00000 183 3PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 184 3PZ -0.00000 -0.00001 -0.00000 0.00000 -0.00000 185 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 186 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 187 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 188 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 190 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 191 18 O 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 192 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 193 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 195 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 196 3S -0.00000 -0.00000 0.00000 -0.00000 0.00000 197 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 198 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 199 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 200 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 201 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 203 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 204 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 205 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 206 19 O 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 207 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 208 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 209 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 210 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 211 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 212 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 213 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 214 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 215 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 216 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 218 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 221 20 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 222 2S -0.00000 0.00000 0.00000 0.00000 0.00000 223 21 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 224 2S 0.00000 -0.00001 -0.00000 0.00000 0.00000 225 22 H 1S 0.00010 -0.00001 0.00001 -0.00000 -0.00000 226 2S 0.00075 -0.00039 0.00003 -0.00000 -0.00007 227 23 H 1S -0.00116 0.00626 -0.00000 0.00002 0.00057 228 2S -0.00296 0.00567 -0.00000 0.00001 0.00014 229 24 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 230 2S -0.00003 0.00000 -0.00000 0.00000 -0.00000 231 25 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 232 2S -0.00001 0.00000 -0.00002 0.00000 -0.00000 233 26 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 234 2S -0.00007 0.00008 -0.00000 -0.00000 -0.00002 46 47 48 49 50 46 4 C 1S 2.05233 47 2S -0.01119 0.31079 48 2PX 0.00000 0.00000 0.37772 49 2PY 0.00000 0.00000 0.00000 0.40849 50 2PZ 0.00000 0.00000 0.00000 -0.00000 0.39425 51 3S -0.03841 0.22820 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.08591 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.09822 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.08633 55 4XX -0.00108 -0.00479 0.00000 0.00000 0.00000 56 4YY -0.00130 -0.00086 0.00000 0.00000 0.00000 57 4ZZ -0.00112 -0.00391 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 -0.00015 -0.00070 -0.00010 -0.00038 62 2S -0.00015 0.00372 0.01464 0.00189 0.00839 63 2PX -0.00063 0.01335 0.02139 0.00532 0.01985 64 2PY -0.00010 0.00207 0.00626 -0.00067 0.00322 65 2PZ -0.00037 0.00780 0.02051 0.00256 0.00382 66 3S 0.00057 0.00519 0.01779 0.00366 0.01067 67 3PX -0.00032 0.01039 0.00476 0.00362 0.01665 68 3PY -0.00010 0.00027 0.00382 0.00206 0.00263 69 3PZ -0.00058 0.00880 0.01530 0.00130 -0.00213 70 4XX -0.00003 0.00070 -0.00093 0.00018 0.00129 71 4YY 0.00000 -0.00022 -0.00025 0.00001 -0.00026 72 4ZZ -0.00001 0.00008 0.00052 0.00012 -0.00033 73 4XY -0.00002 0.00030 0.00019 0.00020 0.00044 74 4XZ -0.00005 0.00103 0.00108 0.00045 0.00001 75 4YZ -0.00001 0.00017 0.00035 0.00019 0.00002 76 6 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00003 -0.00003 -0.00007 -0.00007 78 2PX 0.00000 -0.00002 -0.00000 -0.00000 -0.00002 79 2PY 0.00000 -0.00010 -0.00006 -0.00019 -0.00016 80 2PZ 0.00000 -0.00006 -0.00005 -0.00009 -0.00007 81 3S -0.00000 -0.00107 0.00020 -0.00267 -0.00122 82 3PX -0.00001 -0.00035 0.00003 0.00021 -0.00058 83 3PY 0.00002 -0.00120 -0.00000 -0.00218 -0.00228 84 3PZ 0.00003 -0.00124 -0.00021 -0.00155 -0.00010 85 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 86 4YY -0.00000 0.00000 0.00000 0.00001 0.00001 87 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00001 88 4XY -0.00000 0.00000 0.00000 0.00001 0.00001 89 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 90 4YZ -0.00000 0.00000 0.00001 0.00001 0.00001 91 7 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00004 -0.00001 -0.00009 -0.00003 93 2PX 0.00000 -0.00000 -0.00002 -0.00002 -0.00000 94 2PY 0.00000 -0.00012 -0.00002 -0.00011 -0.00010 95 2PZ 0.00000 -0.00001 -0.00000 -0.00010 0.00003 96 3S 0.00010 -0.00039 -0.00006 -0.00074 0.00024 97 3PX 0.00000 0.00004 -0.00058 -0.00017 0.00007 98 3PY 0.00015 -0.00047 -0.00002 0.00077 0.00122 99 3PZ 0.00003 0.00003 0.00007 -0.00060 -0.00003 100 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 101 4YY -0.00000 0.00000 -0.00000 0.00001 -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 -0.00003 -0.00006 -0.00003 -0.00006 108 2PX 0.00000 -0.00008 -0.00008 -0.00002 -0.00009 109 2PY 0.00000 -0.00005 -0.00013 -0.00005 -0.00009 110 2PZ 0.00000 -0.00007 -0.00011 -0.00004 -0.00007 111 3S -0.00001 -0.00088 -0.00063 -0.00183 -0.00156 112 3PX 0.00001 -0.00115 -0.00047 -0.00036 -0.00145 113 3PY 0.00004 -0.00085 -0.00159 -0.00050 -0.00140 114 3PZ 0.00002 -0.00102 -0.00141 -0.00085 -0.00031 115 4XX -0.00000 0.00000 0.00001 0.00000 0.00000 116 4YY 0.00000 -0.00000 -0.00001 0.00000 -0.00001 117 4ZZ -0.00000 0.00000 0.00001 0.00000 0.00001 118 4XY -0.00000 0.00001 0.00002 0.00000 0.00002 119 4XZ -0.00000 0.00000 0.00001 0.00000 0.00001 120 4YZ -0.00000 0.00000 0.00001 0.00000 0.00001 121 9 C 1S 0.00000 -0.00013 -0.00076 -0.00000 -0.00040 122 2S -0.00014 0.00358 0.01510 0.00007 0.00810 123 2PX -0.00076 0.01649 0.03042 0.00021 0.02379 124 2PY -0.00000 0.00007 0.00010 0.00072 0.00007 125 2PZ -0.00037 0.00786 0.02267 0.00011 0.00433 126 3S 0.00069 0.00172 0.02273 -0.00016 0.01350 127 3PX -0.00072 0.01297 0.00936 0.00025 0.01573 128 3PY 0.00000 0.00016 0.00012 0.00305 0.00009 129 3PZ -0.00035 0.00530 0.01442 0.00014 -0.00216 130 4XX -0.00004 0.00103 -0.00033 0.00001 0.00185 131 4YY 0.00000 -0.00023 -0.00046 -0.00000 -0.00031 132 4ZZ -0.00001 0.00010 0.00037 -0.00001 -0.00038 133 4XY 0.00000 0.00000 0.00001 0.00066 0.00002 134 4XZ -0.00007 0.00132 0.00168 0.00002 0.00016 135 4YZ -0.00000 0.00000 0.00003 0.00045 -0.00001 136 10 H 1S 0.00000 -0.00012 -0.00010 -0.00008 -0.00031 137 2S 0.00012 -0.00218 -0.00142 -0.00131 -0.00540 138 11 H 1S 0.00000 -0.00013 -0.00042 -0.00002 -0.00000 139 2S 0.00014 -0.00238 -0.00672 -0.00021 0.00002 140 12 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 141 2S -0.00000 0.00009 0.00021 0.00004 0.00004 142 13 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 143 2S -0.00000 0.00008 0.00007 0.00002 0.00024 144 14 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00000 0.00002 0.00000 0.00002 0.00002 146 15 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 147 2S -0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 151 3S -0.00000 0.00003 0.00005 0.00008 0.00001 152 3PX -0.00000 0.00003 0.00002 0.00005 -0.00001 153 3PY -0.00000 0.00000 0.00002 -0.00002 0.00001 154 3PZ 0.00000 -0.00000 -0.00003 -0.00002 0.00000 155 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 156 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 159 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 160 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 161 16 O 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 162 2S -0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 166 3S 0.00000 0.00000 0.00001 0.00000 -0.00000 167 3PX -0.00000 0.00001 0.00002 0.00000 0.00000 168 3PY -0.00000 0.00001 0.00004 0.00001 0.00000 169 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 170 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 172 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 173 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 174 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 176 17 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 -0.00003 -0.00016 -0.00001 0.00000 178 2PX 0.00000 -0.00011 -0.00036 -0.00003 0.00000 179 2PY 0.00000 -0.00001 -0.00004 -0.00000 -0.00000 180 2PZ -0.00000 0.00000 0.00002 0.00000 -0.00001 181 3S 0.00004 -0.00083 -0.00280 -0.00014 0.00004 182 3PX 0.00010 -0.00188 -0.00298 -0.00014 0.00009 183 3PY 0.00001 0.00004 0.00035 -0.00020 0.00000 184 3PZ 0.00000 -0.00001 0.00011 0.00000 0.00023 185 4XX -0.00000 0.00001 0.00009 0.00000 0.00000 186 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 -0.00000 -0.00001 -0.00000 0.00000 188 4XY -0.00000 0.00000 0.00001 0.00000 0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 190 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 191 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 193 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 194 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 195 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 196 3S -0.00000 -0.00000 -0.00006 0.00000 -0.00001 197 3PX 0.00000 -0.00014 -0.00047 -0.00000 0.00003 198 3PY 0.00000 -0.00000 -0.00001 -0.00002 0.00000 199 3PZ -0.00000 0.00002 0.00008 -0.00000 0.00000 200 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 203 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 204 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 205 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 206 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 208 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 209 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 212 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 213 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 216 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 219 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 220 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 221 20 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 222 2S -0.00000 0.00007 0.00004 0.00005 0.00024 223 21 H 1S 0.00000 -0.00011 -0.00012 -0.00002 -0.00026 224 2S 0.00010 -0.00170 -0.00180 -0.00040 -0.00476 225 22 H 1S -0.00160 0.02647 0.00346 0.07324 0.01783 226 2S -0.00115 0.01044 0.00213 0.04673 0.01173 227 23 H 1S 0.00000 -0.00009 -0.00000 -0.00007 -0.00039 228 2S 0.00014 -0.00193 -0.00005 -0.00119 -0.00752 229 24 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 231 25 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 232 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 233 26 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 234 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 51 52 53 54 55 51 3S 0.29788 52 3PX 0.00000 0.07111 53 3PY 0.00000 -0.00000 0.08443 54 3PZ 0.00000 0.00000 0.00000 0.06512 55 4XX -0.00455 0.00000 0.00000 0.00000 0.00131 56 4YY 0.00141 0.00000 0.00000 0.00000 -0.00021 57 4ZZ -0.00300 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 0.00028 -0.00046 -0.00001 -0.00059 -0.00003 62 2S 0.00150 0.00908 0.00107 0.00663 0.00080 63 2PX 0.01185 0.00429 0.00269 0.00941 -0.00039 64 2PY 0.00213 0.00421 -0.00137 0.00257 0.00039 65 2PZ 0.00671 0.01010 0.00038 -0.00186 0.00124 66 3S -0.01023 0.00121 -0.00174 0.00688 0.00214 67 3PX 0.00384 -0.00294 0.00226 0.00968 -0.00005 68 3PY -0.00031 0.00402 -0.00113 0.00229 0.00037 69 3PZ 0.00597 0.00760 -0.00030 -0.00406 0.00105 70 4XX 0.00111 -0.00077 0.00009 0.00094 0.00004 71 4YY -0.00064 -0.00033 -0.00019 -0.00037 -0.00003 72 4ZZ 0.00031 0.00081 0.00016 -0.00048 -0.00004 73 4XY 0.00011 0.00002 0.00028 0.00009 0.00002 74 4XZ 0.00055 0.00009 0.00009 -0.00001 -0.00006 75 4YZ 0.00010 0.00009 0.00018 0.00000 -0.00003 76 6 C 1S 0.00002 0.00002 0.00002 0.00005 0.00000 77 2S -0.00043 -0.00039 -0.00063 -0.00096 -0.00000 78 2PX 0.00034 0.00009 0.00050 0.00013 -0.00000 79 2PY -0.00070 -0.00068 -0.00049 -0.00151 -0.00001 80 2PZ -0.00077 -0.00086 0.00015 -0.00024 -0.00000 81 3S -0.00386 0.00092 -0.00303 -0.00302 -0.00005 82 3PX 0.00044 0.00089 0.00065 -0.00058 -0.00001 83 3PY -0.00038 0.00011 -0.00094 -0.00395 -0.00027 84 3PZ -0.00381 -0.00116 -0.00060 0.00001 -0.00005 85 4XX 0.00001 -0.00001 0.00006 -0.00004 0.00000 86 4YY -0.00002 -0.00001 0.00002 -0.00003 -0.00000 87 4ZZ 0.00004 0.00006 -0.00006 0.00006 0.00000 88 4XY 0.00002 -0.00001 0.00004 0.00005 0.00000 89 4XZ 0.00001 -0.00000 0.00002 0.00001 -0.00000 90 4YZ 0.00001 0.00002 0.00003 0.00001 0.00000 91 7 C 1S 0.00010 0.00001 0.00013 0.00002 -0.00000 92 2S -0.00052 -0.00006 0.00000 0.00001 -0.00000 93 2PX 0.00003 -0.00052 -0.00025 0.00003 0.00000 94 2PY -0.00005 -0.00000 0.00279 0.00016 -0.00000 95 2PZ -0.00058 -0.00003 -0.00109 -0.00002 0.00000 96 3S -0.00068 -0.00045 0.00003 0.00115 -0.00002 97 3PX 0.00045 -0.00169 -0.00053 0.00017 0.00000 98 3PY 0.00025 0.00025 0.00398 0.00321 -0.00000 99 3PZ -0.00141 0.00008 -0.00204 -0.00072 -0.00001 100 4XX -0.00001 0.00001 -0.00003 -0.00001 0.00000 101 4YY 0.00003 -0.00002 0.00006 -0.00008 -0.00000 102 4ZZ -0.00005 -0.00000 -0.00015 0.00002 0.00000 103 4XY 0.00000 -0.00002 -0.00001 -0.00000 0.00000 104 4XZ -0.00000 -0.00001 -0.00000 0.00000 0.00000 105 4YZ -0.00002 -0.00001 -0.00003 0.00000 0.00000 106 8 C 1S 0.00000 0.00004 0.00002 0.00003 0.00000 107 2S -0.00001 -0.00077 -0.00015 -0.00061 -0.00000 108 2PX 0.00016 -0.00040 0.00173 -0.00080 -0.00000 109 2PY -0.00033 -0.00109 -0.00017 -0.00094 0.00000 110 2PZ -0.00004 -0.00157 0.00072 0.00013 -0.00000 111 3S 0.00012 -0.00149 -0.00306 -0.00313 -0.00006 112 3PX 0.00002 -0.00048 0.00248 -0.00270 -0.00001 113 3PY -0.00100 -0.00267 -0.00009 -0.00238 -0.00004 114 3PZ -0.00087 -0.00345 -0.00003 0.00009 -0.00001 115 4XX 0.00004 0.00007 0.00001 0.00009 -0.00000 116 4YY -0.00005 -0.00017 0.00003 -0.00009 -0.00000 117 4ZZ 0.00001 0.00015 -0.00006 0.00002 0.00000 118 4XY 0.00003 0.00005 -0.00002 0.00007 -0.00000 119 4XZ 0.00001 0.00002 0.00003 0.00002 0.00000 120 4YZ 0.00002 0.00004 0.00001 0.00001 0.00000 121 9 C 1S 0.00009 -0.00089 0.00002 -0.00051 -0.00004 122 2S 0.00171 0.01131 -0.00007 0.00618 0.00102 123 2PX 0.01657 0.00759 0.00027 0.01280 -0.00058 124 2PY 0.00033 -0.00004 0.00176 -0.00001 -0.00000 125 2PZ 0.00803 0.01461 0.00007 -0.00185 0.00167 126 3S -0.01108 0.01523 -0.00031 0.00975 0.00197 127 3PX 0.01044 -0.00093 0.00030 0.01050 -0.00032 128 3PY 0.00038 -0.00001 0.00288 -0.00001 0.00000 129 3PZ 0.00507 0.01099 0.00006 -0.00425 0.00137 130 4XX 0.00115 -0.00002 0.00003 0.00116 0.00007 131 4YY -0.00060 -0.00100 -0.00001 -0.00046 -0.00002 132 4ZZ 0.00022 0.00041 -0.00000 -0.00055 -0.00006 133 4XY 0.00000 0.00000 0.00046 0.00000 0.00001 134 4XZ 0.00074 0.00019 0.00001 -0.00002 -0.00009 135 4YZ -0.00000 0.00000 0.00024 0.00000 -0.00001 136 10 H 1S -0.00211 -0.00136 -0.00052 -0.00147 -0.00001 137 2S -0.00624 -0.00361 -0.00234 -0.00718 -0.00036 138 11 H 1S -0.00205 -0.00193 -0.00033 -0.00013 0.00010 139 2S -0.00741 -0.00862 -0.00070 -0.00014 0.00072 140 12 H 1S 0.00001 0.00008 -0.00011 0.00006 -0.00000 141 2S 0.00020 0.00089 -0.00047 0.00042 -0.00001 142 13 H 1S 0.00000 0.00010 -0.00006 -0.00003 0.00000 143 2S -0.00012 0.00071 -0.00040 0.00040 0.00001 144 14 H 1S 0.00000 -0.00000 -0.00004 -0.00001 0.00000 145 2S 0.00001 -0.00000 -0.00049 0.00003 -0.00000 146 15 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 147 2S 0.00000 0.00006 0.00001 0.00001 0.00000 148 2PX -0.00005 0.00002 -0.00001 0.00000 0.00000 149 2PY -0.00001 0.00006 -0.00005 0.00002 0.00000 150 2PZ 0.00000 -0.00003 -0.00002 0.00000 -0.00000 151 3S 0.00024 0.00026 0.00045 0.00003 0.00000 152 3PX 0.00001 0.00001 -0.00002 -0.00006 -0.00000 153 3PY 0.00018 0.00025 -0.00007 0.00007 -0.00000 154 3PZ 0.00002 -0.00012 -0.00008 0.00001 0.00000 155 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 157 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 158 4XY -0.00001 -0.00000 0.00000 -0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 160 4YZ -0.00000 -0.00001 -0.00001 0.00000 -0.00000 161 16 O 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 162 2S -0.00000 0.00002 0.00001 0.00000 -0.00000 163 2PX -0.00001 -0.00003 -0.00004 0.00001 -0.00000 164 2PY 0.00002 0.00011 0.00002 0.00001 -0.00000 165 2PZ -0.00001 -0.00002 -0.00001 0.00001 0.00000 166 3S -0.00012 0.00040 0.00023 -0.00000 -0.00000 167 3PX -0.00010 -0.00025 -0.00031 0.00005 -0.00000 168 3PY 0.00027 0.00112 0.00024 0.00006 -0.00000 169 3PZ -0.00013 -0.00021 -0.00007 0.00006 0.00000 170 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 171 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 172 4ZZ 0.00000 0.00001 0.00000 0.00000 -0.00000 173 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 174 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 175 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 176 17 C 1S 0.00002 0.00018 0.00001 0.00000 -0.00000 177 2S -0.00041 -0.00287 -0.00031 0.00000 0.00002 178 2PX -0.00230 -0.00075 -0.00019 -0.00004 0.00008 179 2PY 0.00002 -0.00041 -0.00022 -0.00002 0.00000 180 2PZ -0.00003 0.00014 0.00000 0.00030 -0.00000 181 3S -0.00198 -0.00750 -0.00055 0.00010 0.00023 182 3PX -0.00615 0.00093 0.00074 0.00002 0.00025 183 3PY 0.00018 0.00079 -0.00129 0.00001 -0.00001 184 3PZ -0.00013 0.00021 -0.00002 0.00108 0.00000 185 4XX 0.00015 0.00015 -0.00007 0.00001 0.00000 186 4YY -0.00002 0.00020 0.00003 0.00001 -0.00000 187 4ZZ -0.00001 -0.00006 -0.00001 -0.00000 -0.00000 188 4XY 0.00001 0.00015 -0.00002 0.00000 0.00000 189 4XZ 0.00001 0.00002 0.00001 -0.00003 -0.00000 190 4YZ 0.00000 0.00001 -0.00000 -0.00000 -0.00000 191 18 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 192 2S -0.00005 0.00015 -0.00001 0.00000 -0.00000 193 2PX -0.00019 0.00069 -0.00004 0.00010 -0.00000 194 2PY 0.00000 -0.00002 -0.00009 0.00000 0.00000 195 2PZ 0.00002 -0.00009 -0.00000 0.00001 -0.00000 196 3S -0.00036 0.00103 -0.00003 -0.00005 -0.00000 197 3PX -0.00123 0.00369 -0.00023 0.00053 -0.00002 198 3PY 0.00003 -0.00013 -0.00071 0.00001 0.00000 199 3PZ 0.00014 -0.00041 -0.00001 0.00011 -0.00001 200 4XX -0.00002 0.00007 -0.00000 0.00001 0.00000 201 4YY 0.00001 -0.00002 0.00000 0.00000 -0.00000 202 4ZZ 0.00001 -0.00004 -0.00000 -0.00000 -0.00000 203 4XY -0.00000 0.00000 0.00001 0.00000 0.00000 204 4XZ -0.00001 0.00000 -0.00000 -0.00000 0.00000 205 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 206 19 O 1S -0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 208 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 209 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 212 3PX -0.00000 -0.00000 -0.00003 -0.00000 -0.00000 213 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 214 3PZ 0.00001 0.00002 0.00002 -0.00000 0.00000 215 4XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 H 1S 0.00004 0.00006 -0.00004 0.00006 0.00000 222 2S 0.00021 0.00030 -0.00035 0.00112 0.00001 223 21 H 1S -0.00112 -0.00082 -0.00024 -0.00078 0.00000 224 2S -0.00253 -0.00251 -0.00102 -0.00524 -0.00018 225 22 H 1S 0.04226 0.00192 0.04376 0.00941 -0.00092 226 2S 0.02649 0.00229 0.03837 0.00906 -0.00215 227 23 H 1S -0.00299 -0.00003 -0.00092 -0.00286 0.00000 228 2S -0.01164 -0.00007 -0.00319 -0.01212 0.00018 229 24 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 230 2S -0.00006 -0.00000 -0.00010 -0.00003 0.00000 231 25 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 2S -0.00005 0.00001 -0.00010 -0.00004 -0.00000 233 26 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 234 2S 0.00004 0.00000 0.00002 0.00003 -0.00000 56 57 58 59 60 56 4YY 0.00133 57 4ZZ -0.00004 0.00079 58 4XY 0.00000 -0.00000 0.00077 59 4XZ 0.00000 -0.00000 -0.00000 0.00131 60 4YZ -0.00000 0.00000 0.00000 0.00000 0.00145 61 5 C 1S 0.00000 -0.00000 -0.00002 -0.00006 -0.00001 62 2S -0.00028 0.00003 0.00032 0.00123 0.00020 63 2PX -0.00031 0.00021 0.00037 0.00129 0.00051 64 2PY 0.00001 0.00007 0.00015 0.00050 0.00013 65 2PZ -0.00029 -0.00033 0.00047 0.00011 0.00006 66 3S -0.00117 -0.00031 0.00021 0.00084 0.00009 67 3PX -0.00093 0.00049 0.00005 0.00013 0.00013 68 3PY -0.00021 0.00011 0.00019 0.00014 0.00004 69 3PZ -0.00032 -0.00066 0.00014 -0.00004 -0.00001 70 4XX -0.00004 -0.00003 -0.00000 -0.00007 -0.00001 71 4YY 0.00001 0.00001 0.00000 -0.00000 -0.00000 72 4ZZ 0.00001 0.00000 -0.00001 0.00001 -0.00001 73 4XY 0.00000 -0.00002 -0.00000 -0.00002 -0.00001 74 4XZ -0.00000 0.00001 0.00000 0.00006 -0.00001 75 4YZ -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 76 6 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 77 2S 0.00001 0.00000 0.00000 0.00000 0.00001 78 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 79 2PY 0.00002 0.00001 0.00001 -0.00000 0.00004 80 2PZ 0.00001 0.00000 0.00000 0.00000 0.00001 81 3S 0.00020 0.00002 -0.00001 0.00002 0.00010 82 3PX -0.00002 0.00002 0.00000 -0.00001 -0.00000 83 3PY 0.00027 0.00009 0.00002 -0.00002 0.00016 84 3PZ 0.00014 0.00002 0.00002 0.00001 0.00004 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 0.00001 -0.00000 0.00000 0.00000 0.00000 95 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 96 3S -0.00007 0.00002 0.00000 0.00000 0.00003 97 3PX -0.00002 -0.00000 -0.00003 -0.00000 0.00000 98 3PY -0.00000 -0.00011 -0.00001 0.00000 0.00000 99 3PZ -0.00009 0.00003 -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 0.00001 0.00001 108 2PX 0.00000 -0.00000 0.00001 0.00001 0.00001 109 2PY 0.00000 0.00000 0.00002 0.00001 0.00002 110 2PZ 0.00000 0.00000 0.00001 0.00001 0.00001 111 3S 0.00011 0.00000 0.00005 0.00007 0.00006 112 3PX 0.00002 -0.00001 0.00002 0.00003 0.00003 113 3PY 0.00006 0.00002 0.00005 -0.00001 0.00005 114 3PZ 0.00004 0.00000 0.00006 0.00001 0.00003 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 -0.00007 -0.00000 122 2S -0.00026 0.00007 0.00001 0.00141 0.00000 123 2PX -0.00041 0.00049 -0.00001 0.00184 0.00001 124 2PY 0.00000 -0.00001 0.00069 0.00002 0.00044 125 2PZ -0.00028 -0.00034 0.00002 0.00016 -0.00001 126 3S -0.00141 0.00027 0.00002 0.00094 0.00001 127 3PX -0.00101 0.00070 -0.00000 0.00026 0.00000 128 3PY -0.00001 0.00000 0.00047 -0.00000 0.00023 129 3PZ -0.00058 -0.00056 0.00000 -0.00003 0.00000 130 4XX -0.00002 -0.00006 0.00001 -0.00006 -0.00001 131 4YY 0.00001 0.00001 0.00000 -0.00000 0.00000 132 4ZZ 0.00001 0.00000 -0.00000 -0.00001 0.00000 133 4XY 0.00000 -0.00000 -0.00002 -0.00000 -0.00003 134 4XZ -0.00000 -0.00000 -0.00001 0.00006 -0.00000 135 4YZ 0.00000 0.00000 -0.00002 0.00000 -0.00003 136 10 H 1S 0.00000 0.00004 0.00001 0.00002 0.00003 137 2S 0.00016 0.00040 0.00002 -0.00004 0.00018 138 11 H 1S -0.00000 -0.00001 0.00001 -0.00001 0.00000 139 2S -0.00007 -0.00020 0.00006 -0.00007 -0.00000 140 12 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 141 2S -0.00000 0.00000 -0.00001 -0.00000 -0.00000 142 13 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 143 2S -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 147 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 148 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 149 2PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 150 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 151 3S -0.00001 0.00000 -0.00000 -0.00000 -0.00000 152 3PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 153 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 154 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 155 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 158 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 159 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 160 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 161 16 O 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 162 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 164 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 165 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 166 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 168 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 171 4YY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 172 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 173 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 174 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 175 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 176 17 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 177 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 178 2PX -0.00000 -0.00000 0.00001 -0.00000 -0.00000 179 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 180 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 181 3S -0.00006 -0.00002 0.00002 -0.00001 -0.00000 182 3PX -0.00011 0.00001 0.00001 -0.00001 -0.00000 183 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 -0.00000 0.00000 -0.00002 0.00000 185 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 188 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 189 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 190 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 191 18 O 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 192 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 193 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 194 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 197 3PX 0.00000 0.00001 0.00000 0.00000 -0.00000 198 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 200 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 201 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 202 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 203 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 204 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 205 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 206 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 208 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 209 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 210 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 211 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 212 3PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 213 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 214 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 215 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 216 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 217 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 218 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 220 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 221 20 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 222 2S -0.00001 -0.00001 0.00000 -0.00000 -0.00001 223 21 H 1S -0.00000 0.00003 0.00001 0.00004 0.00001 224 2S 0.00002 0.00034 0.00002 0.00008 0.00006 225 22 H 1S 0.00380 -0.00072 0.00049 0.00012 0.00244 226 2S 0.00407 -0.00097 0.00011 0.00003 0.00053 227 23 H 1S -0.00001 0.00004 -0.00000 0.00000 0.00001 228 2S -0.00037 0.00041 -0.00001 -0.00000 -0.00005 229 24 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 230 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 231 25 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 233 26 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 234 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 61 62 63 64 65 61 5 C 1S 2.05367 62 2S -0.01152 0.30682 63 2PX 0.00000 0.00000 0.39204 64 2PY 0.00000 0.00000 -0.00000 0.40396 65 2PZ 0.00000 0.00000 -0.00000 0.00000 0.39743 66 3S -0.04278 0.26815 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.11173 0.00000 -0.00000 68 3PY 0.00000 0.00000 -0.00000 0.10145 0.00000 69 3PZ 0.00000 0.00000 -0.00000 0.00000 0.11269 70 4XX -0.00118 -0.00384 0.00000 0.00000 0.00000 71 4YY -0.00127 -0.00227 0.00000 0.00000 0.00000 72 4ZZ -0.00120 -0.00308 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 -0.00016 -0.00005 -0.00094 -0.00016 77 2S -0.00016 0.00401 0.00104 0.01872 0.00328 78 2PX -0.00003 0.00067 0.00052 0.00278 0.00055 79 2PY -0.00092 0.01855 0.00416 0.05174 0.01525 80 2PZ -0.00019 0.00373 0.00065 0.01180 -0.00066 81 3S 0.00095 0.00126 0.00152 0.02371 0.00283 82 3PX 0.00005 0.00008 -0.00039 0.00108 0.00021 83 3PY -0.00015 0.00748 0.00379 0.01588 0.01257 84 3PZ -0.00008 0.00331 0.00037 0.00543 -0.00302 85 4XX 0.00000 -0.00023 0.00002 -0.00059 -0.00007 86 4YY -0.00008 0.00171 0.00029 0.00040 0.00123 87 4ZZ 0.00000 -0.00022 -0.00003 -0.00026 -0.00005 88 4XY -0.00001 0.00019 0.00057 0.00050 0.00016 89 4XZ -0.00000 0.00004 0.00008 0.00017 0.00000 90 4YZ -0.00004 0.00075 0.00014 0.00150 0.00005 91 7 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00003 -0.00008 -0.00010 -0.00000 93 2PX 0.00000 -0.00008 -0.00010 -0.00024 -0.00000 94 2PY 0.00000 -0.00008 -0.00012 -0.00019 -0.00001 95 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00001 -0.00037 0.00030 -0.00122 0.00003 97 3PX 0.00004 -0.00105 -0.00081 -0.00236 0.00002 98 3PY 0.00004 -0.00085 0.00072 -0.00087 -0.00012 99 3PZ -0.00000 0.00004 0.00008 0.00011 -0.00010 100 4XX -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 101 4YY -0.00000 0.00001 0.00001 0.00003 0.00000 102 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 103 4XY -0.00000 0.00001 0.00002 0.00005 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 -0.00001 -0.00000 0.00000 108 2PX 0.00000 -0.00001 -0.00004 -0.00001 -0.00000 109 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 110 2PZ 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 111 3S 0.00001 -0.00026 -0.00114 -0.00005 0.00006 112 3PX 0.00001 -0.00028 -0.00112 -0.00008 0.00001 113 3PY 0.00000 0.00001 -0.00006 -0.00002 0.00001 114 3PZ 0.00000 -0.00001 -0.00015 -0.00004 0.00003 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 -0.00004 -0.00017 -0.00002 -0.00000 123 2PX 0.00000 -0.00021 -0.00055 -0.00007 0.00000 124 2PY 0.00000 -0.00000 -0.00002 -0.00000 0.00000 125 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 126 3S 0.00007 -0.00124 -0.00226 -0.00031 -0.00000 127 3PX 0.00019 -0.00252 -0.00419 -0.00046 0.00001 128 3PY -0.00001 0.00010 0.00016 -0.00018 0.00000 129 3PZ -0.00000 -0.00000 -0.00001 0.00000 -0.00014 130 4XX -0.00000 0.00002 0.00012 0.00001 -0.00000 131 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 132 4ZZ 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 133 4XY -0.00000 0.00000 0.00002 -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 H 1S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 137 2S 0.00001 -0.00022 -0.00057 0.00001 0.00013 138 11 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 139 2S -0.00000 0.00011 0.00033 0.00004 0.00002 140 12 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 -0.00000 0.00001 0.00000 0.00000 142 13 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 143 2S -0.00000 0.00005 0.00010 -0.00001 -0.00007 144 14 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00000 0.00006 0.00008 0.00026 0.00001 146 15 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 -0.00007 -0.00006 -0.00037 0.00000 148 2PX 0.00000 -0.00005 0.00000 -0.00024 -0.00000 149 2PY 0.00000 -0.00023 -0.00012 -0.00065 -0.00000 150 2PZ -0.00000 0.00000 0.00000 0.00001 -0.00003 151 3S 0.00005 -0.00146 -0.00021 -0.00522 0.00001 152 3PX 0.00002 -0.00063 0.00022 -0.00146 0.00006 153 3PY 0.00008 -0.00140 -0.00064 0.00071 0.00005 154 3PZ 0.00000 0.00000 0.00004 0.00010 -0.00006 155 4XX -0.00000 0.00000 0.00000 -0.00002 -0.00000 156 4YY -0.00000 0.00002 -0.00002 0.00019 0.00000 157 4ZZ 0.00000 -0.00000 0.00000 -0.00001 0.00000 158 4XY -0.00000 0.00001 0.00000 0.00006 0.00000 159 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 160 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 161 16 O 1S -0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 -0.00002 -0.00007 -0.00004 -0.00001 163 2PX 0.00000 -0.00008 -0.00019 -0.00015 -0.00004 164 2PY 0.00000 -0.00005 -0.00026 -0.00005 -0.00003 165 2PZ 0.00000 -0.00000 -0.00002 -0.00000 -0.00000 166 3S 0.00001 -0.00034 -0.00248 -0.00037 -0.00028 167 3PX 0.00007 -0.00186 -0.00297 -0.00200 -0.00070 168 3PY 0.00007 -0.00139 -0.00447 -0.00062 -0.00049 169 3PZ 0.00001 -0.00012 -0.00038 -0.00002 -0.00010 170 4XX 0.00000 -0.00001 0.00000 -0.00002 0.00000 171 4YY -0.00000 0.00000 0.00003 -0.00000 0.00000 172 4ZZ -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 173 4XY -0.00000 0.00001 0.00006 0.00003 0.00001 174 4XZ 0.00000 -0.00000 -0.00001 0.00000 0.00000 175 4YZ -0.00000 0.00000 0.00001 0.00000 -0.00000 176 17 C 1S 0.00000 -0.00021 -0.00116 -0.00003 -0.00046 177 2S -0.00023 0.00618 0.02386 0.00058 0.01001 178 2PX -0.00089 0.01641 0.03499 0.00160 0.02432 179 2PY -0.00002 0.00045 0.00165 0.00086 0.00033 180 2PZ -0.00031 0.00541 0.02240 0.00026 0.00107 181 3S 0.00057 0.00153 0.02778 -0.00019 0.01043 182 3PX 0.00121 -0.00227 0.00219 0.00041 0.00368 183 3PY 0.00004 -0.00037 -0.00061 0.00283 0.00001 184 3PZ 0.00038 -0.00073 0.00432 0.00033 -0.00097 185 4XX -0.00009 0.00192 0.00056 0.00019 0.00253 186 4YY 0.00000 -0.00054 -0.00151 0.00003 -0.00054 187 4ZZ -0.00001 0.00016 0.00092 -0.00000 -0.00027 188 4XY -0.00000 0.00003 -0.00007 0.00099 -0.00001 189 4XZ -0.00008 0.00127 0.00202 0.00015 0.00002 190 4YZ -0.00001 0.00011 0.00038 0.00030 0.00003 191 18 O 1S -0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00001 -0.00003 -0.00000 -0.00002 193 2PX 0.00000 -0.00004 -0.00014 0.00000 -0.00015 194 2PY -0.00000 0.00000 0.00002 -0.00000 -0.00000 195 2PZ 0.00000 -0.00002 -0.00013 -0.00001 -0.00001 196 3S 0.00001 -0.00016 -0.00063 -0.00032 -0.00053 197 3PX 0.00007 -0.00149 -0.00259 -0.00004 -0.00350 198 3PY -0.00001 0.00020 0.00056 -0.00001 0.00011 199 3PZ 0.00003 -0.00073 -0.00264 -0.00036 -0.00013 200 4XX -0.00000 0.00000 0.00001 0.00000 0.00001 201 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 202 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 204 4XZ 0.00000 -0.00000 0.00001 0.00000 0.00001 205 4YZ 0.00000 -0.00000 -0.00001 -0.00000 0.00000 206 19 O 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 207 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 208 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 209 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 210 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 211 3S 0.00000 -0.00000 -0.00000 0.00002 0.00000 212 3PX -0.00000 0.00000 -0.00000 0.00002 0.00000 213 3PY -0.00000 0.00001 -0.00001 0.00007 0.00000 214 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 215 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 216 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 217 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 219 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 220 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 221 20 H 1S 0.00000 -0.00011 -0.00001 -0.00014 -0.00029 222 2S 0.00013 -0.00195 -0.00012 -0.00214 -0.00386 223 21 H 1S -0.00152 0.02590 0.00292 0.04287 0.04759 224 2S -0.00053 0.00775 0.00184 0.02644 0.02991 225 22 H 1S 0.00000 -0.00010 -0.00011 -0.00019 -0.00015 226 2S 0.00014 -0.00219 -0.00092 -0.00306 -0.00314 227 23 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 228 2S -0.00000 0.00010 0.00011 -0.00001 0.00026 229 24 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 230 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 231 25 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 233 26 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 234 2S -0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 3S 0.53588 67 3PX 0.00000 0.11445 68 3PY 0.00000 -0.00000 0.10186 69 3PZ 0.00000 -0.00000 0.00000 0.11193 70 4XX -0.00243 0.00000 0.00000 0.00000 0.00140 71 4YY -0.00279 0.00000 0.00000 0.00000 -0.00018 72 4ZZ -0.00327 0.00000 0.00000 0.00000 -0.00005 73 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 74 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 76 6 C 1S 0.00095 -0.00007 -0.00013 0.00002 0.00000 77 2S 0.00119 0.00081 0.01018 -0.00002 -0.00024 78 2PX 0.00057 0.00053 0.00040 -0.00006 0.00002 79 2PY 0.02171 0.00297 0.01894 0.01031 -0.00069 80 2PZ 0.00543 0.00012 0.00345 -0.00116 -0.00016 81 3S -0.05225 0.00215 -0.01022 -0.00325 -0.00109 82 3PX -0.00281 -0.00049 -0.00123 -0.00007 -0.00009 83 3PY -0.00841 0.00356 0.00314 0.01103 -0.00157 84 3PZ -0.00080 0.00023 -0.00137 -0.00216 -0.00038 85 4XX -0.00088 -0.00014 -0.00125 -0.00013 0.00001 86 4YY 0.00320 0.00020 0.00056 0.00104 -0.00004 87 4ZZ -0.00072 0.00001 0.00008 -0.00035 0.00001 88 4XY 0.00015 0.00043 0.00011 0.00006 -0.00000 89 4XZ 0.00004 0.00005 0.00004 0.00001 0.00000 90 4YZ 0.00053 0.00004 0.00024 0.00017 -0.00000 91 7 C 1S -0.00001 0.00000 0.00004 -0.00000 -0.00000 92 2S -0.00099 -0.00127 -0.00150 0.00001 0.00000 93 2PX -0.00074 -0.00056 -0.00146 -0.00001 0.00001 94 2PY -0.00295 -0.00198 -0.00232 -0.00013 0.00000 95 2PZ -0.00005 0.00006 -0.00008 0.00001 0.00000 96 3S -0.00326 -0.00005 -0.00327 0.00027 0.00003 97 3PX 0.00020 -0.00128 -0.00177 0.00013 0.00014 98 3PY -0.00500 -0.00052 -0.00198 -0.00032 0.00012 99 3PZ 0.00005 0.00019 0.00010 -0.00064 0.00000 100 4XX -0.00004 -0.00007 -0.00014 -0.00001 -0.00000 101 4YY 0.00019 0.00011 0.00030 0.00002 -0.00000 102 4ZZ -0.00001 -0.00001 -0.00007 -0.00000 0.00000 103 4XY 0.00010 0.00009 0.00017 0.00001 -0.00000 104 4XZ -0.00000 -0.00000 0.00001 -0.00003 -0.00000 105 4YZ 0.00001 0.00000 0.00000 -0.00001 -0.00000 106 8 C 1S 0.00001 0.00003 0.00000 -0.00000 0.00000 107 2S -0.00032 -0.00077 -0.00006 0.00001 -0.00000 108 2PX -0.00072 -0.00118 -0.00042 -0.00005 -0.00000 109 2PY 0.00005 -0.00005 -0.00002 0.00006 -0.00000 110 2PZ -0.00021 -0.00026 -0.00000 -0.00008 -0.00000 111 3S -0.00182 -0.00605 -0.00021 0.00013 -0.00003 112 3PX -0.00209 -0.00354 -0.00081 -0.00017 -0.00004 113 3PY -0.00004 -0.00015 0.00001 0.00011 -0.00002 114 3PZ -0.00042 -0.00066 -0.00008 -0.00001 -0.00001 115 4XX -0.00005 0.00000 0.00001 0.00001 0.00000 116 4YY -0.00000 0.00000 0.00001 0.00001 -0.00000 117 4ZZ 0.00003 0.00003 -0.00001 -0.00001 0.00000 118 4XY -0.00001 0.00001 -0.00000 0.00001 0.00000 119 4XZ -0.00001 -0.00001 -0.00000 0.00000 0.00000 120 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 121 9 C 1S 0.00006 0.00014 0.00001 0.00000 -0.00000 122 2S -0.00107 -0.00110 -0.00020 0.00000 0.00002 123 2PX -0.00339 -0.00215 -0.00064 0.00002 0.00015 124 2PY -0.00003 -0.00047 -0.00006 0.00000 0.00000 125 2PZ 0.00001 -0.00000 0.00000 0.00009 0.00000 126 3S -0.00550 -0.00268 -0.00084 0.00001 0.00026 127 3PX -0.00932 -0.00434 -0.00085 0.00004 0.00081 128 3PY 0.00052 -0.00009 -0.00040 0.00001 0.00002 129 3PZ 0.00001 -0.00002 0.00001 -0.00027 0.00000 130 4XX 0.00028 0.00077 0.00008 -0.00000 0.00000 131 4YY -0.00007 -0.00014 -0.00000 0.00000 -0.00000 132 4ZZ -0.00002 -0.00019 -0.00002 0.00000 -0.00000 133 4XY 0.00003 0.00005 -0.00002 -0.00000 -0.00000 134 4XZ -0.00000 -0.00000 -0.00000 -0.00004 0.00000 135 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 136 10 H 1S -0.00051 -0.00014 -0.00030 0.00000 -0.00000 137 2S -0.00237 -0.00128 -0.00055 0.00036 -0.00004 138 11 H 1S 0.00008 0.00013 0.00003 0.00003 -0.00000 139 2S 0.00137 0.00211 0.00040 0.00029 -0.00002 140 12 H 1S -0.00000 0.00000 0.00001 0.00000 0.00000 141 2S -0.00004 0.00015 0.00011 0.00001 0.00000 142 13 H 1S 0.00008 0.00007 -0.00001 -0.00007 0.00000 143 2S 0.00133 0.00099 -0.00018 -0.00070 0.00001 144 14 H 1S 0.00008 0.00005 0.00018 0.00002 -0.00000 145 2S 0.00145 0.00064 0.00253 0.00017 -0.00000 146 15 C 1S -0.00000 -0.00001 0.00017 0.00000 0.00000 147 2S -0.00127 -0.00042 -0.00465 -0.00005 -0.00000 148 2PX -0.00023 -0.00002 -0.00200 -0.00005 -0.00000 149 2PY -0.00375 -0.00023 -0.00564 -0.00017 -0.00001 150 2PZ -0.00004 0.00000 0.00005 -0.00014 0.00000 151 3S -0.00433 0.00038 -0.01303 -0.00012 -0.00006 152 3PX 0.00075 0.00091 -0.00012 0.00008 -0.00001 153 3PY -0.00198 -0.00075 0.00132 0.00009 -0.00009 154 3PZ -0.00020 0.00007 -0.00001 0.00048 0.00000 155 4XX 0.00006 0.00010 -0.00029 -0.00002 0.00000 156 4YY -0.00010 -0.00026 0.00089 0.00005 -0.00000 157 4ZZ 0.00002 -0.00001 -0.00013 -0.00001 -0.00000 158 4XY -0.00010 -0.00001 -0.00019 -0.00001 -0.00000 159 4XZ -0.00000 0.00000 0.00000 -0.00003 -0.00000 160 4YZ 0.00002 -0.00001 0.00002 -0.00003 0.00000 161 16 O 1S 0.00000 0.00003 -0.00001 0.00001 -0.00000 162 2S -0.00035 -0.00069 0.00007 -0.00019 0.00000 163 2PX -0.00280 -0.00307 -0.00080 -0.00050 0.00000 164 2PY -0.00349 -0.00370 -0.00052 -0.00078 0.00001 165 2PZ -0.00040 0.00015 0.00014 0.00036 0.00000 166 3S -0.00108 -0.00659 0.00024 -0.00125 0.00002 167 3PX -0.01082 -0.00841 -0.00201 -0.00170 0.00001 168 3PY -0.01680 -0.01225 -0.00165 -0.00237 0.00008 169 3PZ -0.00149 0.00038 0.00070 0.00202 0.00006 170 4XX -0.00017 -0.00019 -0.00014 0.00005 -0.00000 171 4YY -0.00001 0.00013 0.00002 0.00001 0.00000 172 4ZZ 0.00003 0.00014 -0.00008 -0.00001 -0.00000 173 4XY -0.00013 -0.00003 0.00005 -0.00002 0.00000 174 4XZ -0.00004 0.00001 0.00000 0.00003 0.00000 175 4YZ -0.00002 0.00004 0.00000 0.00001 0.00000 176 17 C 1S 0.00059 -0.00069 -0.00000 -0.00064 -0.00008 177 2S 0.00200 0.01271 0.00073 0.00794 0.00187 178 2PX 0.02619 0.01004 0.00134 0.01131 0.00064 179 2PY -0.00004 0.00109 0.00500 0.00059 0.00014 180 2PZ 0.00965 0.01520 0.00080 -0.00290 0.00149 181 3S -0.01205 0.02157 0.00023 0.00824 0.00233 182 3PX -0.03242 0.00006 -0.00079 -0.00340 0.00042 183 3PY -0.00224 -0.00081 0.00567 -0.00002 0.00010 184 3PZ -0.00909 0.00097 0.00003 -0.00218 0.00123 185 4XX 0.00722 0.00174 0.00038 0.00277 0.00001 186 4YY -0.00489 -0.00411 -0.00019 -0.00122 -0.00001 187 4ZZ 0.00136 0.00231 0.00006 -0.00082 -0.00014 188 4XY -0.00008 -0.00001 0.00063 -0.00006 -0.00001 189 4XZ 0.00147 0.00033 0.00007 -0.00012 -0.00001 190 4YZ 0.00019 0.00013 0.00000 -0.00004 -0.00000 191 18 O 1S 0.00001 -0.00002 -0.00000 0.00001 -0.00000 192 2S -0.00035 0.00008 0.00013 -0.00006 0.00000 193 2PX -0.00588 -0.00322 0.00122 -0.00426 -0.00000 194 2PY 0.00076 0.00040 0.00025 0.00005 -0.00000 195 2PZ -0.00193 -0.00300 0.00026 0.00045 0.00001 196 3S -0.00091 0.00092 -0.00039 -0.00083 -0.00000 197 3PX -0.02669 -0.00859 0.00370 -0.01485 -0.00013 198 3PY 0.00391 0.00187 0.00164 0.00032 -0.00002 199 3PZ -0.00781 -0.00984 0.00047 0.00110 0.00021 200 4XX -0.00022 -0.00004 0.00008 -0.00016 -0.00000 201 4YY 0.00020 0.00001 -0.00001 -0.00004 -0.00000 202 4ZZ -0.00009 -0.00011 0.00002 0.00015 0.00000 203 4XY -0.00007 -0.00003 -0.00002 -0.00006 -0.00000 204 4XZ -0.00024 -0.00010 0.00006 -0.00003 0.00000 205 4YZ -0.00001 -0.00004 -0.00000 0.00001 0.00000 206 19 O 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 207 2S 0.00000 -0.00001 0.00003 0.00000 -0.00000 208 2PX 0.00004 -0.00000 0.00010 0.00000 0.00000 209 2PY 0.00003 -0.00001 0.00013 0.00001 0.00000 210 2PZ -0.00001 0.00000 -0.00001 0.00000 0.00000 211 3S -0.00001 -0.00009 0.00055 0.00002 -0.00000 212 3PX 0.00051 -0.00001 0.00100 0.00001 0.00000 213 3PY 0.00030 -0.00015 0.00124 0.00007 0.00000 214 3PZ -0.00009 0.00000 -0.00013 0.00002 0.00000 215 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 216 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 217 4ZZ -0.00000 0.00000 -0.00001 -0.00000 -0.00000 218 4XY 0.00001 -0.00000 0.00001 -0.00000 -0.00000 219 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 220 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 221 20 H 1S -0.00241 0.00005 -0.00030 -0.00219 0.00000 222 2S -0.00646 0.00008 -0.00082 -0.00676 0.00016 223 21 H 1S 0.02999 0.00322 0.02748 0.03604 -0.00081 224 2S -0.00910 0.00305 0.02568 0.03403 -0.00181 225 22 H 1S -0.00252 -0.00192 -0.00058 -0.00062 -0.00001 226 2S -0.01418 -0.00328 -0.00181 -0.00571 -0.00031 227 23 H 1S 0.00005 0.00012 -0.00002 0.00005 0.00000 228 2S 0.00077 0.00116 -0.00018 0.00111 0.00001 229 24 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 230 2S 0.00006 0.00001 -0.00005 0.00005 0.00000 231 25 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 232 2S -0.00002 -0.00002 0.00001 -0.00001 -0.00000 233 26 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 234 2S 0.00000 0.00001 0.00000 -0.00001 0.00000 71 72 73 74 75 71 4YY 0.00118 72 4ZZ -0.00000 0.00086 73 4XY 0.00000 0.00000 0.00070 74 4XZ -0.00000 -0.00000 0.00000 0.00113 75 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00140 76 6 C 1S -0.00008 0.00000 -0.00001 -0.00000 -0.00004 77 2S 0.00172 -0.00021 0.00016 0.00004 0.00077 78 2PX 0.00030 0.00001 0.00060 0.00014 0.00010 79 2PY 0.00101 -0.00033 0.00020 0.00010 0.00144 80 2PZ 0.00131 -0.00006 0.00010 0.00000 0.00004 81 3S 0.00340 -0.00069 0.00008 0.00003 0.00056 82 3PX 0.00022 0.00004 0.00048 0.00012 0.00004 83 3PY 0.00118 -0.00001 0.00004 0.00000 0.00025 84 3PZ 0.00106 -0.00042 0.00003 0.00001 0.00019 85 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00003 86 4YY 0.00004 -0.00001 0.00002 -0.00002 -0.00006 87 4ZZ -0.00009 0.00001 -0.00001 0.00000 0.00000 88 4XY -0.00001 -0.00001 -0.00003 -0.00003 -0.00000 89 4XZ 0.00001 -0.00000 0.00002 -0.00000 0.00000 90 4YZ -0.00002 -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 0.00001 0.00000 -0.00000 93 2PX 0.00001 -0.00000 0.00004 0.00000 -0.00000 94 2PY 0.00000 -0.00000 0.00003 0.00000 -0.00000 95 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 96 3S 0.00001 0.00000 0.00003 -0.00000 -0.00000 97 3PX -0.00003 -0.00005 0.00010 0.00000 -0.00001 98 3PY -0.00004 -0.00004 0.00005 0.00000 -0.00000 99 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -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 0.00001 0.00001 -0.00000 0.00000 -0.00000 112 3PX 0.00000 0.00002 -0.00001 0.00000 -0.00000 113 3PY 0.00000 0.00000 -0.00000 0.00001 -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 -0.00001 0.00002 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 -0.00005 -0.00004 0.00003 0.00000 0.00000 127 3PX -0.00006 -0.00022 0.00006 0.00000 0.00000 128 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 129 3PZ -0.00000 -0.00000 0.00000 -0.00002 -0.00001 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 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 137 2S 0.00001 0.00003 -0.00002 0.00000 0.00001 138 11 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 139 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 140 12 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 141 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 142 13 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 143 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 144 14 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 145 2S 0.00000 -0.00000 -0.00001 -0.00000 0.00000 146 15 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 147 2S 0.00003 -0.00000 0.00001 0.00000 -0.00000 148 2PX 0.00004 -0.00000 0.00000 0.00000 -0.00000 149 2PY 0.00009 -0.00000 0.00004 0.00000 -0.00000 150 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 151 3S 0.00011 0.00005 0.00003 0.00001 -0.00001 152 3PX 0.00006 0.00001 0.00000 -0.00000 -0.00000 153 3PY 0.00019 -0.00008 0.00009 0.00000 -0.00000 154 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 155 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 156 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 157 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00001 -0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 160 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 161 16 O 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 162 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 163 2PX -0.00000 0.00000 0.00001 -0.00000 0.00000 164 2PY 0.00000 -0.00000 0.00001 -0.00000 0.00000 165 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00003 0.00004 -0.00009 0.00000 -0.00002 167 3PX -0.00001 0.00003 0.00007 -0.00000 0.00003 168 3PY 0.00007 0.00000 0.00009 -0.00004 -0.00000 169 3PZ -0.00003 -0.00001 0.00000 0.00001 0.00002 170 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 171 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 172 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 173 4XY -0.00000 -0.00000 0.00001 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 -0.00000 -0.00001 -0.00008 -0.00000 177 2S -0.00038 -0.00008 0.00010 0.00153 0.00003 178 2PX -0.00066 -0.00022 0.00020 0.00203 0.00010 179 2PY 0.00001 -0.00000 0.00047 0.00010 0.00013 180 2PZ -0.00023 -0.00021 0.00010 0.00012 0.00001 181 3S -0.00144 -0.00008 0.00004 0.00063 0.00003 182 3PX -0.00052 0.00048 0.00001 0.00022 0.00000 183 3PY -0.00002 -0.00001 0.00015 -0.00001 0.00006 184 3PZ -0.00024 -0.00039 0.00000 -0.00007 0.00001 185 4XX -0.00003 -0.00010 0.00002 -0.00007 -0.00001 186 4YY 0.00002 0.00001 0.00000 -0.00004 0.00000 187 4ZZ 0.00001 0.00001 -0.00001 -0.00000 0.00000 188 4XY 0.00000 0.00002 -0.00002 -0.00002 -0.00005 189 4XZ -0.00001 -0.00001 0.00000 0.00004 0.00001 190 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 191 18 O 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 195 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 196 3S 0.00003 -0.00002 -0.00001 0.00001 0.00001 197 3PX 0.00009 0.00023 0.00005 0.00013 0.00002 198 3PY -0.00000 0.00003 0.00000 0.00002 0.00001 199 3PZ 0.00001 -0.00007 0.00004 -0.00002 0.00005 200 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 201 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 202 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 203 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 204 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 206 19 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 207 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 208 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 209 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 210 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 211 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 212 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 213 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 215 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 216 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 217 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 218 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 220 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 221 20 H 1S -0.00002 0.00004 -0.00000 0.00000 0.00005 222 2S -0.00044 0.00040 -0.00001 0.00001 0.00015 223 21 H 1S 0.00055 0.00116 0.00038 0.00044 0.00369 224 2S 0.00084 0.00181 0.00009 0.00010 0.00078 225 22 H 1S 0.00002 0.00001 0.00002 0.00000 0.00004 226 2S 0.00047 0.00005 0.00003 -0.00004 0.00020 227 23 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 2S -0.00000 -0.00002 -0.00000 -0.00001 -0.00000 229 24 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 231 25 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 233 26 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 234 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 76 77 78 79 80 76 6 C 1S 2.05364 77 2S -0.01148 0.30664 78 2PX 0.00000 0.00000 0.39765 79 2PY 0.00000 0.00000 0.00000 0.39071 80 2PZ 0.00000 0.00000 0.00000 -0.00000 0.40563 81 3S -0.04275 0.26765 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.11350 -0.00000 -0.00000 83 3PY 0.00000 0.00000 0.00000 0.09736 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.11506 85 4XX -0.00118 -0.00364 0.00000 0.00000 0.00000 86 4YY -0.00108 -0.00546 0.00000 0.00000 0.00000 87 4ZZ -0.00137 -0.00003 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 -0.00015 -0.00087 -0.00012 -0.00010 92 2S -0.00015 0.00373 0.01851 0.00257 0.00220 93 2PX -0.00095 0.01978 0.04822 0.00963 0.00704 94 2PY -0.00012 0.00248 0.00875 -0.00057 0.00090 95 2PZ -0.00011 0.00261 0.00797 0.00122 -0.00080 96 3S 0.00033 0.00073 0.01530 0.00180 0.00163 97 3PX -0.00065 0.01256 0.01596 0.00520 0.00219 98 3PY -0.00019 0.00195 0.00384 -0.00130 -0.00010 99 3PZ -0.00026 0.00246 0.00485 0.00130 -0.00106 100 4XX -0.00007 0.00174 0.00098 0.00086 0.00063 101 4YY 0.00000 -0.00024 -0.00049 0.00000 0.00001 102 4ZZ 0.00000 -0.00028 -0.00057 -0.00007 0.00001 103 4XY -0.00003 0.00052 0.00102 0.00021 0.00017 104 4XZ -0.00003 0.00049 0.00082 0.00017 0.00026 105 4YZ -0.00000 0.00006 0.00017 0.00001 0.00002 106 8 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00004 -0.00018 -0.00000 -0.00000 108 2PX 0.00000 -0.00019 -0.00059 0.00002 0.00000 109 2PY 0.00000 -0.00001 -0.00004 0.00000 -0.00000 110 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00002 111 3S 0.00006 -0.00113 -0.00230 -0.00007 -0.00001 112 3PX 0.00016 -0.00209 -0.00367 0.00017 0.00000 113 3PY 0.00002 -0.00029 -0.00086 0.00015 0.00000 114 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00045 115 4XX -0.00000 0.00002 0.00015 -0.00000 -0.00000 116 4YY 0.00000 -0.00000 -0.00001 0.00000 0.00000 117 4ZZ 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 118 4XY -0.00000 -0.00000 0.00001 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 -0.00001 -0.00000 -0.00000 123 2PX 0.00000 -0.00001 -0.00001 -0.00002 -0.00000 124 2PY 0.00000 -0.00000 -0.00002 -0.00000 -0.00000 125 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 126 3S 0.00001 -0.00028 -0.00084 -0.00019 -0.00011 127 3PX 0.00001 -0.00018 -0.00035 -0.00036 -0.00006 128 3PY 0.00001 -0.00011 -0.00054 -0.00018 -0.00004 129 3PZ -0.00000 0.00001 -0.00001 0.00009 -0.00002 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 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 137 2S -0.00000 0.00005 0.00009 -0.00007 -0.00000 138 11 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 139 2S -0.00000 -0.00000 0.00000 0.00001 0.00000 140 12 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 141 2S -0.00000 0.00011 0.00038 -0.00000 0.00000 142 13 H 1S 0.00000 -0.00000 -0.00002 0.00000 -0.00000 143 2S 0.00001 -0.00023 -0.00063 0.00001 0.00018 144 14 H 1S 0.00000 -0.00010 -0.00027 -0.00018 0.00000 145 2S 0.00014 -0.00223 -0.00319 -0.00395 -0.00002 146 15 C 1S 0.00000 -0.00021 -0.00090 -0.00056 -0.00018 147 2S -0.00023 0.00614 0.01858 0.01187 0.00396 148 2PX -0.00071 0.01312 0.01898 0.02149 0.00817 149 2PY -0.00038 0.00687 0.01998 0.00380 0.00374 150 2PZ -0.00012 0.00219 0.00752 0.00365 0.00017 151 3S 0.00057 0.00176 0.02021 0.01505 0.00278 152 3PX 0.00100 -0.00240 0.00036 0.00276 0.00119 153 3PY 0.00049 -0.00047 0.00632 -0.00043 0.00143 154 3PZ 0.00017 -0.00074 0.00018 0.00062 -0.00004 155 4XX -0.00004 0.00089 -0.00084 0.00138 0.00044 156 4YY 0.00000 -0.00018 -0.00019 -0.00066 -0.00000 157 4ZZ 0.00000 -0.00011 -0.00009 0.00000 0.00000 158 4XY -0.00011 0.00174 0.00228 0.00055 0.00100 159 4XZ -0.00001 0.00021 -0.00003 0.00024 0.00027 160 4YZ -0.00003 0.00040 0.00112 0.00016 0.00008 161 16 O 1S -0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 -0.00002 -0.00009 -0.00000 -0.00002 163 2PX 0.00000 -0.00011 -0.00039 -0.00001 -0.00016 164 2PY -0.00000 0.00000 0.00000 -0.00001 0.00000 165 2PZ 0.00000 -0.00003 -0.00017 -0.00000 -0.00001 166 3S 0.00001 -0.00033 -0.00270 -0.00005 -0.00037 167 3PX 0.00011 -0.00264 -0.00606 -0.00010 -0.00240 168 3PY -0.00000 0.00001 0.00004 -0.00024 0.00001 169 3PZ 0.00004 -0.00075 -0.00292 -0.00003 -0.00004 170 4XX -0.00000 -0.00001 0.00004 0.00000 0.00001 171 4YY 0.00000 -0.00000 -0.00001 0.00000 -0.00000 172 4ZZ -0.00000 0.00000 0.00001 0.00000 -0.00000 173 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 174 4XZ -0.00000 0.00000 0.00005 0.00000 0.00001 175 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 176 17 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 -0.00007 -0.00020 -0.00009 -0.00015 178 2PX 0.00000 -0.00014 -0.00013 -0.00019 -0.00022 179 2PY 0.00000 -0.00004 -0.00007 0.00004 -0.00006 180 2PZ 0.00000 -0.00010 -0.00020 -0.00013 -0.00007 181 3S 0.00005 -0.00148 -0.00160 -0.00160 -0.00226 182 3PX 0.00006 -0.00132 -0.00102 0.00051 -0.00162 183 3PY 0.00001 -0.00008 0.00092 0.00007 0.00075 184 3PZ 0.00002 -0.00044 -0.00101 0.00020 0.00004 185 4XX -0.00000 0.00001 0.00002 -0.00000 0.00001 186 4YY 0.00000 -0.00000 -0.00001 0.00000 -0.00000 187 4ZZ -0.00000 0.00000 0.00000 0.00001 0.00000 188 4XY -0.00000 0.00001 0.00001 0.00004 0.00002 189 4XZ -0.00000 0.00001 0.00002 0.00002 0.00002 190 4YZ -0.00000 0.00000 0.00000 0.00003 0.00001 191 18 O 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 192 2S -0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 195 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00001 0.00001 197 3PX -0.00000 0.00001 0.00001 0.00002 0.00002 198 3PY 0.00000 -0.00000 -0.00001 -0.00000 0.00000 199 3PZ -0.00000 0.00000 0.00001 0.00003 0.00001 200 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 201 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 202 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 203 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 204 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 205 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 206 19 O 1S -0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 -0.00001 -0.00001 -0.00004 -0.00000 208 2PX 0.00000 -0.00003 -0.00004 -0.00013 -0.00001 209 2PY 0.00000 -0.00003 -0.00008 -0.00013 -0.00001 210 2PZ 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 211 3S 0.00001 -0.00020 -0.00009 -0.00149 0.00006 212 3PX 0.00004 -0.00100 -0.00057 -0.00304 -0.00033 213 3PY 0.00004 -0.00087 -0.00124 -0.00253 -0.00001 214 3PZ 0.00001 -0.00016 -0.00033 -0.00035 -0.00023 215 4XX -0.00000 0.00000 -0.00000 0.00001 -0.00000 216 4YY 0.00000 -0.00001 -0.00001 0.00001 -0.00000 217 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 218 4XY -0.00000 0.00000 0.00001 0.00001 0.00000 219 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 220 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 221 20 H 1S -0.00153 0.02594 0.00009 0.00003 0.09324 222 2S -0.00056 0.00773 0.00007 0.00002 0.05798 223 21 H 1S 0.00000 -0.00011 -0.00001 -0.00041 -0.00001 224 2S 0.00013 -0.00194 -0.00023 -0.00580 -0.00008 225 22 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 226 2S -0.00000 0.00006 0.00000 0.00026 0.00010 227 23 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 228 2S 0.00000 -0.00001 -0.00000 0.00000 -0.00002 229 24 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 230 2S -0.00000 0.00002 0.00000 0.00000 0.00000 231 25 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 26 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 81 82 83 84 85 81 3S 0.53557 82 3PX 0.00000 0.12023 83 3PY 0.00000 -0.00000 0.09321 84 3PZ 0.00000 0.00000 0.00000 0.11634 85 4XX -0.00225 0.00000 0.00000 0.00000 0.00132 86 4YY -0.00589 0.00000 0.00000 0.00000 -0.00000 87 4ZZ -0.00031 0.00000 0.00000 0.00000 -0.00022 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 0.00066 -0.00060 -0.00025 -0.00012 -0.00006 92 2S 0.00475 0.01385 0.00224 0.00344 0.00155 93 2PX 0.02505 0.01805 0.00608 0.00582 -0.00037 94 2PY 0.00429 0.00687 0.00153 0.00065 0.00080 95 2PZ 0.00272 0.00730 0.00113 -0.00029 0.00077 96 3S -0.01483 0.00230 0.00088 0.00214 0.00183 97 3PX -0.00023 0.00394 0.00387 0.00083 -0.00028 98 3PY 0.00185 0.00342 -0.00007 0.00001 0.00038 99 3PZ 0.00482 0.00517 0.00117 -0.00221 0.00062 100 4XX 0.00351 0.00117 0.00062 0.00054 0.00003 101 4YY -0.00127 -0.00068 -0.00019 -0.00013 0.00000 102 4ZZ -0.00103 -0.00118 -0.00018 -0.00027 -0.00006 103 4XY 0.00027 0.00015 0.00017 0.00005 -0.00006 104 4XZ 0.00032 0.00013 0.00006 0.00034 -0.00002 105 4YZ 0.00003 0.00008 0.00005 0.00003 0.00001 106 8 C 1S 0.00005 0.00013 0.00001 0.00000 -0.00000 107 2S -0.00098 -0.00132 0.00014 -0.00000 0.00002 108 2PX -0.00335 -0.00363 0.00092 0.00001 0.00013 109 2PY 0.00009 0.00004 0.00011 -0.00000 0.00002 110 2PZ 0.00001 -0.00000 -0.00000 -0.00044 0.00000 111 3S -0.00452 -0.00317 0.00056 -0.00001 0.00025 112 3PX -0.00783 -0.00497 0.00158 0.00002 0.00068 113 3PY -0.00071 -0.00075 0.00082 0.00000 0.00009 114 3PZ 0.00003 0.00000 -0.00000 -0.00194 0.00000 115 4XX 0.00035 0.00098 -0.00006 -0.00000 0.00000 116 4YY -0.00004 -0.00023 0.00001 0.00000 0.00000 117 4ZZ -0.00008 -0.00019 0.00001 -0.00000 -0.00000 118 4XY -0.00001 0.00001 -0.00002 -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 0.00001 0.00002 0.00001 0.00000 0.00000 122 2S -0.00031 -0.00050 -0.00026 -0.00005 -0.00000 123 2PX -0.00044 -0.00019 -0.00091 -0.00009 0.00000 124 2PY -0.00058 -0.00069 0.00007 -0.00018 -0.00000 125 2PZ 0.00014 0.00009 0.00003 0.00000 0.00000 126 3S -0.00193 -0.00427 -0.00140 -0.00032 -0.00002 127 3PX -0.00099 -0.00080 -0.00213 -0.00014 0.00000 128 3PY -0.00182 -0.00185 -0.00036 -0.00043 -0.00004 129 3PZ 0.00022 0.00018 0.00014 0.00012 -0.00000 130 4XX -0.00001 0.00000 -0.00001 -0.00000 -0.00000 131 4YY 0.00001 -0.00000 0.00001 -0.00000 0.00000 132 4ZZ 0.00001 0.00002 0.00001 0.00000 0.00000 133 4XY -0.00003 -0.00001 0.00001 -0.00000 0.00000 134 4XZ 0.00000 0.00000 0.00001 -0.00000 0.00000 135 4YZ -0.00001 -0.00001 0.00001 -0.00000 -0.00000 136 10 H 1S 0.00008 0.00007 -0.00008 -0.00000 0.00000 137 2S 0.00127 0.00090 -0.00077 -0.00003 0.00001 138 11 H 1S -0.00000 -0.00000 0.00001 0.00000 0.00000 139 2S -0.00002 0.00001 0.00020 0.00005 0.00000 140 12 H 1S 0.00008 0.00020 -0.00001 0.00000 -0.00000 141 2S 0.00136 0.00282 -0.00007 0.00004 -0.00002 142 13 H 1S -0.00053 -0.00039 0.00007 -0.00017 -0.00000 143 2S -0.00267 -0.00216 0.00019 0.00019 -0.00007 144 14 H 1S -0.00255 -0.00319 0.00022 -0.00003 0.00000 145 2S -0.01388 -0.00681 -0.00362 -0.00019 -0.00022 146 15 C 1S 0.00061 -0.00045 -0.00062 -0.00026 -0.00004 147 2S 0.00166 0.01038 0.00699 0.00399 0.00102 148 2PX 0.01938 0.00317 0.01138 0.00396 -0.00005 149 2PY 0.01379 0.01480 -0.00135 0.00340 0.00103 150 2PZ 0.00272 0.00516 0.00332 -0.00113 0.00037 151 3S -0.01146 0.01598 0.01032 0.00294 0.00139 152 3PX -0.02909 0.00199 -0.00177 -0.00245 0.00000 153 3PY -0.00974 0.00175 0.00048 0.00034 0.00058 154 3PZ -0.00580 -0.00093 0.00087 0.00011 0.00046 155 4XX 0.00296 -0.00002 0.00113 0.00054 0.00003 156 4YY -0.00128 -0.00035 -0.00102 -0.00023 -0.00005 157 4ZZ 0.00057 0.00028 0.00025 -0.00021 -0.00004 158 4XY 0.00250 0.00029 -0.00017 0.00052 0.00000 159 4XZ 0.00005 -0.00001 0.00003 0.00033 -0.00000 160 4YZ 0.00050 0.00048 -0.00002 0.00006 -0.00006 161 16 O 1S 0.00000 0.00003 0.00000 0.00001 -0.00000 162 2S -0.00035 -0.00060 -0.00003 -0.00020 0.00000 163 2PX -0.00453 -0.00576 -0.00013 -0.00145 0.00001 164 2PY 0.00003 0.00008 -0.00006 0.00002 -0.00000 165 2PZ -0.00224 -0.00124 -0.00007 -0.00018 0.00001 166 3S -0.00103 -0.00626 -0.00021 -0.00129 -0.00004 167 3PX -0.01924 -0.01691 -0.00042 -0.00479 0.00014 168 3PY 0.00020 0.00029 0.00068 0.00007 -0.00000 169 3PZ -0.01033 -0.00456 -0.00020 0.00030 0.00022 170 4XX -0.00025 -0.00029 0.00000 0.00008 0.00000 171 4YY 0.00005 -0.00003 0.00000 -0.00004 -0.00000 172 4ZZ -0.00001 0.00028 0.00000 -0.00003 0.00000 173 4XY -0.00000 -0.00000 -0.00002 -0.00000 0.00000 174 4XZ -0.00014 0.00007 -0.00001 -0.00000 0.00001 175 4YZ -0.00000 0.00000 0.00001 -0.00000 -0.00000 176 17 C 1S -0.00000 0.00003 0.00009 0.00004 -0.00000 177 2S -0.00126 -0.00188 -0.00171 -0.00142 0.00000 178 2PX -0.00132 -0.00083 -0.00280 -0.00087 0.00001 179 2PY -0.00141 -0.00043 -0.00011 -0.00023 -0.00000 180 2PZ -0.00125 -0.00104 -0.00151 -0.00025 0.00001 181 3S -0.00422 -0.00267 -0.00545 -0.00429 0.00003 182 3PX 0.00084 -0.00061 0.00158 -0.00071 0.00000 183 3PY -0.00237 0.00101 0.00010 0.00051 0.00004 184 3PZ 0.00093 -0.00115 0.00101 0.00001 0.00005 185 4XX -0.00005 0.00009 -0.00036 -0.00006 -0.00000 186 4YY 0.00029 -0.00004 0.00020 0.00022 -0.00000 187 4ZZ -0.00023 -0.00000 0.00007 -0.00006 0.00000 188 4XY -0.00004 -0.00005 0.00004 0.00001 -0.00000 189 4XZ -0.00007 -0.00002 -0.00006 -0.00000 -0.00000 190 4YZ 0.00001 0.00003 0.00006 0.00001 0.00000 191 18 O 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 192 2S 0.00000 -0.00001 0.00003 0.00000 -0.00000 193 2PX 0.00008 0.00004 0.00010 0.00007 -0.00000 194 2PY -0.00006 -0.00002 -0.00002 -0.00006 0.00000 195 2PZ 0.00005 0.00001 0.00008 0.00002 -0.00000 196 3S 0.00000 -0.00006 0.00034 0.00016 0.00000 197 3PX 0.00099 0.00035 0.00099 0.00071 -0.00000 198 3PY -0.00083 -0.00029 -0.00018 -0.00054 0.00000 199 3PZ 0.00057 0.00008 0.00071 0.00020 -0.00000 200 4XX 0.00001 0.00000 -0.00000 0.00000 -0.00000 201 4YY -0.00001 -0.00001 -0.00001 -0.00001 0.00000 202 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00001 0.00000 0.00000 0.00000 -0.00000 205 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 206 19 O 1S 0.00001 -0.00001 -0.00001 0.00000 -0.00000 207 2S -0.00033 -0.00008 0.00038 -0.00006 0.00000 208 2PX -0.00405 -0.00076 -0.00195 -0.00077 -0.00000 209 2PY -0.00255 -0.00256 -0.00124 -0.00023 -0.00000 210 2PZ -0.00048 -0.00042 0.00014 -0.00015 0.00000 211 3S -0.00110 0.00096 -0.00098 -0.00000 0.00001 212 3PX -0.01880 -0.00072 -0.00730 -0.00262 -0.00007 213 3PY -0.00980 -0.00702 -0.00421 -0.00049 -0.00002 214 3PZ -0.00223 -0.00154 0.00031 -0.00079 0.00003 215 4XX 0.00008 0.00002 0.00007 -0.00000 -0.00000 216 4YY -0.00032 -0.00034 -0.00002 -0.00002 0.00000 217 4ZZ 0.00012 0.00006 0.00000 -0.00000 -0.00000 218 4XY -0.00028 -0.00003 -0.00003 -0.00005 -0.00000 219 4XZ 0.00001 0.00000 0.00001 -0.00000 0.00000 220 4YZ -0.00003 -0.00001 0.00003 -0.00003 0.00000 221 20 H 1S 0.03018 0.00044 0.00006 0.06610 -0.00089 222 2S -0.00856 0.00042 0.00005 0.06159 -0.00227 223 21 H 1S -0.00253 -0.00023 -0.00206 -0.00015 0.00000 224 2S -0.00669 -0.00068 -0.00640 -0.00048 0.00018 225 22 H 1S 0.00008 -0.00000 0.00021 0.00004 0.00000 226 2S 0.00146 -0.00003 0.00258 0.00084 0.00000 227 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 228 2S -0.00011 -0.00008 0.00003 -0.00008 -0.00000 229 24 H 1S 0.00000 -0.00000 -0.00001 -0.00001 0.00000 230 2S 0.00017 -0.00005 0.00001 -0.00029 -0.00000 231 25 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 232 2S -0.00001 -0.00001 0.00001 0.00007 -0.00000 233 26 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 234 2S -0.00006 -0.00007 -0.00002 -0.00002 -0.00000 86 87 88 89 90 86 4YY 0.00134 87 4ZZ -0.00019 0.00180 88 4XY 0.00000 0.00000 0.00119 89 4XZ 0.00000 -0.00000 0.00000 0.00069 90 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00066 91 7 C 1S 0.00000 0.00000 -0.00003 -0.00002 -0.00000 92 2S -0.00019 -0.00021 0.00047 0.00040 0.00006 93 2PX -0.00046 -0.00018 0.00092 0.00077 0.00021 94 2PY 0.00000 -0.00004 0.00025 0.00015 0.00000 95 2PZ 0.00002 0.00001 0.00015 0.00029 0.00003 96 3S -0.00024 -0.00053 0.00024 0.00027 0.00003 97 3PX -0.00036 -0.00008 0.00013 0.00011 0.00006 98 3PY -0.00028 0.00007 0.00032 0.00005 0.00002 99 3PZ -0.00009 -0.00027 0.00004 0.00029 0.00002 100 4XX -0.00004 -0.00004 -0.00003 -0.00002 0.00001 101 4YY 0.00001 -0.00001 -0.00000 -0.00003 0.00000 102 4ZZ -0.00000 0.00002 -0.00001 -0.00000 -0.00000 103 4XY -0.00000 -0.00001 -0.00003 0.00002 0.00000 104 4XZ -0.00002 -0.00000 0.00001 -0.00001 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 -0.00001 0.00003 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 -0.00003 -0.00006 0.00004 0.00000 0.00000 112 3PX -0.00007 -0.00015 0.00009 0.00000 -0.00000 113 3PY -0.00001 -0.00001 -0.00005 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 0.00001 -0.00000 -0.00001 -0.00000 127 3PX -0.00003 0.00001 -0.00001 -0.00000 -0.00001 128 3PY 0.00005 -0.00001 -0.00001 -0.00001 -0.00000 129 3PZ 0.00001 -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 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 137 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 138 11 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 139 2S 0.00000 0.00000 0.00000 0.00000 0.00000 140 12 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 141 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 142 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00005 0.00000 -0.00000 0.00000 144 14 H 1S 0.00003 -0.00000 0.00005 -0.00000 -0.00000 145 2S 0.00052 -0.00011 0.00021 -0.00001 -0.00001 146 15 C 1S -0.00001 0.00000 -0.00008 -0.00002 -0.00002 147 2S 0.00011 -0.00035 0.00156 0.00044 0.00028 148 2PX 0.00009 -0.00049 0.00133 0.00049 0.00051 149 2PY -0.00033 -0.00027 0.00032 0.00051 0.00006 150 2PZ -0.00002 0.00000 0.00055 0.00007 0.00006 151 3S -0.00014 -0.00077 0.00073 0.00017 0.00015 152 3PX 0.00067 -0.00026 0.00007 0.00003 0.00010 153 3PY 0.00005 -0.00046 -0.00007 0.00010 -0.00001 154 3PZ 0.00006 -0.00020 0.00009 0.00012 0.00009 155 4XX -0.00010 -0.00002 -0.00007 -0.00002 0.00001 156 4YY 0.00002 -0.00000 -0.00002 0.00001 -0.00001 157 4ZZ -0.00003 0.00002 -0.00003 0.00000 0.00000 158 4XY -0.00002 -0.00006 0.00005 0.00002 -0.00000 159 4XZ -0.00004 -0.00001 0.00001 -0.00000 -0.00000 160 4YZ -0.00001 -0.00000 0.00002 -0.00001 -0.00000 161 16 O 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 162 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 163 2PX -0.00000 0.00000 -0.00000 0.00001 0.00000 164 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 165 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 166 3S 0.00006 0.00001 0.00000 -0.00006 -0.00000 167 3PX -0.00006 0.00013 -0.00000 0.00005 0.00000 168 3PY 0.00000 -0.00000 -0.00004 -0.00000 -0.00001 169 3PZ -0.00001 -0.00003 -0.00000 -0.00002 -0.00000 170 4XX -0.00000 0.00000 0.00000 0.00001 0.00000 171 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 172 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 174 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 176 17 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 177 2S -0.00001 0.00001 0.00002 0.00000 0.00001 178 2PX -0.00001 0.00003 0.00004 0.00002 0.00003 179 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ -0.00001 0.00000 0.00003 0.00001 0.00001 181 3S -0.00019 0.00025 0.00008 -0.00004 -0.00000 182 3PX -0.00010 0.00014 0.00004 -0.00000 0.00002 183 3PY -0.00002 -0.00004 0.00001 0.00003 0.00000 184 3PZ -0.00007 -0.00000 0.00005 0.00001 0.00001 185 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 187 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 188 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 191 18 O 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 192 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 193 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 195 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 196 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 199 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 201 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 202 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 203 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 204 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 205 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 206 19 O 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 208 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00001 -0.00000 0.00000 -0.00000 -0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00003 -0.00000 -0.00002 0.00001 -0.00001 212 3PX 0.00027 0.00005 -0.00000 0.00000 0.00000 213 3PY 0.00028 -0.00003 0.00005 -0.00001 -0.00001 214 3PZ 0.00003 -0.00001 -0.00000 0.00002 0.00004 215 4XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 216 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 217 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 H 1S -0.00095 0.00711 0.00000 0.00011 -0.00000 222 2S -0.00221 0.00621 0.00000 0.00003 0.00000 223 21 H 1S 0.00006 -0.00001 0.00000 0.00000 0.00001 224 2S 0.00028 -0.00023 -0.00001 0.00000 0.00005 225 22 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 2S 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 227 23 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 228 2S -0.00000 0.00000 0.00000 0.00000 0.00000 229 24 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 231 25 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 0.00000 0.00000 0.00000 0.00000 233 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 234 2S 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 7 C 1S 2.05281 92 2S -0.01110 0.30956 93 2PX 0.00000 0.00000 0.37395 94 2PY 0.00000 0.00000 -0.00000 0.40880 95 2PZ 0.00000 0.00000 0.00000 -0.00000 0.39982 96 3S -0.04005 0.23555 0.00000 0.00000 0.00000 97 3PX 0.00000 0.00000 0.08577 -0.00000 0.00000 98 3PY 0.00000 0.00000 -0.00000 0.08966 -0.00000 99 3PZ 0.00000 0.00000 -0.00000 0.00000 0.10231 100 4XX -0.00108 -0.00478 0.00000 0.00000 0.00000 101 4YY -0.00130 -0.00046 0.00000 0.00000 0.00000 102 4ZZ -0.00112 -0.00434 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 -0.00013 -0.00052 -0.00051 -0.00011 107 2S -0.00014 0.00356 0.01061 0.01014 0.00247 108 2PX -0.00055 0.01178 0.01208 0.02125 0.00511 109 2PY -0.00046 0.01036 0.02136 0.00983 0.00486 110 2PZ -0.00011 0.00232 0.00445 0.00435 -0.00081 111 3S 0.00073 0.00153 0.01383 0.01854 0.00311 112 3PX -0.00049 0.00997 0.00063 0.01400 0.00365 113 3PY -0.00048 0.00651 0.01438 -0.00024 0.00368 114 3PZ -0.00007 0.00188 0.00275 0.00303 -0.00144 115 4XX -0.00001 0.00036 -0.00060 0.00102 0.00032 116 4YY -0.00002 0.00035 0.00071 -0.00063 0.00024 117 4ZZ 0.00000 -0.00021 -0.00021 -0.00026 0.00001 118 4XY -0.00006 0.00123 0.00075 0.00060 0.00043 119 4XZ -0.00001 0.00025 0.00018 0.00039 0.00013 120 4YZ -0.00001 0.00024 0.00042 0.00017 0.00013 121 9 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 -0.00003 -0.00002 -0.00013 0.00000 123 2PX 0.00000 -0.00002 -0.00000 -0.00002 0.00000 124 2PY 0.00000 -0.00018 -0.00010 -0.00055 0.00000 125 2PZ 0.00000 -0.00000 -0.00000 -0.00001 0.00000 126 3S -0.00001 -0.00087 0.00020 -0.00414 -0.00004 127 3PX -0.00000 -0.00030 0.00001 -0.00016 0.00003 128 3PY 0.00007 -0.00270 -0.00091 -0.00688 -0.00003 129 3PZ 0.00000 -0.00002 -0.00000 -0.00014 -0.00002 130 4XX 0.00000 -0.00000 -0.00000 -0.00001 0.00000 131 4YY -0.00000 0.00001 0.00002 0.00006 -0.00000 132 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 133 4XY -0.00000 0.00000 0.00000 0.00002 -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 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 137 2S -0.00000 0.00008 0.00001 0.00027 0.00003 138 11 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 139 2S -0.00000 0.00009 0.00010 0.00020 0.00000 140 12 H 1S 0.00000 -0.00013 -0.00041 -0.00004 -0.00000 141 2S 0.00014 -0.00239 -0.00651 -0.00051 0.00003 142 13 H 1S 0.00000 -0.00012 -0.00009 -0.00011 -0.00028 143 2S 0.00012 -0.00215 -0.00133 -0.00180 -0.00500 144 14 H 1S -0.00160 0.02625 0.00350 0.07936 0.01151 145 2S -0.00107 0.00940 0.00232 0.05091 0.00731 146 15 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 -0.00003 -0.00017 -0.00000 -0.00000 148 2PX 0.00000 -0.00012 -0.00034 -0.00002 -0.00000 149 2PY 0.00000 -0.00001 -0.00005 0.00000 -0.00000 150 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00001 151 3S 0.00004 -0.00082 -0.00271 -0.00021 -0.00001 152 3PX 0.00011 -0.00175 -0.00164 -0.00038 -0.00001 153 3PY 0.00000 -0.00009 -0.00065 0.00019 -0.00000 154 3PZ -0.00000 0.00001 0.00000 -0.00000 -0.00008 155 4XX -0.00000 0.00002 0.00012 -0.00000 -0.00000 156 4YY 0.00000 -0.00000 -0.00001 -0.00000 0.00000 157 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 158 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 159 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 160 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 161 16 O 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 162 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 163 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 166 3S 0.00000 0.00000 0.00001 0.00000 0.00000 167 3PX -0.00000 0.00001 0.00005 0.00000 -0.00000 168 3PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 169 3PZ -0.00000 0.00000 0.00002 0.00000 0.00000 170 4XX 0.00000 0.00000 -0.00000 0.00000 -0.00000 171 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 172 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 173 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 174 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 175 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 176 17 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 177 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 178 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 180 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 181 3S -0.00000 0.00003 0.00010 0.00003 0.00001 182 3PX -0.00000 0.00003 0.00006 -0.00001 0.00001 183 3PY 0.00000 -0.00001 -0.00006 -0.00000 -0.00001 184 3PZ -0.00000 0.00000 0.00004 0.00000 0.00000 185 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 186 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 187 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 188 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 189 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 190 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 191 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 193 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 195 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 196 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 199 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 200 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 204 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 205 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 206 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 208 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 209 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 210 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 211 3S -0.00000 -0.00000 -0.00006 -0.00001 0.00000 212 3PX 0.00000 -0.00013 -0.00030 -0.00006 -0.00000 213 3PY -0.00000 0.00000 -0.00001 0.00001 0.00000 214 3PZ 0.00000 -0.00000 -0.00001 0.00000 0.00000 215 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 216 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 217 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 218 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 219 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 220 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 221 20 H 1S 0.00000 -0.00011 -0.00011 -0.00002 -0.00027 222 2S 0.00010 -0.00169 -0.00162 -0.00037 -0.00496 223 21 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 224 2S -0.00000 0.00007 0.00012 0.00017 0.00003 225 22 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 226 2S -0.00000 0.00002 0.00000 0.00006 0.00000 227 23 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 228 2S -0.00000 0.00009 -0.00000 -0.00001 0.00052 229 24 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 2S 0.00000 -0.00013 -0.00002 -0.00004 -0.00019 231 25 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 2S 0.00000 -0.00011 0.00001 -0.00002 -0.00025 233 26 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 234 2S -0.00000 0.00007 0.00000 0.00004 0.00031 96 97 98 99 100 96 3S 0.32922 97 3PX 0.00000 0.07598 98 3PY 0.00000 -0.00000 0.07026 99 3PZ 0.00000 0.00000 -0.00000 0.09073 100 4XX -0.00555 0.00000 0.00000 0.00000 0.00149 101 4YY 0.00132 0.00000 0.00000 0.00000 -0.00013 102 4ZZ -0.00230 0.00000 0.00000 0.00000 -0.00014 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 0.00013 -0.00048 -0.00088 -0.00003 -0.00002 107 2S 0.00092 0.00734 0.00860 0.00140 0.00038 108 2PX 0.01282 0.00050 0.00990 0.00339 -0.00077 109 2PY 0.00652 0.01437 -0.00027 0.00342 0.00097 110 2PZ 0.00366 0.00274 0.00215 -0.00010 0.00024 111 3S -0.01436 0.00774 0.01441 0.00174 0.00104 112 3PX 0.00820 -0.00470 0.00739 0.00316 -0.00079 113 3PY 0.00131 0.01109 -0.00434 0.00292 0.00094 114 3PZ 0.00301 0.00194 0.00184 -0.00001 0.00026 115 4XX 0.00016 -0.00043 0.00077 0.00023 0.00006 116 4YY 0.00109 0.00076 -0.00076 0.00020 -0.00009 117 4ZZ -0.00058 -0.00052 -0.00022 -0.00025 -0.00003 118 4XY 0.00057 0.00003 0.00000 0.00015 -0.00004 119 4XZ 0.00017 0.00001 0.00009 0.00014 -0.00002 120 4YZ 0.00012 0.00012 0.00000 0.00014 0.00000 121 9 C 1S -0.00000 0.00001 0.00008 -0.00000 0.00000 122 2S 0.00001 -0.00029 -0.00123 0.00002 -0.00000 123 2PX 0.00012 0.00014 0.00072 0.00007 -0.00000 124 2PY -0.00003 -0.00174 -0.00181 0.00014 -0.00001 125 2PZ -0.00000 0.00002 -0.00017 -0.00021 -0.00000 126 3S 0.00023 0.00015 -0.00771 -0.00001 -0.00008 127 3PX 0.00019 0.00045 0.00091 0.00014 0.00000 128 3PY -0.00090 -0.00311 -0.00711 0.00015 -0.00022 129 3PZ 0.00002 0.00004 -0.00035 -0.00077 -0.00000 130 4XX -0.00001 -0.00001 0.00003 0.00000 0.00000 131 4YY 0.00007 0.00010 0.00021 -0.00000 0.00000 132 4ZZ -0.00003 -0.00001 -0.00011 -0.00000 -0.00000 133 4XY 0.00002 -0.00002 0.00008 -0.00000 -0.00000 134 4XZ 0.00000 -0.00000 0.00000 0.00002 0.00000 135 4YZ -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 136 10 H 1S 0.00000 0.00005 -0.00005 0.00001 0.00000 137 2S -0.00005 0.00032 0.00006 0.00018 0.00001 138 11 H 1S -0.00000 0.00007 0.00004 -0.00006 0.00000 139 2S 0.00009 0.00059 0.00067 -0.00034 -0.00000 140 12 H 1S -0.00224 -0.00223 -0.00010 -0.00012 0.00011 141 2S -0.00827 -0.00884 -0.00057 -0.00012 0.00093 142 13 H 1S -0.00208 -0.00133 -0.00055 -0.00126 -0.00001 143 2S -0.00529 -0.00367 -0.00202 -0.00711 -0.00025 144 14 H 1S 0.04528 0.00212 0.04519 0.00640 -0.00097 145 2S 0.02973 0.00129 0.04045 0.00534 -0.00226 146 15 C 1S 0.00002 0.00018 0.00001 0.00000 -0.00000 147 2S -0.00044 -0.00307 -0.00006 -0.00001 0.00001 148 2PX -0.00233 -0.00098 0.00014 0.00002 0.00007 149 2PY -0.00007 -0.00032 0.00015 -0.00000 0.00001 150 2PZ 0.00001 -0.00003 -0.00000 -0.00027 0.00000 151 3S -0.00246 -0.00736 -0.00038 -0.00003 0.00014 152 3PX -0.00610 0.00325 -0.00022 0.00003 0.00015 153 3PY -0.00005 -0.00076 0.00046 -0.00000 0.00000 154 3PZ 0.00004 0.00001 -0.00001 -0.00047 -0.00000 155 4XX 0.00018 0.00076 -0.00001 -0.00000 0.00000 156 4YY 0.00001 -0.00004 0.00000 0.00000 -0.00000 157 4ZZ -0.00005 -0.00015 -0.00000 -0.00000 -0.00000 158 4XY -0.00001 -0.00015 -0.00003 -0.00000 0.00000 159 4XZ -0.00000 -0.00000 -0.00000 0.00002 0.00000 160 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 161 16 O 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 162 2S -0.00000 0.00003 0.00000 -0.00000 -0.00000 163 2PX -0.00001 -0.00001 0.00000 -0.00002 -0.00000 164 2PY -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 165 2PZ 0.00002 0.00008 0.00000 0.00000 -0.00000 166 3S -0.00009 0.00055 0.00001 0.00005 -0.00000 167 3PX -0.00011 0.00005 0.00004 -0.00015 -0.00000 168 3PY -0.00006 0.00001 -0.00002 0.00000 0.00000 169 3PZ 0.00023 0.00073 0.00001 -0.00001 -0.00000 170 4XX -0.00001 -0.00003 0.00000 -0.00001 0.00000 171 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 172 4ZZ 0.00000 0.00001 0.00000 0.00000 -0.00000 173 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00001 0.00000 0.00000 -0.00000 175 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 176 17 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00009 0.00001 -0.00001 -0.00000 178 2PX -0.00008 0.00005 -0.00001 -0.00003 0.00000 179 2PY 0.00002 -0.00005 -0.00000 -0.00001 -0.00000 180 2PZ -0.00000 0.00005 -0.00000 0.00000 0.00000 181 3S 0.00014 0.00056 0.00016 0.00002 -0.00000 182 3PX 0.00001 0.00008 -0.00011 -0.00005 -0.00001 183 3PY 0.00007 -0.00007 0.00001 -0.00004 0.00000 184 3PZ 0.00001 0.00020 0.00000 0.00003 -0.00000 185 4XX -0.00000 -0.00001 0.00000 0.00000 0.00000 186 4YY -0.00000 -0.00002 -0.00000 -0.00000 -0.00000 187 4ZZ 0.00000 0.00002 -0.00000 0.00000 0.00000 188 4XY -0.00000 -0.00001 -0.00000 0.00000 -0.00000 189 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 190 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 191 18 O 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 192 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 193 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 196 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 3PX 0.00000 -0.00001 -0.00002 -0.00000 -0.00000 198 3PY 0.00001 0.00005 0.00001 0.00000 0.00000 199 3PZ -0.00001 -0.00003 -0.00000 0.00000 -0.00000 200 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 203 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 204 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 206 19 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 207 2S -0.00005 0.00016 -0.00004 -0.00000 -0.00000 208 2PX -0.00017 0.00084 -0.00006 -0.00003 -0.00000 209 2PY 0.00004 -0.00016 0.00001 -0.00000 -0.00000 210 2PZ -0.00000 -0.00001 0.00001 -0.00002 0.00000 211 3S -0.00034 0.00097 -0.00016 -0.00001 -0.00000 212 3PX -0.00104 0.00429 -0.00029 -0.00014 -0.00002 213 3PY 0.00030 -0.00074 0.00004 -0.00001 -0.00001 214 3PZ -0.00000 -0.00004 0.00005 -0.00016 0.00000 215 4XX 0.00000 0.00003 0.00001 -0.00000 0.00000 216 4YY 0.00001 -0.00004 -0.00001 -0.00000 -0.00000 217 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 218 4XY -0.00002 0.00005 0.00000 -0.00000 0.00000 219 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 220 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 221 20 H 1S -0.00109 -0.00049 0.00026 -0.00157 -0.00001 222 2S -0.00200 -0.00134 0.00050 -0.00812 -0.00029 223 21 H 1S 0.00004 0.00010 -0.00006 0.00003 0.00000 224 2S 0.00024 0.00057 0.00001 0.00031 0.00001 225 22 H 1S 0.00000 -0.00000 -0.00004 -0.00000 0.00000 226 2S 0.00009 -0.00003 -0.00017 -0.00005 -0.00000 227 23 H 1S 0.00008 -0.00000 -0.00002 0.00029 -0.00000 228 2S 0.00152 0.00001 -0.00004 0.00397 -0.00000 229 24 H 1S -0.00006 0.00005 -0.00027 -0.00006 0.00000 230 2S -0.00035 0.00031 -0.00055 -0.00015 0.00000 231 25 H 1S -0.00020 0.00010 -0.00020 -0.00001 0.00000 232 2S -0.00103 0.00060 -0.00072 -0.00018 0.00001 233 26 H 1S 0.00007 -0.00000 -0.00000 0.00011 -0.00000 234 2S 0.00142 -0.00001 0.00012 0.00213 -0.00000 101 102 103 104 105 101 4YY 0.00149 102 4ZZ -0.00019 0.00164 103 4XY 0.00000 -0.00000 0.00090 104 4XZ 0.00000 0.00000 0.00000 0.00091 105 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00091 106 8 C 1S -0.00001 0.00000 -0.00006 -0.00001 -0.00001 107 2S 0.00032 -0.00025 0.00124 0.00029 0.00027 108 2PX 0.00101 -0.00027 0.00073 0.00017 0.00041 109 2PY -0.00049 -0.00025 0.00051 0.00039 0.00015 110 2PZ 0.00024 0.00001 0.00039 0.00015 0.00011 111 3S 0.00029 -0.00079 0.00082 0.00020 0.00022 112 3PX 0.00092 -0.00041 0.00003 0.00001 0.00014 113 3PY -0.00047 -0.00048 0.00001 0.00014 0.00000 114 3PZ 0.00015 -0.00030 0.00011 0.00023 0.00013 115 4XX -0.00009 -0.00004 -0.00002 -0.00001 0.00001 116 4YY 0.00005 -0.00002 -0.00001 -0.00001 -0.00002 117 4ZZ -0.00003 0.00002 -0.00001 -0.00000 -0.00000 118 4XY 0.00001 -0.00002 0.00002 0.00001 0.00001 119 4XZ -0.00000 -0.00000 0.00002 -0.00000 -0.00000 120 4YZ -0.00002 -0.00000 0.00001 -0.00000 -0.00000 121 9 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 122 2S 0.00002 -0.00000 0.00000 -0.00000 0.00000 123 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 124 2PY 0.00010 -0.00000 0.00002 0.00000 0.00000 125 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 126 3S 0.00034 -0.00004 0.00001 -0.00000 0.00001 127 3PX -0.00004 0.00000 -0.00001 0.00000 -0.00000 128 3PY 0.00073 -0.00014 0.00001 0.00000 0.00001 129 3PZ 0.00002 -0.00000 -0.00000 -0.00001 -0.00003 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 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 137 2S -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 138 11 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 139 2S -0.00002 0.00001 -0.00000 -0.00000 -0.00000 140 12 H 1S -0.00001 -0.00000 0.00001 -0.00000 -0.00000 141 2S -0.00029 -0.00012 -0.00005 -0.00002 -0.00000 142 13 H 1S -0.00001 0.00005 0.00000 0.00003 0.00003 143 2S -0.00024 0.00075 -0.00004 0.00007 0.00007 144 14 H 1S 0.00482 -0.00085 0.00048 0.00007 0.00168 145 2S 0.00488 -0.00142 0.00011 0.00002 0.00039 146 15 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 147 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 148 2PX -0.00000 -0.00000 0.00001 0.00000 -0.00000 149 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 150 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 151 3S -0.00001 -0.00003 0.00005 0.00000 0.00000 152 3PX -0.00000 -0.00004 0.00004 0.00000 0.00000 153 3PY 0.00001 -0.00001 -0.00003 0.00000 -0.00000 154 3PZ -0.00000 0.00000 -0.00000 0.00001 -0.00000 155 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 158 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 159 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 160 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 161 16 O 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 162 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 163 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 164 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 165 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 166 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 168 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 169 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 -0.00000 0.00000 -0.00000 171 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 172 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 173 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 174 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 175 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 176 17 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 177 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 178 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 179 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 180 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 181 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 182 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 183 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 184 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 185 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 187 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 191 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 194 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 195 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 196 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 197 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 198 3PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 199 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 200 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 201 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 202 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 203 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 204 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 205 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 206 19 O 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 207 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 209 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 210 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 211 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 213 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 214 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 215 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 216 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 217 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 218 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 219 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 220 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 221 20 H 1S -0.00000 0.00004 0.00000 0.00005 0.00001 222 2S -0.00016 0.00068 -0.00001 0.00010 0.00002 223 21 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 224 2S -0.00001 -0.00000 -0.00001 -0.00000 0.00000 225 22 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 226 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 227 23 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 2S -0.00001 0.00001 -0.00000 -0.00000 -0.00001 229 24 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 230 2S 0.00001 -0.00001 0.00000 -0.00001 -0.00002 231 25 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 232 2S 0.00001 -0.00001 -0.00000 -0.00002 -0.00001 233 26 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 234 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 106 107 108 109 110 106 8 C 1S 2.05170 107 2S -0.01179 0.30595 108 2PX 0.00000 0.00000 0.39457 109 2PY 0.00000 0.00000 0.00000 0.37968 110 2PZ 0.00000 0.00000 -0.00000 0.00000 0.39801 111 3S -0.03540 0.23758 0.00000 0.00000 0.00000 112 3PX 0.00000 0.00000 0.10720 0.00000 -0.00000 113 3PY 0.00000 0.00000 0.00000 0.09853 0.00000 114 3PZ 0.00000 0.00000 -0.00000 0.00000 0.10294 115 4XX -0.00135 -0.00103 0.00000 0.00000 0.00000 116 4YY -0.00115 -0.00474 0.00000 0.00000 0.00000 117 4ZZ -0.00137 -0.00069 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 -0.00015 -0.00005 -0.00089 -0.00019 122 2S -0.00015 0.00411 0.00113 0.01871 0.00401 123 2PX -0.00003 0.00065 -0.00019 0.00338 0.00041 124 2PY -0.00095 0.02007 0.00312 0.04889 0.01230 125 2PZ -0.00015 0.00318 0.00038 0.01298 -0.00064 126 3S 0.00031 0.00310 0.00132 0.02158 0.00509 127 3PX -0.00001 0.00010 -0.00159 0.00206 0.00025 128 3PY -0.00119 0.01707 0.00076 0.01918 0.00599 129 3PZ -0.00014 0.00209 0.00008 0.00818 -0.00274 130 4XX 0.00000 -0.00022 0.00002 -0.00054 -0.00012 131 4YY -0.00007 0.00164 0.00023 0.00052 0.00117 132 4ZZ 0.00000 -0.00021 -0.00003 -0.00025 -0.00006 133 4XY -0.00001 0.00017 0.00061 0.00028 0.00013 134 4XZ -0.00000 0.00004 0.00013 0.00009 0.00000 135 4YZ -0.00004 0.00077 0.00016 0.00129 0.00005 136 10 H 1S 0.00000 -0.00013 -0.00003 -0.00040 -0.00001 137 2S 0.00014 -0.00238 -0.00052 -0.00579 -0.00009 138 11 H 1S 0.00000 -0.00011 -0.00005 -0.00026 -0.00015 139 2S 0.00012 -0.00203 -0.00052 -0.00344 -0.00256 140 12 H 1S -0.00152 0.02623 0.07660 0.00886 0.00797 141 2S -0.00073 0.01160 0.05087 0.00556 0.00534 142 13 H 1S -0.00150 0.02545 -0.00001 0.00019 0.09334 143 2S -0.00052 0.00837 -0.00000 0.00020 0.06392 144 14 H 1S 0.00000 -0.00010 -0.00005 -0.00037 -0.00000 145 2S 0.00010 -0.00166 -0.00089 -0.00573 -0.00000 146 15 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 147 2S -0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 151 3S -0.00000 0.00003 0.00008 0.00001 0.00000 152 3PX -0.00000 0.00003 0.00008 0.00001 -0.00000 153 3PY -0.00000 0.00001 0.00006 0.00001 -0.00000 154 3PZ 0.00000 0.00000 0.00001 -0.00000 0.00000 155 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 156 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 157 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 158 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 159 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 160 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 161 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 164 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 165 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 166 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 167 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 169 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 170 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 172 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 174 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 175 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 177 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 178 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 179 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 181 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 182 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 184 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 185 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 186 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 187 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 188 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 191 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 193 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 195 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 196 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 199 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 200 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 201 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 203 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 204 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 205 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 206 19 O 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 207 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 208 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 211 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 212 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 215 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 216 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 218 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 220 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 221 20 H 1S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 222 2S 0.00001 -0.00020 -0.00059 -0.00005 0.00022 223 21 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 224 2S -0.00000 0.00004 0.00003 -0.00006 -0.00000 225 22 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 226 2S -0.00000 0.00006 0.00008 0.00016 0.00010 227 23 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 228 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00001 229 24 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 230 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 231 25 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 232 2S -0.00000 0.00002 0.00000 0.00002 0.00003 233 26 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 111 112 113 114 115 111 3S 0.31935 112 3PX 0.00000 0.09274 113 3PY 0.00000 0.00000 0.08521 114 3PZ 0.00000 -0.00000 -0.00000 0.08567 115 4XX -0.00001 0.00000 0.00000 0.00000 0.00154 116 4YY -0.00383 0.00000 0.00000 0.00000 -0.00006 117 4ZZ -0.00032 0.00000 0.00000 0.00000 -0.00025 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 0.00031 -0.00010 -0.00097 -0.00026 0.00000 122 2S 0.00289 0.00136 0.01404 0.00361 -0.00022 123 2PX 0.00083 -0.00241 0.00298 0.00048 0.00002 124 2PY 0.02436 0.00166 0.01756 0.00649 -0.00055 125 2PZ 0.00345 0.00033 0.00899 -0.00343 -0.00007 126 3S -0.00768 0.00147 0.01173 0.00351 -0.00091 127 3PX 0.00001 -0.00456 0.00236 0.00038 -0.00010 128 3PY 0.01712 0.00036 0.00463 0.00404 -0.00116 129 3PZ 0.00149 0.00010 0.00699 -0.00546 -0.00013 130 4XX -0.00093 -0.00013 -0.00110 -0.00025 0.00001 131 4YY 0.00258 0.00017 0.00052 0.00082 0.00001 132 4ZZ -0.00061 -0.00002 -0.00022 -0.00037 -0.00000 133 4XY 0.00011 0.00046 0.00005 0.00004 -0.00000 134 4XZ 0.00002 0.00012 0.00002 0.00001 -0.00000 135 4YZ 0.00051 0.00004 0.00022 0.00017 -0.00003 136 10 H 1S -0.00219 -0.00012 -0.00327 -0.00012 0.00000 137 2S -0.00774 -0.00078 -0.00972 -0.00039 0.00021 138 11 H 1S -0.00172 -0.00057 -0.00212 -0.00102 -0.00001 139 2S -0.00601 -0.00143 -0.00556 -0.00415 -0.00016 140 12 H 1S 0.03287 0.05362 0.00636 0.00514 0.00472 141 2S 0.00923 0.05417 0.00591 0.00537 0.00489 142 13 H 1S 0.03251 -0.00001 0.00014 0.06212 -0.00089 143 2S 0.00378 -0.00000 0.00026 0.06289 -0.00279 144 14 H 1S -0.00327 -0.00083 -0.00213 -0.00005 -0.00001 145 2S -0.00974 -0.00233 -0.00795 -0.00005 -0.00026 146 15 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 147 2S 0.00001 0.00003 0.00001 0.00000 -0.00000 148 2PX 0.00007 0.00012 0.00006 0.00001 -0.00000 149 2PY 0.00001 0.00002 0.00000 0.00000 -0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 151 3S 0.00042 0.00081 0.00022 -0.00001 -0.00000 152 3PX 0.00063 0.00078 0.00026 0.00004 -0.00000 153 3PY 0.00013 0.00038 0.00001 -0.00000 -0.00000 154 3PZ -0.00003 0.00001 -0.00001 0.00004 -0.00000 155 4XX -0.00000 -0.00001 -0.00000 -0.00000 0.00000 156 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 157 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 158 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 159 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 161 16 O 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 162 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 163 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 164 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 165 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 166 3S -0.00000 -0.00001 -0.00000 0.00000 0.00000 167 3PX -0.00003 -0.00004 -0.00001 0.00000 0.00000 168 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 169 3PZ -0.00000 -0.00001 0.00000 -0.00000 0.00000 170 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 172 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 173 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 174 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 175 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 176 17 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 177 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 179 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00004 0.00002 -0.00000 0.00002 0.00000 182 3PX -0.00009 -0.00007 0.00002 -0.00000 0.00000 183 3PY 0.00001 0.00001 0.00001 -0.00000 -0.00000 184 3PZ -0.00002 -0.00002 -0.00000 -0.00000 0.00000 185 4XX 0.00000 0.00000 -0.00000 0.00000 -0.00000 186 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 187 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 188 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 190 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 191 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 193 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 194 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 195 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 196 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 3PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 198 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 199 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 200 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 201 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 202 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 203 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 204 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 205 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 206 19 O 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 209 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 210 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 211 3S 0.00001 0.00002 0.00001 0.00000 -0.00000 212 3PX 0.00003 0.00004 0.00005 0.00001 0.00000 213 3PY -0.00001 -0.00001 -0.00001 -0.00000 0.00000 214 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 215 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 216 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 217 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 219 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 220 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 221 20 H 1S -0.00037 -0.00042 -0.00005 -0.00018 0.00000 222 2S -0.00175 -0.00192 -0.00011 0.00031 -0.00004 223 21 H 1S 0.00003 0.00003 -0.00002 -0.00000 0.00000 224 2S 0.00047 0.00023 -0.00041 0.00001 0.00001 225 22 H 1S 0.00008 0.00004 0.00015 0.00006 -0.00000 226 2S 0.00127 0.00059 0.00168 0.00078 -0.00000 227 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 228 2S -0.00004 -0.00007 0.00001 -0.00007 -0.00000 229 24 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 230 2S -0.00001 -0.00001 -0.00000 0.00009 -0.00000 231 25 H 1S 0.00000 -0.00000 -0.00000 -0.00001 0.00000 232 2S 0.00019 -0.00000 0.00021 -0.00003 0.00000 233 26 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 234 2S -0.00005 -0.00002 -0.00005 -0.00003 -0.00000 116 117 118 119 120 116 4YY 0.00132 117 4ZZ -0.00019 0.00194 118 4XY -0.00000 -0.00000 0.00101 119 4XZ 0.00000 0.00000 0.00000 0.00045 120 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00064 121 9 C 1S -0.00008 0.00000 -0.00001 -0.00000 -0.00004 122 2S 0.00169 -0.00023 0.00017 0.00004 0.00073 123 2PX 0.00028 0.00003 0.00063 0.00010 0.00011 124 2PY 0.00033 -0.00032 0.00038 0.00010 0.00136 125 2PZ 0.00112 -0.00005 0.00014 0.00000 0.00005 126 3S 0.00283 -0.00079 0.00011 0.00002 0.00045 127 3PX 0.00022 0.00003 0.00052 0.00006 0.00003 128 3PY 0.00036 -0.00027 0.00007 0.00001 0.00022 129 3PZ 0.00085 -0.00038 0.00004 0.00001 0.00017 130 4XX -0.00003 0.00001 0.00000 0.00000 0.00001 131 4YY 0.00005 -0.00009 0.00000 0.00000 -0.00003 132 4ZZ -0.00001 0.00001 -0.00000 -0.00000 -0.00000 133 4XY -0.00000 -0.00001 -0.00006 0.00001 -0.00001 134 4XZ -0.00002 0.00000 -0.00004 -0.00000 -0.00000 135 4YZ -0.00007 0.00000 -0.00001 0.00000 0.00000 136 10 H 1S 0.00007 -0.00001 0.00000 0.00000 0.00001 137 2S 0.00038 -0.00029 0.00001 0.00000 0.00005 138 11 H 1S 0.00002 0.00002 0.00003 0.00000 0.00003 139 2S -0.00005 0.00039 0.00014 0.00001 0.00007 140 12 H 1S -0.00084 -0.00083 0.00136 0.00101 0.00014 141 2S -0.00144 -0.00215 0.00030 0.00022 0.00003 142 13 H 1S -0.00097 0.00744 0.00000 -0.00000 0.00003 143 2S -0.00243 0.00709 0.00000 0.00000 0.00001 144 14 H 1S 0.00008 -0.00000 0.00001 -0.00000 -0.00000 145 2S 0.00069 -0.00009 -0.00003 -0.00000 -0.00001 146 15 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 152 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 155 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 156 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 158 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 159 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 160 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 161 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 163 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 164 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 165 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 166 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 167 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 169 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 170 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 171 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 172 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 176 17 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 177 2S -0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 180 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 181 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 182 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 184 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 185 4XX 0.00000 0.00000 -0.00000 0.00000 -0.00000 186 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 187 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 188 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 191 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 193 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 194 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 195 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 196 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 197 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 198 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 199 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 200 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 201 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 202 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 203 4XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 204 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 205 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 206 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 208 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 209 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 211 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 212 3PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 213 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 215 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 216 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 217 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 218 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 220 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 221 20 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 222 2S -0.00001 0.00005 -0.00001 0.00000 -0.00000 223 21 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 224 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 225 22 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 2S 0.00001 -0.00001 -0.00000 0.00000 -0.00000 227 23 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 228 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 229 24 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 230 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 231 25 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 232 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 233 26 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 234 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 121 122 123 124 125 121 9 C 1S 2.05173 122 2S -0.01182 0.30604 123 2PX 0.00000 0.00000 0.39118 124 2PY 0.00000 0.00000 -0.00000 0.38706 125 2PZ 0.00000 0.00000 -0.00000 0.00000 0.39369 126 3S -0.03547 0.23825 0.00000 0.00000 0.00000 127 3PX 0.00000 0.00000 0.10577 -0.00000 -0.00000 128 3PY 0.00000 0.00000 -0.00000 0.10030 -0.00000 129 3PZ 0.00000 0.00000 -0.00000 0.00000 0.10243 130 4XX -0.00129 -0.00218 0.00000 0.00000 0.00000 131 4YY -0.00130 -0.00224 0.00000 0.00000 0.00000 132 4ZZ -0.00129 -0.00209 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 H 1S -0.00150 0.02535 0.00189 0.04159 0.05007 137 2S -0.00049 0.00822 0.00111 0.02791 0.03536 138 11 H 1S -0.00153 0.02637 0.05624 0.00857 0.02867 139 2S -0.00072 0.01152 0.03765 0.00550 0.01857 140 12 H 1S 0.00000 -0.00011 -0.00020 -0.00026 -0.00000 141 2S 0.00012 -0.00196 -0.00249 -0.00409 0.00007 142 13 H 1S 0.00000 -0.00013 0.00000 -0.00015 -0.00029 143 2S 0.00014 -0.00236 0.00006 -0.00245 -0.00403 144 14 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 145 2S -0.00000 0.00006 0.00001 0.00031 0.00001 146 15 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 147 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 148 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 149 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 150 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 151 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 152 3PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 153 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 154 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 156 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 157 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 158 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 160 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 161 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 2PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 164 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 165 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 166 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 167 3PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 168 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 169 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 170 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 171 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 172 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 173 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 175 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 176 17 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 177 2S -0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 179 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 180 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 181 3S -0.00000 0.00003 0.00009 0.00000 0.00000 182 3PX -0.00000 0.00004 0.00013 0.00000 0.00000 183 3PY 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 184 3PZ -0.00000 0.00000 0.00003 -0.00000 0.00000 185 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 187 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 191 18 O 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 192 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 193 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 196 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 197 3PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 199 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 200 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 201 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 203 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 204 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 206 19 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 207 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 208 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 209 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 210 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 211 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 212 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 213 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 214 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 215 4XX 0.00000 0.00000 -0.00000 0.00000 -0.00000 216 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 217 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 218 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 219 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 220 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 221 20 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 222 2S -0.00000 0.00004 0.00005 -0.00002 -0.00007 223 21 H 1S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 224 2S 0.00001 -0.00020 -0.00057 0.00004 0.00013 225 22 H 1S 0.00000 -0.00010 -0.00018 -0.00008 -0.00017 226 2S 0.00010 -0.00164 -0.00284 -0.00127 -0.00247 227 23 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 228 2S -0.00000 0.00008 0.00009 0.00001 0.00025 229 24 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 231 25 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 232 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 233 26 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 2S -0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 3S 0.32352 127 3PX 0.00000 0.09146 128 3PY 0.00000 -0.00000 0.08548 129 3PZ 0.00000 -0.00000 -0.00000 0.08513 130 4XX -0.00085 0.00000 0.00000 0.00000 0.00120 131 4YY -0.00179 0.00000 0.00000 0.00000 -0.00017 132 4ZZ -0.00161 0.00000 0.00000 0.00000 -0.00003 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 H 1S 0.03225 0.00137 0.02727 0.03366 -0.00088 137 2S 0.00277 0.00114 0.02679 0.03584 -0.00255 138 11 H 1S 0.03292 0.03931 0.00650 0.01932 0.00204 139 2S 0.00801 0.04028 0.00611 0.01906 0.00265 140 12 H 1S -0.00167 -0.00202 -0.00176 -0.00001 0.00001 141 2S -0.00562 -0.00559 -0.00627 0.00020 0.00016 142 13 H 1S -0.00215 -0.00007 -0.00088 -0.00261 0.00000 143 2S -0.00797 0.00006 -0.00305 -0.00806 0.00017 144 14 H 1S 0.00008 -0.00001 0.00024 0.00001 0.00000 145 2S 0.00126 -0.00001 0.00285 0.00013 0.00000 146 15 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 147 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 148 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 150 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 151 3S 0.00004 0.00000 0.00003 -0.00000 0.00000 152 3PX -0.00008 -0.00007 0.00004 0.00000 0.00000 153 3PY 0.00000 0.00001 -0.00002 -0.00000 -0.00000 154 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 155 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 156 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 159 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 160 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 161 16 O 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 162 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 163 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 164 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 166 3S -0.00000 -0.00001 0.00000 -0.00000 0.00000 167 3PX -0.00003 -0.00004 0.00001 -0.00000 0.00000 168 3PY -0.00000 -0.00002 0.00000 0.00000 0.00000 169 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 170 4XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 171 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 172 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 174 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 175 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 176 17 C 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 177 2S 0.00001 0.00004 -0.00000 0.00000 -0.00000 178 2PX 0.00007 0.00017 -0.00000 0.00003 -0.00000 179 2PY 0.00000 0.00001 0.00000 -0.00000 -0.00000 180 2PZ 0.00000 0.00001 -0.00000 0.00000 -0.00000 181 3S 0.00045 0.00098 -0.00003 0.00006 -0.00000 182 3PX 0.00074 0.00122 0.00002 0.00016 -0.00000 183 3PY -0.00002 -0.00008 -0.00000 -0.00001 0.00000 184 3PZ -0.00000 0.00015 -0.00001 0.00002 -0.00000 185 4XX -0.00000 -0.00001 -0.00000 -0.00000 0.00000 186 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 188 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 190 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 191 18 O 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 192 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 194 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 195 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 196 3S 0.00001 0.00002 -0.00000 0.00000 -0.00000 197 3PX 0.00003 0.00006 -0.00000 0.00004 -0.00000 198 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 199 3PZ -0.00001 -0.00003 0.00000 -0.00001 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 201 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 202 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 205 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 206 19 O 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 207 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 208 2PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 209 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 212 3PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 213 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 214 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 216 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 217 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 219 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 220 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 221 20 H 1S 0.00003 0.00003 -0.00001 -0.00002 0.00000 222 2S 0.00057 0.00035 -0.00026 -0.00030 0.00001 223 21 H 1S -0.00034 -0.00055 -0.00003 -0.00007 -0.00000 224 2S -0.00142 -0.00193 0.00005 0.00015 -0.00006 225 22 H 1S -0.00328 -0.00182 0.00004 -0.00126 -0.00000 226 2S -0.00987 -0.00563 -0.00095 -0.00376 -0.00019 227 23 H 1S 0.00006 0.00009 -0.00001 0.00005 0.00000 228 2S 0.00084 0.00078 -0.00001 0.00118 0.00001 229 24 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 230 2S -0.00002 -0.00000 0.00000 -0.00001 -0.00000 231 25 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 232 2S 0.00006 -0.00001 -0.00004 0.00003 0.00000 233 26 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 234 2S 0.00000 0.00000 0.00001 -0.00001 0.00000 131 132 133 134 135 131 4YY 0.00100 132 4ZZ 0.00001 0.00071 133 4XY 0.00000 0.00000 0.00066 134 4XZ -0.00000 0.00000 -0.00000 0.00120 135 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00150 136 10 H 1S 0.00076 0.00138 0.00013 0.00017 0.00408 137 2S 0.00138 0.00206 0.00004 0.00002 0.00098 138 11 H 1S -0.00080 -0.00013 0.00103 0.00294 0.00048 139 2S -0.00165 -0.00014 0.00023 0.00063 0.00013 140 12 H 1S 0.00002 -0.00000 0.00006 0.00000 -0.00001 141 2S 0.00005 -0.00002 0.00025 0.00002 -0.00005 142 13 H 1S -0.00002 0.00004 -0.00000 0.00000 0.00006 143 2S -0.00044 0.00044 -0.00002 0.00001 0.00021 144 14 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 145 2S -0.00001 -0.00000 -0.00000 -0.00000 0.00000 146 15 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 147 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 148 2PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 149 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 150 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 151 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 154 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 155 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 158 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 159 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 160 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 161 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 163 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 164 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 165 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 166 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 167 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 168 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 169 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 170 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 171 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 172 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 173 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 174 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 176 17 C 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 177 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 178 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 179 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 181 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 182 3PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 183 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 184 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 185 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 186 4YY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 187 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 188 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 189 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 191 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 193 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 194 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 195 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 196 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 197 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 199 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 200 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 202 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 203 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 204 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 205 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 206 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 210 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 211 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 212 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 214 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 215 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 216 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 219 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 220 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 221 20 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 222 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 223 21 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 224 2S 0.00001 0.00002 -0.00000 0.00001 0.00000 225 22 H 1S 0.00000 0.00001 0.00003 0.00002 0.00002 226 2S 0.00020 0.00004 0.00012 0.00002 0.00012 227 23 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 2S -0.00001 -0.00002 -0.00000 -0.00000 -0.00001 229 24 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 230 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 231 25 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 232 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 233 26 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 234 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 136 137 138 139 140 136 10 H 1S 0.21328 137 2S 0.11536 0.16598 138 11 H 1S -0.00044 -0.00718 0.21248 139 2S -0.00661 -0.01973 0.11018 0.14840 140 12 H 1S 0.00000 0.00033 -0.00004 -0.00168 0.21254 141 2S 0.00035 0.00340 -0.00170 -0.00721 0.11058 142 13 H 1S -0.00004 -0.00145 0.00000 0.00035 -0.00044 143 2S -0.00144 -0.00573 0.00033 0.00350 -0.00707 144 14 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 145 2S -0.00000 -0.00014 -0.00000 -0.00012 -0.00035 146 15 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 149 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 150 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 151 3S -0.00000 -0.00001 0.00000 0.00000 -0.00000 152 3PX -0.00000 -0.00000 0.00000 0.00001 -0.00000 153 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 154 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 155 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 156 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 157 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 158 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 161 16 O 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 162 2S -0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 165 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 166 3S -0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 169 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 170 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 171 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 172 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 173 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 174 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 175 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 178 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 179 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 180 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 181 3S 0.00000 -0.00002 -0.00000 -0.00005 0.00000 182 3PX 0.00000 0.00004 -0.00000 -0.00005 0.00000 183 3PY 0.00000 0.00001 0.00000 0.00000 -0.00000 184 3PZ 0.00000 0.00001 -0.00000 -0.00000 0.00000 185 4XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 186 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 188 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 190 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 191 18 O 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 192 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 193 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 194 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 195 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 197 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 198 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 199 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 200 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 201 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 203 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 205 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 206 19 O 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 209 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 210 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 -0.00000 0.00000 -0.00000 212 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 213 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 214 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 215 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 216 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 221 20 H 1S -0.00000 -0.00002 0.00000 -0.00000 0.00000 222 2S -0.00002 -0.00048 0.00000 0.00001 0.00000 223 21 H 1S -0.00000 0.00036 0.00000 0.00001 0.00000 224 2S 0.00042 0.00367 0.00000 -0.00001 0.00000 225 22 H 1S -0.00000 -0.00031 -0.00001 -0.00045 -0.00000 226 2S -0.00031 -0.00131 -0.00036 -0.00164 -0.00000 227 23 H 1S -0.00000 -0.00000 0.00000 0.00003 -0.00000 228 2S -0.00000 -0.00017 0.00002 0.00049 -0.00000 229 24 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 230 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 231 25 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 232 2S -0.00000 -0.00000 0.00000 -0.00001 0.00003 233 26 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 234 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 141 142 143 144 145 141 2S 0.14915 142 13 H 1S -0.00670 0.21316 143 2S -0.02009 0.11487 0.16494 144 14 H 1S -0.00044 -0.00000 -0.00032 0.21389 145 2S -0.00160 -0.00031 -0.00122 0.10924 0.15460 146 15 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00001 147 2S -0.00000 0.00000 0.00000 -0.00000 -0.00031 148 2PX -0.00000 0.00000 0.00000 -0.00001 -0.00033 149 2PY -0.00000 0.00000 0.00000 0.00000 0.00002 150 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00001 151 3S -0.00005 0.00000 -0.00002 -0.00025 -0.00246 152 3PX -0.00004 0.00000 0.00003 -0.00055 0.00010 153 3PY -0.00001 0.00000 -0.00000 0.00001 -0.00001 154 3PZ -0.00000 0.00000 0.00002 -0.00003 0.00004 155 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00005 156 4YY -0.00000 -0.00000 0.00000 0.00000 0.00004 157 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 158 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00003 159 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 160 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 161 16 O 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 162 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 163 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 164 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 165 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 166 3S 0.00000 -0.00000 0.00000 -0.00000 0.00004 167 3PX 0.00000 -0.00000 0.00000 0.00000 0.00004 168 3PY -0.00000 -0.00000 0.00000 -0.00000 0.00001 169 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00001 170 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 171 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 172 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 173 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 174 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 176 17 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 178 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 179 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 180 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 3S 0.00000 -0.00000 -0.00001 -0.00000 -0.00008 182 3PX 0.00001 -0.00000 -0.00000 0.00000 -0.00000 183 3PY -0.00000 0.00000 0.00000 0.00000 0.00001 184 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 185 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 186 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 187 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 188 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 191 18 O 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 194 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 195 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 199 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 201 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 202 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 206 19 O 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 207 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00008 208 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00048 209 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00001 210 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00003 211 3S -0.00000 0.00000 0.00000 0.00001 0.00101 212 3PX -0.00000 -0.00000 0.00000 -0.00004 0.00328 213 3PY 0.00000 -0.00000 -0.00000 0.00001 0.00001 214 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00019 215 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 216 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 217 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 218 4XY -0.00000 0.00000 0.00000 -0.00000 0.00001 219 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 220 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 221 20 H 1S 0.00001 -0.00000 0.00037 -0.00001 -0.00028 222 2S 0.00000 0.00043 0.00376 -0.00044 -0.00124 223 21 H 1S -0.00000 -0.00000 -0.00002 -0.00000 -0.00000 224 2S 0.00001 -0.00001 -0.00046 -0.00000 -0.00014 225 22 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 226 2S -0.00012 -0.00000 -0.00013 0.00000 0.00001 227 23 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 228 2S -0.00002 0.00000 0.00002 -0.00000 -0.00011 229 24 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00016 230 2S -0.00001 0.00000 0.00001 0.00006 0.00143 231 25 H 1S 0.00002 -0.00000 -0.00000 -0.00000 0.00019 232 2S 0.00036 -0.00000 -0.00004 0.00009 0.00170 233 26 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 234 2S -0.00004 0.00000 0.00000 0.00001 0.00006 146 147 148 149 150 146 15 C 1S 2.05369 147 2S -0.01639 0.37275 148 2PX 0.00000 0.00000 0.37252 149 2PY 0.00000 0.00000 -0.00000 0.43645 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.30867 151 3S -0.02198 0.18060 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.04677 -0.00000 -0.00000 153 3PY 0.00000 0.00000 -0.00000 0.00254 0.00000 154 3PZ 0.00000 0.00000 -0.00000 0.00000 0.06961 155 4XX -0.00089 -0.00998 0.00000 0.00000 0.00000 156 4YY -0.00120 -0.00174 0.00000 0.00000 0.00000 157 4ZZ -0.00073 -0.01385 0.00000 0.00000 0.00000 158 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 159 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 161 16 O 1S 0.00000 -0.00009 -0.00045 -0.00027 -0.00018 162 2S -0.00004 0.00149 0.00831 0.00427 0.00328 163 2PX -0.00025 0.01091 0.00990 0.01391 0.01306 164 2PY -0.00016 0.00665 0.01430 0.00289 0.00819 165 2PZ -0.00011 0.00466 0.01370 0.00717 -0.00003 166 3S 0.00010 -0.00998 0.00697 0.00306 0.00223 167 3PX -0.00238 0.02029 0.00250 0.01453 0.01482 168 3PY -0.00148 0.01100 0.01329 -0.00086 0.00832 169 3PZ -0.00091 0.00757 0.01532 0.00670 0.00173 170 4XX -0.00011 0.00195 0.00012 0.00206 0.00175 171 4YY 0.00002 -0.00037 0.00028 -0.00069 -0.00016 172 4ZZ 0.00001 0.00000 0.00049 0.00007 -0.00010 173 4XY -0.00016 0.00140 0.00023 0.00003 0.00077 174 4XZ -0.00013 0.00117 0.00057 0.00137 0.00002 175 4YZ -0.00006 0.00048 0.00047 -0.00007 0.00001 176 17 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 177 2S 0.00000 -0.00021 0.00002 -0.00076 -0.00004 178 2PX 0.00000 -0.00008 -0.00007 -0.00009 0.00003 179 2PY 0.00000 -0.00051 -0.00018 -0.00092 -0.00024 180 2PZ 0.00000 -0.00020 0.00001 -0.00042 0.00001 181 3S 0.00022 -0.00301 0.00023 -0.00459 -0.00016 182 3PX 0.00010 -0.00091 -0.00090 0.00038 0.00012 183 3PY 0.00034 -0.00192 0.00012 0.00336 -0.00027 184 3PZ 0.00016 -0.00105 0.00018 0.00114 -0.00021 185 4XX -0.00000 -0.00000 0.00000 -0.00002 -0.00000 186 4YY -0.00000 0.00003 -0.00002 0.00012 0.00007 187 4ZZ -0.00000 0.00001 0.00001 0.00001 -0.00000 188 4XY -0.00000 0.00003 -0.00002 0.00007 0.00004 189 4XZ -0.00000 0.00000 -0.00000 0.00001 0.00000 190 4YZ -0.00000 0.00003 0.00002 0.00011 -0.00000 191 18 O 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 192 2S -0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 194 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 196 3S 0.00000 -0.00001 0.00000 0.00004 0.00001 197 3PX 0.00000 -0.00000 -0.00000 0.00000 -0.00001 198 3PY -0.00000 0.00003 0.00005 0.00008 0.00001 199 3PZ -0.00000 0.00001 0.00000 0.00004 0.00002 200 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 201 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 202 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 203 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 204 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 205 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 206 19 O 1S 0.00000 -0.00033 -0.00002 -0.00212 -0.00001 207 2S -0.00019 0.00486 0.00034 0.02928 0.00017 208 2PX 0.00000 -0.00015 0.01560 0.00184 -0.00019 209 2PY -0.00212 0.04896 0.00183 0.10342 0.00206 210 2PZ -0.00003 0.00066 -0.00019 0.00195 0.02514 211 3S -0.00088 -0.01274 0.00014 0.00357 -0.00045 212 3PX 0.00009 -0.00088 0.02740 0.00180 -0.00020 213 3PY -0.00898 0.07019 0.00156 0.04996 0.00151 214 3PZ -0.00016 0.00136 -0.00020 0.00141 0.04872 215 4XX 0.00001 -0.00083 0.00002 -0.00111 -0.00001 216 4YY -0.00090 0.00853 0.00030 0.01003 0.00042 217 4ZZ 0.00001 -0.00070 -0.00000 -0.00106 0.00003 218 4XY -0.00001 0.00004 0.00413 0.00017 -0.00002 219 4XZ -0.00000 0.00000 0.00003 0.00000 0.00004 220 4YZ -0.00002 0.00014 -0.00002 0.00035 0.00508 221 20 H 1S 0.00000 -0.00021 -0.00029 -0.00013 0.00001 222 2S 0.00018 -0.00358 -0.00289 -0.00121 -0.00114 223 21 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 224 2S -0.00001 0.00020 0.00007 0.00033 -0.00001 225 22 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 226 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 227 23 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 229 24 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 230 2S 0.00000 -0.00003 0.00009 -0.00005 0.00011 231 25 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 233 26 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 234 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 151 152 153 154 155 151 3S 0.19089 152 3PX 0.00000 0.06825 153 3PY 0.00000 -0.00000 0.03523 154 3PZ 0.00000 -0.00000 0.00000 0.06892 155 4XX -0.00336 0.00000 0.00000 0.00000 0.00299 156 4YY -0.00482 0.00000 0.00000 0.00000 -0.00051 157 4ZZ -0.00498 0.00000 0.00000 0.00000 0.00033 158 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 O 1S 0.00065 0.00037 0.00097 0.00024 -0.00005 162 2S -0.01059 -0.00601 -0.01193 -0.00344 0.00106 163 2PX 0.00409 0.00085 0.00602 0.00024 -0.00112 164 2PY 0.00451 0.00004 0.00113 0.00096 0.00150 165 2PZ 0.00153 0.00034 0.00363 0.00374 0.00100 166 3S -0.04791 -0.02251 -0.02762 -0.01150 0.00295 167 3PX 0.00520 0.00743 0.00867 -0.00116 -0.00216 168 3PY 0.00843 -0.00136 0.00373 0.00111 0.00172 169 3PZ 0.00152 -0.00071 0.00594 0.00978 0.00154 170 4XX 0.00210 -0.00068 0.00130 0.00070 -0.00010 171 4YY -0.00049 0.00107 -0.00023 0.00036 -0.00006 172 4ZZ 0.00062 0.00106 0.00019 -0.00029 0.00009 173 4XY 0.00044 0.00002 0.00003 0.00009 0.00006 174 4XZ 0.00026 0.00000 0.00022 0.00020 0.00003 175 4YZ 0.00010 0.00004 0.00003 0.00008 -0.00003 176 17 C 1S 0.00022 -0.00006 0.00065 0.00002 0.00000 177 2S -0.00304 0.00062 -0.00452 -0.00013 -0.00001 178 2PX -0.00060 -0.00072 -0.00017 0.00005 -0.00000 179 2PY -0.00280 -0.00036 0.00449 -0.00031 -0.00006 180 2PZ -0.00124 0.00004 0.00114 -0.00019 -0.00000 181 3S -0.00419 0.00188 -0.00569 0.00143 -0.00011 182 3PX -0.00211 -0.00095 -0.00080 -0.00022 -0.00002 183 3PY 0.00165 0.00106 0.00244 -0.00007 0.00004 184 3PZ -0.00214 0.00014 0.00011 -0.00083 0.00001 185 4XX 0.00006 0.00004 0.00006 0.00007 0.00000 186 4YY -0.00018 -0.00026 0.00005 0.00003 -0.00000 187 4ZZ 0.00016 0.00004 0.00037 -0.00005 0.00000 188 4XY 0.00007 0.00002 0.00005 0.00002 0.00000 189 4XZ 0.00001 -0.00002 -0.00001 -0.00000 -0.00000 190 4YZ -0.00004 -0.00002 0.00012 0.00002 -0.00000 191 18 O 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 192 2S 0.00000 -0.00001 -0.00001 -0.00001 0.00000 193 2PX -0.00002 -0.00000 -0.00006 -0.00002 0.00000 194 2PY 0.00009 0.00003 -0.00002 -0.00005 0.00000 195 2PZ 0.00001 -0.00001 -0.00012 0.00001 -0.00000 196 3S -0.00028 -0.00009 0.00060 -0.00006 -0.00000 197 3PX -0.00018 0.00000 -0.00034 -0.00014 -0.00000 198 3PY 0.00072 0.00024 0.00019 -0.00034 0.00000 199 3PZ 0.00007 -0.00010 -0.00071 0.00007 -0.00000 200 4XX -0.00000 0.00000 -0.00001 -0.00000 0.00000 201 4YY 0.00001 0.00000 0.00000 -0.00001 0.00000 202 4ZZ 0.00000 -0.00000 -0.00002 0.00000 -0.00000 203 4XY -0.00000 -0.00000 -0.00001 -0.00000 0.00000 204 4XZ -0.00000 -0.00000 -0.00001 -0.00000 0.00000 205 4YZ 0.00000 0.00000 -0.00001 -0.00000 0.00000 206 19 O 1S 0.00122 -0.00003 0.00064 0.00003 0.00001 207 2S -0.02006 0.00038 -0.01646 -0.00038 -0.00075 208 2PX -0.00016 0.02965 -0.00019 0.00000 0.00006 209 2PY 0.01960 -0.00026 -0.00293 0.00054 -0.00185 210 2PZ 0.00050 0.00000 -0.00013 0.02757 0.00000 211 3S -0.06944 0.00034 -0.03113 -0.00082 -0.00277 212 3PX -0.00080 0.06494 -0.00022 0.00001 -0.00003 213 3PY 0.03408 -0.00044 -0.00088 0.00079 -0.00551 214 3PZ 0.00126 0.00001 -0.00031 0.05980 0.00004 215 4XX -0.00040 -0.00000 0.00129 -0.00000 0.00010 216 4YY 0.00518 -0.00003 -0.00079 0.00017 -0.00029 217 4ZZ -0.00033 0.00003 0.00111 -0.00004 0.00003 218 4XY 0.00002 0.00170 -0.00000 -0.00000 0.00001 219 4XZ 0.00000 0.00002 -0.00000 0.00001 0.00000 220 4YZ 0.00003 -0.00000 -0.00000 0.00186 -0.00000 221 20 H 1S -0.00185 -0.00107 -0.00113 -0.00150 -0.00001 222 2S -0.00594 -0.00157 -0.00210 -0.00299 -0.00022 223 21 H 1S 0.00019 0.00006 -0.00005 0.00002 0.00000 224 2S 0.00218 0.00038 0.00012 0.00005 0.00000 225 22 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 226 2S -0.00008 -0.00001 -0.00000 0.00000 -0.00000 227 23 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 228 2S 0.00000 -0.00001 0.00001 -0.00002 -0.00000 229 24 H 1S 0.00002 -0.00002 0.00003 -0.00003 0.00000 230 2S -0.00036 0.00032 0.00018 0.00050 0.00001 231 25 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 232 2S 0.00000 -0.00001 -0.00001 0.00003 -0.00000 233 26 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 234 2S -0.00004 -0.00001 0.00001 0.00001 -0.00000 156 157 158 159 160 156 4YY 0.00291 157 4ZZ -0.00031 0.00239 158 4XY 0.00000 -0.00000 0.00622 159 4XZ -0.00000 0.00000 -0.00000 0.00116 160 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00385 161 16 O 1S 0.00002 0.00000 -0.00016 -0.00007 -0.00006 162 2S -0.00040 0.00002 0.00269 0.00121 0.00092 163 2PX 0.00104 0.00033 0.00211 0.00069 0.00318 164 2PY -0.00067 0.00037 0.00087 0.00203 0.00051 165 2PZ 0.00072 0.00000 0.00355 -0.00010 -0.00013 166 3S -0.00139 0.00062 0.00339 0.00117 0.00118 167 3PX 0.00186 0.00109 0.00037 0.00011 0.00206 168 3PY -0.00172 0.00101 -0.00008 0.00101 -0.00006 169 3PZ 0.00160 -0.00132 0.00222 0.00030 0.00039 170 4XX 0.00003 0.00006 -0.00000 0.00005 0.00021 171 4YY 0.00003 -0.00005 -0.00006 -0.00010 -0.00004 172 4ZZ -0.00003 -0.00002 -0.00005 -0.00000 -0.00000 173 4XY -0.00007 -0.00003 0.00002 0.00010 -0.00002 174 4XZ 0.00008 -0.00001 0.00015 -0.00000 -0.00000 175 4YZ -0.00002 0.00000 -0.00003 0.00000 0.00000 176 17 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 177 2S 0.00011 0.00000 -0.00001 -0.00001 0.00002 178 2PX -0.00003 0.00000 -0.00001 -0.00000 0.00002 179 2PY 0.00033 0.00001 -0.00003 -0.00002 0.00011 180 2PZ 0.00007 -0.00001 0.00001 -0.00000 -0.00001 181 3S 0.00020 0.00011 -0.00006 -0.00002 -0.00004 182 3PX 0.00011 0.00005 -0.00008 -0.00000 0.00006 183 3PY 0.00009 0.00012 -0.00008 -0.00002 -0.00004 184 3PZ 0.00028 -0.00005 0.00003 0.00000 0.00002 185 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 186 4YY 0.00001 0.00001 0.00000 0.00000 0.00003 187 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 188 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00001 189 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 190 4YZ 0.00002 -0.00000 0.00001 -0.00000 -0.00000 191 18 O 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 192 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 194 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 195 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 196 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 197 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 198 3PY -0.00000 -0.00000 0.00001 0.00000 -0.00000 199 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 200 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 201 4YY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 202 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 203 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 204 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 205 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 206 19 O 1S -0.00082 0.00001 -0.00001 -0.00000 -0.00002 207 2S 0.00846 -0.00061 0.00011 0.00001 0.00018 208 2PX 0.00019 -0.00001 0.00881 0.00008 0.00006 209 2PY 0.00126 -0.00143 0.00033 0.00003 0.00023 210 2PZ 0.00034 0.00010 0.00005 -0.00001 0.00673 211 3S 0.01291 -0.00216 -0.00004 0.00001 0.00014 212 3PX 0.00018 -0.00004 0.00869 0.00008 0.00002 213 3PY 0.00098 -0.00404 0.00005 0.00001 0.00007 214 3PZ 0.00029 -0.00009 0.00002 -0.00001 0.00662 215 4XX -0.00016 0.00003 0.00000 0.00000 -0.00000 216 4YY -0.00019 -0.00026 0.00004 0.00000 0.00003 217 4ZZ -0.00012 0.00007 0.00000 0.00000 0.00001 218 4XY 0.00001 -0.00000 0.00068 0.00001 -0.00000 219 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 220 4YZ 0.00004 0.00001 -0.00000 0.00000 0.00071 221 20 H 1S -0.00000 0.00005 -0.00001 0.00006 0.00004 222 2S -0.00002 0.00057 -0.00012 0.00020 0.00006 223 21 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 224 2S -0.00004 0.00001 0.00000 0.00000 -0.00000 225 22 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 226 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 227 23 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 228 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 229 24 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 230 2S 0.00001 -0.00000 0.00001 -0.00000 0.00001 231 25 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 233 26 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 234 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 161 162 163 164 165 161 16 O 1S 2.07598 162 2S -0.04214 0.50770 163 2PX 0.00000 0.00000 0.72220 164 2PY 0.00000 0.00000 -0.00000 0.60440 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.72160 166 3S -0.04239 0.47397 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.22781 -0.00000 -0.00000 168 3PY 0.00000 0.00000 -0.00000 0.16862 0.00000 169 3PZ 0.00000 0.00000 -0.00000 0.00000 0.23837 170 4XX -0.00039 -0.00659 0.00000 0.00000 0.00000 171 4YY -0.00058 0.00031 0.00000 0.00000 0.00000 172 4ZZ -0.00045 -0.00414 0.00000 0.00000 0.00000 173 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 -0.00004 -0.00008 -0.00043 -0.00002 177 2S -0.00009 0.00148 0.00335 0.01817 0.00065 178 2PX -0.00014 0.00276 -0.00023 0.01381 -0.00036 179 2PY -0.00073 0.01275 0.01294 0.04537 0.00428 180 2PZ -0.00003 0.00039 -0.00022 0.00374 0.00354 181 3S 0.00065 -0.01047 0.00080 0.00842 0.00077 182 3PX -0.00005 -0.00004 0.00681 -0.00222 -0.00002 183 3PY 0.00146 -0.01938 0.00166 0.00028 -0.00006 184 3PZ 0.00017 -0.00208 0.00051 0.00197 0.00749 185 4XX 0.00001 -0.00031 0.00021 -0.00123 0.00000 186 4YY -0.00020 0.00379 0.00350 0.00395 0.00127 187 4ZZ 0.00001 -0.00031 -0.00020 -0.00061 0.00024 188 4XY -0.00011 0.00188 0.00032 0.00377 0.00008 189 4XZ -0.00001 0.00020 -0.00000 0.00071 0.00021 190 4YZ -0.00002 0.00025 0.00031 0.00139 0.00196 191 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 193 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 194 2PY 0.00000 -0.00001 0.00000 -0.00005 -0.00003 195 2PZ 0.00000 -0.00000 -0.00000 -0.00001 0.00001 196 3S 0.00001 -0.00037 -0.00002 0.00042 -0.00053 197 3PX -0.00000 0.00001 -0.00011 0.00006 -0.00002 198 3PY 0.00009 -0.00178 0.00001 -0.00232 -0.00232 199 3PZ 0.00001 -0.00022 -0.00002 -0.00059 0.00033 200 4XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 201 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 203 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 204 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 205 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 206 19 O 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 207 2S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 208 2PX 0.00000 -0.00001 -0.00000 -0.00002 -0.00001 209 2PY 0.00000 -0.00001 -0.00000 -0.00003 -0.00001 210 2PZ 0.00000 -0.00000 -0.00001 -0.00002 0.00000 211 3S 0.00001 -0.00037 0.00046 -0.00091 0.00032 212 3PX 0.00004 -0.00066 -0.00001 -0.00110 -0.00067 213 3PY 0.00005 -0.00103 0.00045 -0.00178 -0.00001 214 3PZ 0.00002 -0.00028 -0.00052 -0.00124 -0.00012 215 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 216 4YY -0.00000 0.00000 -0.00000 0.00001 -0.00000 217 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 218 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 219 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 220 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 221 20 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 222 2S -0.00000 0.00004 0.00025 -0.00000 -0.00008 223 21 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 224 2S -0.00000 0.00004 0.00016 0.00010 -0.00010 225 22 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 226 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 227 23 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 228 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 229 24 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 230 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 231 25 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 232 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 233 26 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 234 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 166 167 168 169 170 166 3S 0.85662 167 3PX 0.00000 0.29214 168 3PY 0.00000 -0.00000 0.19615 169 3PZ 0.00000 -0.00000 0.00000 0.31852 170 4XX -0.01414 0.00000 0.00000 0.00000 0.00278 171 4YY -0.00237 0.00000 0.00000 0.00000 -0.00019 172 4ZZ -0.00720 0.00000 0.00000 0.00000 -0.00019 173 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 174 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 175 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 176 17 C 1S 0.00009 -0.00074 -0.00386 -0.00018 -0.00000 177 2S -0.00998 0.00667 0.03093 0.00123 0.00019 178 2PX 0.00242 -0.00238 0.01584 -0.00057 0.00001 179 2PY 0.00978 0.01597 0.03063 0.00392 0.00128 180 2PZ 0.00031 -0.00020 0.00307 0.00974 -0.00006 181 3S -0.04806 0.00043 0.01250 0.00173 0.00034 182 3PX -0.00404 0.01727 -0.00548 -0.00003 -0.00025 183 3PY -0.05356 0.00098 -0.00028 -0.00040 0.00122 184 3PZ -0.00412 0.00089 0.00323 0.01616 0.00002 185 4XX -0.00195 -0.00078 -0.00398 0.00000 -0.00003 186 4YY 0.00943 0.00464 0.00454 0.00161 0.00022 187 4ZZ -0.00217 -0.00103 -0.00199 -0.00037 -0.00002 188 4XY 0.00204 0.00119 0.00132 -0.00004 0.00003 189 4XZ 0.00030 -0.00003 0.00044 0.00038 0.00000 190 4YZ 0.00029 0.00016 0.00063 0.00322 -0.00002 191 18 O 1S 0.00000 0.00000 0.00001 0.00001 -0.00000 192 2S -0.00003 -0.00000 -0.00030 -0.00016 0.00000 193 2PX 0.00004 -0.00002 0.00008 -0.00001 0.00000 194 2PY -0.00333 0.00004 -0.00333 -0.00201 0.00000 195 2PZ 0.00014 -0.00002 -0.00040 0.00040 0.00000 196 3S -0.00178 -0.00010 0.00313 -0.00296 0.00007 197 3PX 0.00024 -0.00018 0.00037 -0.00008 -0.00000 198 3PY -0.01970 0.00010 -0.01031 -0.00993 0.00003 199 3PZ 0.00090 -0.00012 -0.00104 0.00007 0.00005 200 4XX 0.00012 0.00000 0.00002 0.00001 -0.00000 201 4YY -0.00024 0.00000 -0.00015 -0.00005 0.00000 202 4ZZ 0.00008 -0.00000 -0.00011 0.00009 -0.00000 203 4XY 0.00000 -0.00001 0.00000 -0.00000 0.00000 204 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 205 4YZ -0.00012 -0.00000 -0.00000 -0.00000 -0.00000 206 19 O 1S 0.00000 -0.00001 0.00003 -0.00000 -0.00000 207 2S -0.00004 0.00003 -0.00049 -0.00002 0.00000 208 2PX -0.00148 -0.00003 -0.00138 -0.00079 0.00000 209 2PY -0.00087 0.00009 -0.00083 -0.00021 -0.00000 210 2PZ -0.00076 -0.00073 -0.00130 -0.00011 0.00000 211 3S -0.00185 0.00266 -0.00461 0.00196 0.00007 212 3PX -0.00884 0.00068 -0.00571 -0.00352 0.00004 213 3PY -0.00506 0.00219 -0.00397 0.00029 -0.00002 214 3PZ -0.00451 -0.00306 -0.00587 -0.00230 -0.00001 215 4XX 0.00009 -0.00004 0.00009 -0.00003 -0.00000 216 4YY -0.00004 -0.00003 0.00014 -0.00007 -0.00000 217 4ZZ 0.00004 -0.00003 0.00004 -0.00002 -0.00000 218 4XY -0.00017 0.00000 -0.00010 -0.00004 0.00000 219 4XZ 0.00000 -0.00000 0.00001 0.00000 -0.00000 220 4YZ -0.00009 -0.00004 -0.00009 -0.00002 0.00000 221 20 H 1S 0.00000 0.00007 -0.00000 -0.00004 0.00000 222 2S -0.00008 0.00159 -0.00003 -0.00063 0.00002 223 21 H 1S 0.00000 0.00005 0.00002 -0.00004 0.00000 224 2S -0.00003 0.00103 0.00062 -0.00072 0.00003 225 22 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 226 2S 0.00005 0.00002 0.00005 0.00000 -0.00000 227 23 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 228 2S -0.00001 -0.00000 -0.00000 -0.00000 0.00000 229 24 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 230 2S 0.00003 -0.00001 -0.00001 -0.00002 -0.00000 231 25 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 232 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 233 26 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 234 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 171 172 173 174 175 171 4YY 0.00133 172 4ZZ 0.00010 0.00106 173 4XY -0.00000 0.00000 0.00154 174 4XZ -0.00000 0.00000 0.00000 0.00171 175 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00064 176 17 C 1S -0.00024 0.00001 -0.00017 -0.00000 -0.00002 177 2S 0.00309 -0.00046 0.00163 0.00005 0.00011 178 2PX 0.00151 0.00007 0.00016 0.00004 0.00003 179 2PY 0.00021 -0.00075 0.00247 0.00015 -0.00005 180 2PZ 0.00030 0.00003 0.00028 0.00027 0.00124 181 3S 0.00251 -0.00028 0.00043 0.00003 -0.00000 182 3PX 0.00047 0.00032 0.00051 0.00003 -0.00001 183 3PY 0.00012 0.00077 0.00006 -0.00000 0.00002 184 3PZ 0.00029 -0.00006 0.00004 0.00018 0.00045 185 4XX 0.00004 0.00002 0.00002 -0.00000 -0.00001 186 4YY -0.00023 -0.00023 0.00010 0.00004 0.00001 187 4ZZ -0.00007 0.00007 -0.00004 0.00001 0.00000 188 4XY 0.00008 -0.00000 -0.00007 -0.00001 -0.00002 189 4XZ -0.00002 0.00000 -0.00001 -0.00001 0.00004 190 4YZ 0.00001 -0.00001 0.00005 0.00012 0.00006 191 18 O 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 194 2PY 0.00004 0.00001 0.00000 0.00000 0.00003 195 2PZ 0.00002 -0.00000 0.00000 -0.00000 0.00000 196 3S -0.00013 -0.00000 -0.00000 0.00000 -0.00006 197 3PX -0.00001 -0.00000 0.00008 -0.00000 0.00000 198 3PY 0.00052 0.00042 0.00000 0.00000 0.00027 199 3PZ 0.00018 -0.00009 0.00000 -0.00000 0.00001 200 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 201 4YY 0.00001 0.00000 -0.00000 -0.00000 0.00001 202 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 203 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 205 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 206 19 O 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 207 2S 0.00001 0.00000 -0.00000 -0.00000 0.00000 208 2PX 0.00002 0.00000 -0.00000 -0.00000 0.00001 209 2PY 0.00004 -0.00000 0.00001 -0.00000 0.00001 210 2PZ 0.00002 0.00000 0.00000 0.00000 -0.00000 211 3S -0.00007 -0.00001 -0.00009 0.00002 -0.00005 212 3PX 0.00032 0.00008 -0.00000 -0.00000 0.00007 213 3PY 0.00047 -0.00003 0.00002 0.00001 0.00009 214 3PZ 0.00031 0.00001 0.00004 -0.00001 0.00003 215 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 216 4YY 0.00001 0.00000 0.00001 0.00000 0.00001 217 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 218 4XY 0.00001 0.00000 -0.00000 0.00000 0.00000 219 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 220 4YZ 0.00001 -0.00000 0.00000 0.00000 -0.00000 221 20 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 222 2S 0.00001 0.00000 0.00000 -0.00002 0.00000 223 21 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 224 2S -0.00001 0.00001 -0.00001 -0.00000 -0.00000 225 22 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 226 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 227 23 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 228 2S 0.00000 0.00000 0.00000 0.00000 0.00000 229 24 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 231 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 0.00000 0.00000 0.00000 233 26 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 234 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 176 177 178 179 180 176 17 C 1S 2.05363 177 2S -0.01639 0.37295 178 2PX 0.00000 0.00000 0.40075 179 2PY 0.00000 0.00000 0.00000 0.35768 180 2PZ 0.00000 0.00000 0.00000 -0.00000 0.35912 181 3S -0.02177 0.17903 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.04962 0.00000 -0.00000 183 3PY 0.00000 0.00000 0.00000 0.01977 0.00000 184 3PZ 0.00000 0.00000 -0.00000 0.00000 0.04915 185 4XX -0.00098 -0.00816 0.00000 0.00000 0.00000 186 4YY -0.00095 -0.00777 0.00000 0.00000 0.00000 187 4ZZ -0.00090 -0.00964 0.00000 0.00000 0.00000 188 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 191 18 O 1S 0.00000 -0.00033 -0.00042 -0.00087 -0.00086 192 2S -0.00019 0.00482 0.00628 0.01170 0.01173 193 2PX -0.00032 0.00690 0.00201 0.01149 0.02296 194 2PY -0.00101 0.02398 0.01139 0.00287 0.03993 195 2PZ -0.00081 0.01864 0.02308 0.04040 -0.00249 196 3S -0.00094 -0.01192 0.00106 -0.00084 0.00332 197 3PX -0.00093 0.00664 0.00919 0.00816 0.02033 198 3PY -0.00481 0.03877 0.00731 -0.00032 0.03212 199 3PZ -0.00334 0.02576 0.01997 0.03283 0.00289 200 4XX 0.00005 -0.00031 0.00001 0.00022 0.00084 201 4YY -0.00009 0.00160 0.00116 -0.00061 0.00371 202 4ZZ -0.00004 0.00120 0.00202 0.00339 -0.00087 203 4XY -0.00020 0.00119 0.00022 0.00023 0.00244 204 4XZ -0.00016 0.00093 0.00013 0.00185 0.00022 205 4YZ -0.00045 0.00252 0.00215 0.00088 0.00040 206 19 O 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 207 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 208 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 209 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 210 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 211 3S 0.00000 -0.00001 0.00000 0.00005 0.00001 212 3PX -0.00000 0.00000 0.00001 0.00002 -0.00000 213 3PY -0.00000 0.00004 -0.00000 0.00014 0.00002 214 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 215 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 216 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 217 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 218 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 219 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 220 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 221 20 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 222 2S -0.00001 0.00020 0.00021 0.00004 0.00015 223 21 H 1S 0.00000 -0.00021 -0.00031 0.00000 -0.00009 224 2S 0.00018 -0.00363 -0.00307 -0.00053 -0.00165 225 22 H 1S 0.00000 -0.00000 -0.00001 -0.00000 0.00000 226 2S 0.00001 -0.00032 -0.00026 -0.00002 0.00000 227 23 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 228 2S -0.00000 0.00001 0.00005 0.00000 0.00000 229 24 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 230 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 231 25 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 26 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 234 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 181 182 183 184 185 181 3S 0.18873 182 3PX 0.00000 0.07465 183 3PY 0.00000 0.00000 0.04023 184 3PZ 0.00000 -0.00000 0.00000 0.05717 185 4XX -0.00210 0.00000 0.00000 0.00000 0.00344 186 4YY -0.00695 0.00000 0.00000 0.00000 -0.00071 187 4ZZ -0.00395 0.00000 0.00000 0.00000 0.00021 188 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 O 1S 0.00117 -0.00006 0.00044 0.00015 0.00003 192 2S -0.01959 -0.00061 -0.00939 -0.00535 -0.00067 193 2PX 0.00225 0.02036 0.00250 0.00156 0.00061 194 2PY 0.01090 0.00190 0.00593 0.00509 0.00045 195 2PZ 0.00642 0.00199 0.00759 0.00752 -0.00076 196 3S -0.06734 -0.00321 -0.01644 -0.00942 -0.00163 197 3PX 0.00140 0.04911 0.00427 0.00250 -0.00192 198 3PY 0.02255 0.00297 0.02061 0.00762 0.00131 199 3PZ 0.00999 0.00290 0.01201 0.02267 -0.00125 200 4XX 0.00045 -0.00068 0.00062 0.00103 -0.00005 201 4YY 0.00171 0.00045 -0.00122 0.00174 0.00005 202 4ZZ 0.00131 0.00106 0.00211 -0.00148 0.00005 203 4XY 0.00023 0.00056 0.00006 0.00011 0.00002 204 4XZ 0.00019 0.00041 0.00012 0.00006 0.00002 205 4YZ 0.00044 0.00008 0.00003 0.00016 -0.00005 206 19 O 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 207 2S 0.00000 0.00000 -0.00004 0.00000 -0.00000 208 2PX 0.00001 -0.00000 0.00002 0.00000 0.00000 209 2PY 0.00006 -0.00002 -0.00018 -0.00005 0.00000 210 2PZ 0.00001 -0.00000 0.00001 0.00000 0.00000 211 3S -0.00028 0.00005 0.00021 0.00015 -0.00000 212 3PX 0.00010 -0.00003 0.00014 0.00001 -0.00000 213 3PY 0.00037 -0.00007 -0.00093 -0.00021 -0.00000 214 3PZ 0.00012 -0.00002 0.00007 -0.00005 0.00000 215 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 216 4YY 0.00001 -0.00000 -0.00004 -0.00001 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 218 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 220 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 221 20 H 1S 0.00019 0.00011 -0.00007 -0.00002 0.00000 222 2S 0.00222 0.00077 -0.00029 -0.00009 0.00000 223 21 H 1S -0.00175 -0.00127 -0.00011 -0.00231 -0.00002 224 2S -0.00540 -0.00204 0.00002 -0.00460 -0.00055 225 22 H 1S -0.00025 -0.00040 -0.00015 0.00002 -0.00000 226 2S -0.00241 0.00024 0.00027 0.00001 -0.00007 227 23 H 1S 0.00003 0.00003 0.00000 -0.00002 0.00000 228 2S 0.00053 0.00044 0.00001 -0.00009 0.00001 229 24 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 230 2S -0.00004 -0.00000 0.00001 -0.00001 0.00000 231 25 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 232 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 233 26 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 234 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 186 187 188 189 190 186 4YY 0.00589 187 4ZZ -0.00068 0.00306 188 4XY -0.00000 -0.00000 0.00332 189 4XZ -0.00000 0.00000 -0.00000 0.00225 190 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00290 191 18 O 1S -0.00006 -0.00006 -0.00021 -0.00014 -0.00039 192 2S 0.00054 0.00057 0.00201 0.00135 0.00364 193 2PX 0.00208 0.00022 0.00018 0.00025 0.00343 194 2PY -0.00249 0.00259 0.00088 0.00341 0.00007 195 2PZ 0.00204 -0.00121 0.00303 -0.00005 0.00015 196 3S 0.00306 0.00222 0.00114 0.00065 0.00262 197 3PX 0.00306 0.00048 0.00108 0.00140 0.00141 198 3PY -0.00494 0.00381 -0.00005 0.00129 0.00000 199 3PZ 0.00345 -0.00305 0.00111 0.00003 -0.00000 200 4XX 0.00004 0.00006 0.00002 0.00001 -0.00001 201 4YY -0.00019 0.00021 -0.00002 0.00018 -0.00004 202 4ZZ 0.00019 -0.00017 0.00017 -0.00001 -0.00005 203 4XY -0.00004 0.00011 0.00001 -0.00000 0.00009 204 4XZ 0.00007 -0.00002 -0.00000 0.00001 0.00004 205 4YZ -0.00007 -0.00006 0.00009 0.00005 0.00002 206 19 O 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 207 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 208 2PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 209 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 210 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 212 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 213 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 214 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 215 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 216 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 217 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 218 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 220 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 221 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 222 2S 0.00000 -0.00002 -0.00000 -0.00000 -0.00001 223 21 H 1S 0.00001 0.00006 0.00003 0.00003 0.00003 224 2S 0.00042 0.00042 0.00010 -0.00000 0.00008 225 22 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 226 2S 0.00007 0.00001 -0.00000 0.00001 0.00001 227 23 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 228 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 229 24 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 230 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 231 25 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 0.00000 0.00000 0.00000 0.00000 233 26 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 234 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 191 192 193 194 195 191 18 O 1S 2.07883 192 2S -0.04279 0.50491 193 2PX 0.00000 0.00000 0.71499 194 2PY 0.00000 0.00000 -0.00000 0.67511 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.59636 196 3S -0.04082 0.45641 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.22870 -0.00000 0.00000 198 3PY 0.00000 0.00000 -0.00000 0.20507 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.17814 200 4XX -0.00040 -0.00571 0.00000 0.00000 0.00000 201 4YY -0.00038 -0.00587 0.00000 0.00000 0.00000 202 4ZZ -0.00041 -0.00489 0.00000 0.00000 0.00000 203 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 205 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 206 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 208 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 210 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 211 3S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 212 3PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 213 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 214 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 220 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 221 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 222 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 223 21 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 224 2S -0.00000 0.00005 0.00017 -0.00001 -0.00023 225 22 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 226 2S -0.00000 0.00008 0.00039 0.00012 0.00000 227 23 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 2S 0.00000 -0.00000 -0.00001 -0.00000 0.00000 229 24 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 230 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 231 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 233 26 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 234 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 196 197 198 199 200 196 3S 0.77123 197 3PX 0.00000 0.29501 198 3PY 0.00000 -0.00000 0.25239 199 3PZ 0.00000 0.00000 0.00000 0.21567 200 4XX -0.00855 0.00000 0.00000 0.00000 0.00118 201 4YY -0.01220 0.00000 0.00000 0.00000 0.00000 202 4ZZ -0.01056 0.00000 0.00000 0.00000 -0.00008 203 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 O 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 207 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 209 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 210 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 211 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 212 3PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 213 3PY -0.00000 0.00000 -0.00001 -0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 215 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 217 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 219 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 220 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 221 20 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 222 2S -0.00002 -0.00004 -0.00001 0.00000 0.00000 223 21 H 1S -0.00003 0.00010 -0.00001 -0.00030 0.00000 224 2S -0.00028 0.00115 -0.00000 -0.00162 0.00001 225 22 H 1S 0.00000 -0.00002 -0.00001 0.00000 -0.00000 226 2S 0.00096 0.00278 0.00072 0.00004 0.00002 227 23 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 2S -0.00000 -0.00013 -0.00001 0.00000 -0.00000 229 24 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 230 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 231 25 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 232 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 233 26 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 234 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 201 202 203 204 205 201 4YY 0.00219 202 4ZZ -0.00013 0.00226 203 4XY 0.00000 -0.00000 0.00111 204 4XZ -0.00000 0.00000 -0.00000 0.00095 205 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00125 206 19 O 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 209 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 210 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 211 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 212 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 213 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 214 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 220 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 221 20 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 222 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 223 21 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 224 2S 0.00003 -0.00001 -0.00000 -0.00001 0.00000 225 22 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 226 2S -0.00003 -0.00001 0.00000 0.00000 0.00000 227 23 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 228 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 229 24 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 230 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 231 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 233 26 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 234 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 206 207 208 209 210 206 19 O 1S 2.07888 207 2S -0.04274 0.50383 208 2PX 0.00000 0.00000 0.75528 209 2PY 0.00000 0.00000 -0.00000 0.59838 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.63325 211 3S -0.04108 0.45804 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.24875 0.00000 0.00000 213 3PY 0.00000 0.00000 -0.00000 0.15684 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.20639 215 4XX -0.00040 -0.00587 0.00000 0.00000 0.00000 216 4YY -0.00035 -0.00619 0.00000 0.00000 0.00000 217 4ZZ -0.00043 -0.00463 0.00000 0.00000 0.00000 218 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 220 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 221 20 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 222 2S -0.00000 0.00006 0.00013 -0.00003 -0.00017 223 21 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 224 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 225 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 226 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 227 23 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 228 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 229 24 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 2S -0.00000 0.00007 0.00011 0.00002 0.00016 231 25 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 0.00000 0.00000 0.00000 0.00000 233 26 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 234 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 211 212 213 214 215 211 3S 0.78038 212 3PX 0.00000 0.32771 213 3PY 0.00000 -0.00000 0.16649 214 3PZ 0.00000 0.00000 0.00000 0.26917 215 4XX -0.00802 0.00000 0.00000 0.00000 0.00055 216 4YY -0.01785 0.00000 0.00000 0.00000 -0.00006 217 4ZZ -0.00619 0.00000 0.00000 0.00000 0.00015 218 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 219 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 H 1S -0.00003 0.00007 -0.00007 -0.00020 0.00000 222 2S -0.00014 0.00092 -0.00043 -0.00093 0.00001 223 21 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 224 2S -0.00001 -0.00001 -0.00004 0.00000 0.00000 225 22 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 226 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 227 23 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 228 2S -0.00000 0.00000 0.00000 0.00000 0.00000 229 24 H 1S -0.00001 -0.00001 0.00000 -0.00000 0.00000 230 2S 0.00073 0.00085 0.00014 0.00122 -0.00000 231 25 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 232 2S 0.00000 0.00001 0.00000 0.00000 -0.00000 233 26 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 234 2S 0.00000 0.00001 0.00000 0.00000 0.00000 216 217 218 219 220 216 4YY 0.00334 217 4ZZ -0.00007 0.00048 218 4XY 0.00000 0.00000 0.00194 219 4XZ 0.00000 0.00000 -0.00000 0.00005 220 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00218 221 20 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 222 2S -0.00000 0.00003 -0.00000 0.00000 -0.00002 223 21 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 224 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 225 22 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 226 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 227 23 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 228 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 229 24 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 230 2S -0.00002 0.00000 -0.00000 0.00001 -0.00000 231 25 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 233 26 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 234 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 221 222 223 224 225 221 20 H 1S 0.21193 222 2S 0.10386 0.13919 223 21 H 1S -0.00003 -0.00119 0.21201 224 2S -0.00119 -0.00418 0.10405 0.13903 225 22 H 1S -0.00000 -0.00000 -0.00000 -0.00043 0.21400 226 2S -0.00000 -0.00013 -0.00029 -0.00138 0.10879 227 23 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00001 228 2S 0.00000 0.00002 -0.00000 -0.00017 -0.00084 229 24 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 230 2S 0.00000 -0.00002 -0.00000 -0.00000 0.00000 231 25 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00001 0.00000 0.00000 0.00000 233 26 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 234 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 226 227 228 229 230 226 2S 0.15048 227 23 H 1S -0.00074 0.21271 228 2S -0.00391 0.10946 0.15167 229 24 H 1S 0.00000 0.00000 0.00000 0.20886 230 2S 0.00000 0.00001 0.00009 0.10148 0.13483 231 25 H 1S 0.00000 0.00000 0.00000 -0.00035 -0.00573 232 2S 0.00000 0.00001 0.00010 -0.00621 -0.01826 233 26 H 1S -0.00000 -0.00000 0.00048 -0.00037 -0.00543 234 2S -0.00001 0.00050 0.00497 -0.00566 -0.01461 231 232 233 234 231 25 H 1S 0.21017 232 2S 0.10931 0.14897 233 26 H 1S -0.00037 -0.00595 0.20964 234 2S -0.00561 -0.01601 0.10535 0.13750 Gross orbital populations: 1 1 1 C 1S 1.99190 2 2S 0.67459 3 2PX 0.70780 4 2PY 0.70326 5 2PZ 0.70742 6 3S 0.65863 7 3PX 0.36327 8 3PY 0.33710 9 3PZ 0.34812 10 4XX 0.00542 11 4YY -0.00157 12 4ZZ 0.00583 13 4XY 0.01011 14 4XZ 0.00229 15 4YZ 0.00599 16 2 C 1S 1.99220 17 2S 0.70901 18 2PX 0.57717 19 2PY 0.75835 20 2PZ 0.72033 21 3S 0.46630 22 3PX 0.37274 23 3PY 0.12333 24 3PZ 0.10491 25 4XX -0.02176 26 4YY 0.00210 27 4ZZ 0.00085 28 4XY 0.00774 29 4XZ 0.00455 30 4YZ 0.01184 31 3 C 1S 1.99217 32 2S 0.69930 33 2PX 0.59731 34 2PY 0.74113 35 2PZ 0.72617 36 3S 0.54947 37 3PX 0.43891 38 3PY 0.22154 39 3PZ 0.22094 40 4XX -0.02310 41 4YY -0.00174 42 4ZZ 0.01374 43 4XY 0.00596 44 4XZ 0.00266 45 4YZ 0.01133 46 4 C 1S 1.99290 47 2S 0.68158 48 2PX 0.67602 49 2PY 0.71876 50 2PZ 0.69709 51 3S 0.58253 52 3PX 0.22262 53 3PY 0.28919 54 3PZ 0.23079 55 4XX -0.00480 56 4YY 0.00489 57 4ZZ -0.00568 58 4XY 0.00646 59 4XZ 0.01183 60 4YZ 0.01188 61 5 C 1S 1.99271 62 2S 0.68029 63 2PX 0.69626 64 2PY 0.71126 65 2PZ 0.70125 66 3S 0.59011 67 3PX 0.24955 68 3PY 0.27482 69 3PZ 0.30776 70 4XX -0.00160 71 4YY 0.00074 72 4ZZ -0.00364 73 4XY 0.00624 74 4XZ 0.01012 75 4YZ 0.01119 76 6 C 1S 1.99272 77 2S 0.67993 78 2PX 0.70429 79 2PY 0.68959 80 2PZ 0.71549 81 3S 0.59037 82 3PX 0.24839 83 3PY 0.23915 84 3PZ 0.34673 85 4XX -0.00146 86 4YY -0.00658 87 4ZZ 0.00840 88 4XY 0.01091 89 4XZ 0.00583 90 4YZ 0.00598 91 7 C 1S 1.99297 92 2S 0.68047 93 2PX 0.67107 94 2PY 0.71756 95 2PZ 0.70532 96 3S 0.59679 97 3PX 0.22325 98 3PY 0.28504 99 3PZ 0.24917 100 4XX -0.00398 101 4YY 0.00635 102 4ZZ -0.00151 103 4XY 0.00811 104 4XZ 0.00805 105 4YZ 0.00730 106 8 C 1S 1.99229 107 2S 0.67954 108 2PX 0.69995 109 2PY 0.68078 110 2PZ 0.70408 111 3S 0.60266 112 3PX 0.30802 113 3PY 0.25354 114 3PZ 0.32292 115 4XX 0.00439 116 4YY -0.00469 117 4ZZ 0.00742 118 4XY 0.00867 119 4XZ 0.00355 120 4YZ 0.00566 121 9 C 1S 1.99228 122 2S 0.67979 123 2PX 0.69515 124 2PY 0.69161 125 2PZ 0.69773 126 3S 0.60157 127 3PX 0.29232 128 3PY 0.28644 129 3PZ 0.30392 130 4XX 0.00037 131 4YY -0.00034 132 4ZZ -0.00172 133 4XY 0.00555 134 4XZ 0.00949 135 4YZ 0.01162 136 10 H 1S 0.52544 137 2S 0.34101 138 11 H 1S 0.52360 139 2S 0.32796 140 12 H 1S 0.52377 141 2S 0.32819 142 13 H 1S 0.52513 143 2S 0.33975 144 14 H 1S 0.52416 145 2S 0.32693 146 15 C 1S 1.99235 147 2S 0.73106 148 2PX 0.64628 149 2PY 0.74529 150 2PZ 0.53701 151 3S 0.28585 152 3PX 0.15574 153 3PY -0.02759 154 3PZ 0.22243 155 4XX -0.00932 156 4YY 0.01665 157 4ZZ -0.02227 158 4XY 0.04779 159 4XZ 0.00901 160 4YZ 0.02971 161 16 O 1S 1.99220 162 2S 0.90369 163 2PX 1.02505 164 2PY 0.89706 165 2PZ 1.01280 166 3S 0.99389 167 3PX 0.55655 168 3PY 0.42389 169 3PZ 0.60753 170 4XX -0.00699 171 4YY 0.00813 172 4ZZ -0.00851 173 4XY 0.00993 174 4XZ 0.00654 175 4YZ 0.00397 176 17 C 1S 1.99234 177 2S 0.73113 178 2PX 0.68040 179 2PY 0.63407 180 2PZ 0.61405 181 3S 0.28592 182 3PX 0.16400 183 3PY 0.03417 184 3PZ 0.15335 185 4XX -0.00363 186 4YY 0.01628 187 4ZZ -0.00832 188 4XY 0.02521 189 4XZ 0.01804 190 4YZ 0.02391 191 18 O 1S 1.99243 192 2S 0.90839 193 2PX 1.00909 194 2PY 0.97883 195 2PZ 0.87554 196 3S 1.05393 197 3PX 0.58496 198 3PY 0.54814 199 3PZ 0.49854 200 4XX -0.01132 201 4YY -0.00803 202 4ZZ -0.00494 203 4XY 0.00593 204 4XZ 0.00450 205 4YZ 0.00727 206 19 O 1S 1.99243 207 2S 0.90739 208 2PX 1.04958 209 2PY 0.91610 210 2PZ 0.89845 211 3S 1.05867 212 3PX 0.63274 213 3PY 0.42813 214 3PZ 0.57109 215 4XX -0.01436 216 4YY 0.00024 217 4ZZ -0.01142 218 4XY 0.00807 219 4XZ 0.00021 220 4YZ 0.01006 221 20 H 1S 0.51924 222 2S 0.30508 223 21 H 1S 0.51946 224 2S 0.30571 225 22 H 1S 0.52419 226 2S 0.32605 227 23 H 1S 0.52325 228 2S 0.33964 229 24 H 1S 0.51628 230 2S 0.30823 231 25 H 1S 0.51919 232 2S 0.32775 233 26 H 1S 0.51949 234 2S 0.32425 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.188246 0.378792 -0.062222 0.006970 -0.000092 0.002772 2 C 0.378792 4.718959 0.675090 -0.034770 -0.035781 -0.027814 3 C -0.062222 0.675090 5.079968 0.361389 -0.039456 -0.033152 4 C 0.006970 -0.034770 0.361389 4.928236 0.343558 -0.038642 5 C -0.000092 -0.035781 -0.039456 0.343558 5.461057 0.243469 6 C 0.002772 -0.027814 -0.033152 -0.038642 0.243469 5.462043 7 C -0.059675 0.377380 -0.060872 0.000640 -0.037337 0.330724 8 C 0.002455 -0.032028 -0.030096 -0.038796 -0.022964 -0.038601 9 C -0.000004 -0.032158 -0.042806 0.370612 -0.042533 -0.022918 10 H 0.000014 0.001114 0.005325 -0.035176 -0.005465 0.001501 11 H -0.000021 0.001500 -0.003375 -0.030509 0.004913 0.000259 12 H 0.000747 -0.004670 0.001659 0.001453 0.000249 0.004893 13 H -0.000181 0.004853 0.001129 0.000993 0.001566 -0.006172 14 H -0.006984 -0.040805 0.007030 -0.000416 0.005513 -0.039376 15 C 0.001250 0.001592 0.002437 0.001396 -0.045704 0.297497 16 O -0.000005 -0.000560 -0.001104 0.001394 -0.098902 -0.099637 17 C 0.000011 0.001677 0.002237 -0.028117 0.297605 -0.044558 18 O 0.000001 -0.000063 -0.001085 0.002285 -0.083831 0.003626 19 O -0.001306 -0.001076 -0.000034 -0.000006 0.003663 -0.084338 20 H -0.000209 0.004213 0.001278 0.001773 -0.026953 0.340435 21 H 0.000015 0.001244 0.004682 -0.022899 0.340779 -0.027328 22 H -0.000136 0.005686 -0.032362 0.369671 -0.039844 0.005582 23 H -0.010733 -0.042035 0.362621 -0.044711 0.003500 -0.000258 24 H 0.359363 -0.029152 0.000255 -0.000198 0.000082 -0.000155 25 H 0.357977 -0.031616 0.000556 -0.000191 -0.000029 0.000071 26 H 0.363108 -0.029898 -0.003296 0.000099 -0.000002 -0.000174 7 8 9 10 11 12 1 C -0.059675 0.002455 -0.000004 0.000014 -0.000021 0.000747 2 C 0.377380 -0.032028 -0.032158 0.001114 0.001500 -0.004670 3 C -0.060872 -0.030096 -0.042806 0.005325 -0.003375 0.001659 4 C 0.000640 -0.038796 0.370612 -0.035176 -0.030509 0.001453 5 C -0.037337 -0.022964 -0.042533 -0.005465 0.004913 0.000249 6 C 0.330724 -0.038601 -0.022918 0.001501 0.000259 0.004893 7 C 5.002627 0.359980 -0.037673 0.000915 0.001438 -0.031769 8 C 0.359980 5.087878 0.345702 -0.033105 -0.031092 0.370862 9 C -0.037673 0.345702 5.090824 0.358160 0.369742 -0.031203 10 H 0.000915 -0.033105 0.358160 0.609995 -0.033954 0.004074 11 H 0.001438 -0.031092 0.369742 -0.033954 0.581247 -0.010636 12 H -0.031769 0.370862 -0.031203 0.004074 -0.010636 0.582845 13 H -0.033625 0.358618 -0.033490 -0.008651 0.004186 -0.034296 14 H 0.370630 -0.034696 0.004945 -0.000146 -0.000124 -0.002403 15 C -0.028849 0.004331 -0.000025 -0.000015 0.000009 -0.000100 16 O 0.001367 -0.000099 -0.000102 0.000001 0.000001 0.000001 17 C 0.001229 -0.000074 0.004289 0.000052 -0.000099 0.000010 18 O -0.000001 -0.000006 0.000116 0.000001 0.000000 0.000000 19 O 0.002680 0.000118 -0.000006 0.000000 0.000000 0.000000 20 H -0.022491 -0.005137 0.000406 -0.000514 0.000010 0.000010 21 H 0.001605 0.000339 -0.004763 0.004446 -0.000002 0.000014 22 H -0.000109 0.005029 -0.034784 -0.001943 -0.002453 -0.000125 23 H 0.006414 -0.000178 0.003389 -0.000173 0.000538 -0.000023 24 H -0.001472 0.000073 -0.000021 0.000001 0.000001 -0.000011 25 H -0.002057 0.000415 0.000052 -0.000003 -0.000014 0.000414 26 H 0.004268 -0.000152 0.000002 -0.000000 0.000000 -0.000040 13 14 15 16 17 18 1 C -0.000181 -0.006984 0.001250 -0.000005 0.000011 0.000001 2 C 0.004853 -0.040805 0.001592 -0.000560 0.001677 -0.000063 3 C 0.001129 0.007030 0.002437 -0.001104 0.002237 -0.001085 4 C 0.000993 -0.000416 0.001396 0.001394 -0.028117 0.002285 5 C 0.001566 0.005513 -0.045704 -0.098902 0.297605 -0.083831 6 C -0.006172 -0.039376 0.297497 -0.099637 -0.044558 0.003626 7 C -0.033625 0.370630 -0.028849 0.001367 0.001229 -0.000001 8 C 0.358618 -0.034696 0.004331 -0.000099 -0.000074 -0.000006 9 C -0.033490 0.004945 -0.000025 -0.000102 0.004289 0.000116 10 H -0.008651 -0.000146 -0.000015 0.000001 0.000052 0.000001 11 H 0.004186 -0.000124 0.000009 0.000001 -0.000099 0.000000 12 H -0.034296 -0.002403 -0.000100 0.000001 0.000010 0.000000 13 H 0.607842 -0.001845 0.000033 0.000001 -0.000012 0.000000 14 H -0.001845 0.586974 -0.003733 0.000111 -0.000089 0.000001 15 C 0.000033 -0.003733 4.365114 0.228094 -0.023235 -0.000301 16 O 0.000001 0.000111 0.228094 8.281189 0.225126 -0.056632 17 C -0.000012 -0.000089 -0.023235 0.225126 4.359448 0.590797 18 O 0.000000 0.000001 -0.000301 -0.056632 0.590797 7.984520 19 O 0.000001 0.005022 0.582846 -0.056789 -0.000303 -0.000018 20 H 0.004562 -0.001963 -0.026802 0.001082 0.003383 -0.000064 21 H -0.000487 -0.000142 0.003499 0.001125 -0.026178 -0.000996 22 H -0.000137 0.000006 -0.000090 0.000117 -0.003240 0.005047 23 H 0.000020 -0.000111 -0.000029 -0.000015 0.000998 -0.000148 24 H 0.000007 0.001650 0.000785 -0.000017 -0.000040 0.000001 25 H -0.000039 0.001972 0.000010 -0.000001 0.000002 -0.000000 26 H 0.000003 0.000071 -0.000040 0.000002 0.000002 -0.000000 19 20 21 22 23 24 1 C -0.001306 -0.000209 0.000015 -0.000136 -0.010733 0.359363 2 C -0.001076 0.004213 0.001244 0.005686 -0.042035 -0.029152 3 C -0.000034 0.001278 0.004682 -0.032362 0.362621 0.000255 4 C -0.000006 0.001773 -0.022899 0.369671 -0.044711 -0.000198 5 C 0.003663 -0.026953 0.340779 -0.039844 0.003500 0.000082 6 C -0.084338 0.340435 -0.027328 0.005582 -0.000258 -0.000155 7 C 0.002680 -0.022491 0.001605 -0.000109 0.006414 -0.001472 8 C 0.000118 -0.005137 0.000339 0.005029 -0.000178 0.000073 9 C -0.000006 0.000406 -0.004763 -0.034784 0.003389 -0.000021 10 H 0.000000 -0.000514 0.004446 -0.001943 -0.000173 0.000001 11 H 0.000000 0.000010 -0.000002 -0.002453 0.000538 0.000001 12 H 0.000000 0.000010 0.000014 -0.000125 -0.000023 -0.000011 13 H 0.000001 0.004562 -0.000487 -0.000137 0.000020 0.000007 14 H 0.005022 -0.001963 -0.000142 0.000006 -0.000111 0.001650 15 C 0.582846 -0.026802 0.003499 -0.000090 -0.000029 0.000785 16 O -0.056789 0.001082 0.001125 0.000117 -0.000015 -0.000017 17 C -0.000303 0.003383 -0.026178 -0.003240 0.000998 -0.000040 18 O -0.000018 -0.000064 -0.000996 0.005047 -0.000148 0.000001 19 O 7.994518 -0.000818 -0.000060 0.000001 0.000001 0.003266 20 H -0.000818 0.558836 -0.006587 -0.000136 0.000021 -0.000021 21 H -0.000060 -0.006587 0.559147 -0.002105 -0.000171 -0.000003 22 H 0.000001 -0.000136 -0.002105 0.582065 -0.005502 0.000002 23 H 0.000001 0.000021 -0.000171 -0.005502 0.583304 0.000101 24 H 0.003266 -0.000021 -0.000003 0.000002 0.000101 0.546639 25 H 0.000014 0.000008 0.000000 0.000003 0.000119 -0.030550 26 H 0.000012 0.000003 -0.000000 -0.000005 0.005951 -0.026077 25 26 1 C 0.357977 0.363108 2 C -0.031616 -0.029898 3 C 0.000556 -0.003296 4 C -0.000191 0.000099 5 C -0.000029 -0.000002 6 C 0.000071 -0.000174 7 C -0.002057 0.004268 8 C 0.000415 -0.000152 9 C 0.000052 0.000002 10 H -0.000003 -0.000000 11 H -0.000014 0.000000 12 H 0.000414 -0.000040 13 H -0.000039 0.000003 14 H 0.001972 0.000071 15 C 0.000010 -0.000040 16 O -0.000001 0.000002 17 C 0.000002 0.000002 18 O -0.000000 -0.000000 19 O 0.000014 0.000012 20 H 0.000008 0.000003 21 H 0.000000 -0.000000 22 H 0.000003 -0.000005 23 H 0.000119 0.005951 24 H -0.030550 -0.026077 25 H 0.577763 -0.027933 26 H -0.027933 0.557833 Mulliken charges: 1 1 C -0.520152 2 C 0.170325 3 C -0.195795 4 C -0.116038 5 C -0.227061 6 C -0.229750 7 C -0.145967 8 C -0.268776 9 C -0.265752 10 H 0.133546 11 H 0.148435 12 H 0.148047 13 H 0.135120 14 H 0.148909 15 C 0.640030 16 O -0.425750 17 C 0.639078 18 O -0.443250 19 O -0.447389 20 H 0.175677 21 H 0.174827 22 H 0.149765 23 H 0.137110 24 H 0.175491 25 H 0.153058 26 H 0.156263 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.035340 2 C 0.170325 3 C -0.058685 4 C 0.033727 5 C -0.052234 6 C -0.054073 7 C 0.002942 8 C 0.014391 9 C 0.016229 15 C 0.640030 16 O -0.425750 17 C 0.639078 18 O -0.443250 19 O -0.447389 Electronic spatial extent (au): = 2165.4055 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= -3.9101 Y= -1.2566 Z= -1.7363 Tot= 4.4590 Quadrupole moment (field-independent basis, Debye-Ang): XX= -88.0852 YY= -87.6102 ZZ= -77.8017 XY= -1.1060 XZ= -4.0691 YZ= 4.9979 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -3.5862 YY= -3.1112 ZZ= 6.6974 XY= -1.1060 XZ= -4.0691 YZ= 4.9979 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -4.0917 YYY= -10.7216 ZZZ= -1.1100 XYY= -14.9339 XXY= 5.9341 XXZ= -10.5019 XZZ= 4.1207 YZZ= 1.5421 YYZ= 1.8558 XYZ= 9.9689 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1306.9315 YYYY= -997.6574 ZZZZ= -535.3528 XXXY= 8.5388 XXXZ= -21.1815 YYYX= -14.2466 YYYZ= 12.3247 ZZZX= -6.6246 ZZZY= -9.6173 XXYY= -401.9850 XXZZ= -314.0587 YYZZ= -255.6961 XXYZ= 15.0187 YYXZ= -5.0840 ZZXY= 4.8820 N-N= 9.501035808911D+02 E-N=-3.418094288223D+03 KE= 6.459989056531D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.231188 29.021979 2 O -19.161877 29.026050 3 O -19.159769 29.026075 4 O -10.339983 15.888275 5 O -10.338332 15.888216 6 O -10.226185 15.886920 7 O -10.224699 15.887981 8 O -10.215496 15.891189 9 O -10.214037 15.890996 10 O -10.204295 15.886496 11 O -10.202636 15.887172 12 O -10.200134 15.882274 13 O -10.193629 15.883394 14 O -10.188554 15.882448 15 O -1.155456 2.470234 16 O -1.065997 2.677639 17 O -1.036208 2.825113 18 O -0.897782 1.346922 19 O -0.801062 1.545366 20 O -0.783768 1.484410 21 O -0.768488 1.462647 22 O -0.706780 1.981187 23 O -0.692676 1.589601 24 O -0.641579 1.601176 25 O -0.628886 1.489502 26 O -0.587536 1.377400 27 O -0.572124 1.445364 28 O -0.534568 1.115875 29 O -0.507921 1.360410 30 O -0.494972 1.573489 31 O -0.482290 2.190667 32 O -0.463258 1.355372 33 O -0.461655 1.899593 34 O -0.449842 1.540126 35 O -0.432762 1.795534 36 O -0.427634 1.250844 37 O -0.420998 1.356220 38 O -0.415497 1.237292 39 O -0.410787 1.246834 40 O -0.404793 1.411288 41 O -0.395272 1.362329 42 O -0.374882 1.853498 43 O -0.368361 1.394340 44 O -0.364858 1.306035 45 O -0.339860 1.519020 46 O -0.332939 2.263953 47 O -0.327894 1.575146 48 O -0.308686 1.414949 49 O -0.298019 2.198893 50 O -0.277579 2.412232 51 O -0.250849 1.239490 52 V -0.031075 2.110267 53 V -0.008519 2.010921 54 V 0.010150 1.434646 55 V 0.061429 1.072355 56 V 0.089550 1.001583 57 V 0.108649 0.991266 58 V 0.111710 1.029462 59 V 0.118705 1.149011 60 V 0.132649 1.173000 61 V 0.143644 1.315533 62 V 0.150364 1.355747 63 V 0.153810 1.047724 64 V 0.159757 2.286588 65 V 0.164343 1.482833 66 V 0.166593 1.619882 67 V 0.184043 1.645546 68 V 0.195845 1.485705 69 V 0.202803 1.434065 70 V 0.211064 1.385430 71 V 0.216009 1.601115 72 V 0.227244 1.384697 73 V 0.245353 1.853097 74 V 0.249661 2.187472 75 V 0.278370 2.181674 76 V 0.296956 1.853002 77 V 0.326852 1.713059 78 V 0.336481 1.960084 79 V 0.358032 2.006945 80 V 0.390585 2.278667 81 V 0.413733 2.923126 82 V 0.423917 1.698198 83 V 0.445557 1.999771 84 V 0.486794 1.980372 85 V 0.494338 2.013669 86 V 0.517275 1.967129 87 V 0.526697 1.923597 88 V 0.546498 2.065789 89 V 0.555634 2.197532 90 V 0.576029 2.140322 91 V 0.579542 2.320125 92 V 0.591307 2.533956 93 V 0.600107 2.422383 94 V 0.609557 2.479337 95 V 0.619718 2.740099 96 V 0.634550 2.824968 97 V 0.644560 2.379517 98 V 0.647512 2.623677 99 V 0.659992 2.684452 100 V 0.679711 2.678699 101 V 0.686226 2.241444 102 V 0.707806 2.503921 103 V 0.717206 2.366023 104 V 0.726846 2.191753 105 V 0.733655 2.313717 106 V 0.761500 2.282548 107 V 0.776270 2.255692 108 V 0.794691 2.478946 109 V 0.800124 2.651448 110 V 0.812518 2.437625 111 V 0.818862 2.580769 112 V 0.826089 2.632336 113 V 0.835220 2.630972 114 V 0.838695 2.432549 115 V 0.848385 2.646850 116 V 0.860642 2.621208 117 V 0.865594 2.360537 118 V 0.876731 2.516193 119 V 0.885648 2.672288 120 V 0.893290 2.368133 121 V 0.904674 2.604324 122 V 0.911461 2.536299 123 V 0.927390 2.688699 124 V 0.932207 2.713954 125 V 0.943346 2.561411 126 V 0.966092 2.663746 127 V 0.974682 2.487107 128 V 0.983788 2.776838 129 V 0.995157 2.619206 130 V 1.020840 2.867105 131 V 1.059350 2.924650 132 V 1.064843 2.941169 133 V 1.093226 3.139701 134 V 1.107418 3.014437 135 V 1.167689 2.474321 136 V 1.196830 2.535927 137 V 1.203369 2.463108 138 V 1.217482 2.531334 139 V 1.253343 2.459343 140 V 1.255689 2.448190 141 V 1.313239 2.610915 142 V 1.337566 2.836524 143 V 1.384415 2.658204 144 V 1.387423 2.706962 145 V 1.418002 2.625372 146 V 1.480316 2.749540 147 V 1.488672 2.817961 148 V 1.556820 2.851101 149 V 1.560551 2.828152 150 V 1.604603 2.969966 151 V 1.627059 3.016137 152 V 1.633398 2.865077 153 V 1.666813 3.044212 154 V 1.692615 3.036802 155 V 1.693830 3.026212 156 V 1.714714 3.058461 157 V 1.719241 3.178988 158 V 1.740254 3.109526 159 V 1.748004 3.035182 160 V 1.758393 3.148577 161 V 1.776798 3.140942 162 V 1.779520 3.057902 163 V 1.788955 2.982003 164 V 1.801426 3.005124 165 V 1.825507 3.096095 166 V 1.840963 3.154260 167 V 1.853162 3.213708 168 V 1.871109 3.095270 169 V 1.902627 3.320669 170 V 1.906631 3.321230 171 V 1.927785 3.317739 172 V 1.950557 3.399323 173 V 1.967796 3.408708 174 V 1.977780 3.357857 175 V 1.987880 3.406161 176 V 2.003722 3.451022 177 V 2.011383 3.658139 178 V 2.020122 3.500735 179 V 2.036249 3.408874 180 V 2.059863 3.455688 181 V 2.092229 3.455278 182 V 2.115888 3.531529 183 V 2.122972 3.805072 184 V 2.134052 3.551955 185 V 2.187855 3.565810 186 V 2.203063 3.611575 187 V 2.241568 3.691214 188 V 2.259199 3.725586 189 V 2.283287 3.726189 190 V 2.302005 3.687857 191 V 2.328567 3.816093 192 V 2.358694 3.706820 193 V 2.380252 3.802993 194 V 2.396250 3.922824 195 V 2.415952 3.908422 196 V 2.433320 3.921357 197 V 2.468396 4.009739 198 V 2.475067 4.018026 199 V 2.482737 4.033548 200 V 2.538107 4.035441 201 V 2.542447 4.024066 202 V 2.558053 4.058952 203 V 2.620695 4.239064 204 V 2.658575 4.434157 205 V 2.665582 4.226348 206 V 2.673455 4.510402 207 V 2.689747 4.277962 208 V 2.708006 4.450750 209 V 2.741333 4.297693 210 V 2.750485 4.454566 211 V 2.801977 4.502659 212 V 2.824206 4.599373 213 V 2.846521 4.653406 214 V 2.880396 4.614219 215 V 2.939151 4.780707 216 V 2.966125 4.967717 217 V 2.975679 4.979632 218 V 3.021524 4.772107 219 V 3.143136 5.107818 220 V 3.230746 4.956501 221 V 3.999566 10.654702 222 V 4.083147 10.133164 223 V 4.151625 10.248061 224 V 4.200826 10.346036 225 V 4.241563 10.351294 226 V 4.345041 10.912041 227 V 4.444627 10.577177 228 V 4.451449 11.077642 229 V 4.499184 11.053428 230 V 4.552430 11.046032 231 V 4.576396 10.658836 232 V 4.661906 10.718241 233 V 4.861783 11.616440 234 V 4.974007 11.801163 Total kinetic energy from orbitals= 6.459989056531D+02 ******************************Gaussian NBO Version 3.1****************************** 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 ******************************Gaussian NBO Version 3.1****************************** /RESON / : Allow strongly delocalized NBO set /AOPNAO / : Write the AO to PNAO transformation to LFN 32 /AOPNHO / : Write the AO to PNHO transformation to LFN 34 /AOPNBO / : Write the AO to PNBO transformation to LFN 36 /DMNAO / : Write the NAO density matrix to LFN 82 /DMNHO / : Write the NHO density matrix to LFN 84 /DMNBO / : Write the NBO density matrix to LFN 86 /FNAO / : Write the NAO Fock matrix to LFN 92 /FNHO / : Write the NHO Fock matrix to LFN 94 /FNBO / : Write the NBO Fock matrix to LFN 96 /FILE / : Set to NBODATA Analyzing the SCF density Job title: C11H12O3 Storage needed: 166556 in NPA, 220417 in NBO ( 104853960 available) NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 C 1 S Cor( 1S) 1.99933 -10.06096 2 C 1 S Val( 2S) 1.10097 -0.26547 3 C 1 S Ryd( 3S) 0.00039 1.31791 4 C 1 S Ryd( 4S) 0.00000 4.20619 5 C 1 px Val( 2p) 1.23614 -0.09550 6 C 1 px Ryd( 3p) 0.00061 0.64309 7 C 1 py Val( 2p) 1.14131 -0.08360 8 C 1 py Ryd( 3p) 0.00173 0.55484 9 C 1 pz Val( 2p) 1.20694 -0.09123 10 C 1 pz Ryd( 3p) 0.00248 0.64370 11 C 1 dxy Ryd( 3d) 0.00096 2.11197 12 C 1 dxz Ryd( 3d) 0.00029 1.86647 13 C 1 dyz Ryd( 3d) 0.00053 2.12603 14 C 1 dx2y2 Ryd( 3d) 0.00052 2.07297 15 C 1 dz2 Ryd( 3d) 0.00102 2.21336 16 C 2 S Cor( 1S) 1.99894 -10.04545 17 C 2 S Val( 2S) 0.88212 -0.15366 18 C 2 S Ryd( 3S) 0.00206 1.14782 19 C 2 S Ryd( 4S) 0.00005 4.36708 20 C 2 px Val( 2p) 0.99355 -0.10149 21 C 2 px Ryd( 3p) 0.00372 0.76862 22 C 2 py Val( 2p) 1.09278 -0.05978 23 C 2 py Ryd( 3p) 0.00424 1.00444 24 C 2 pz Val( 2p) 1.04214 -0.05090 25 C 2 pz Ryd( 3p) 0.00511 1.01950 26 C 2 dxy Ryd( 3d) 0.00086 2.05625 27 C 2 dxz Ryd( 3d) 0.00042 1.96121 28 C 2 dyz Ryd( 3d) 0.00066 2.40631 29 C 2 dx2y2 Ryd( 3d) 0.00052 2.33078 30 C 2 dz2 Ryd( 3d) 0.00079 2.32512 31 C 3 S Cor( 1S) 1.99884 -10.03516 32 C 3 S Val( 2S) 0.95535 -0.17129 33 C 3 S Ryd( 3S) 0.00138 1.18496 34 C 3 S Ryd( 4S) 0.00006 4.33411 35 C 3 px Val( 2p) 1.03494 -0.10626 36 C 3 px Ryd( 3p) 0.00238 0.66459 37 C 3 py Val( 2p) 1.05095 -0.04667 38 C 3 py Ryd( 3p) 0.00420 0.68530 39 C 3 pz Val( 2p) 1.18390 -0.05974 40 C 3 pz Ryd( 3p) 0.00507 1.15066 41 C 3 dxy Ryd( 3d) 0.00067 2.05344 42 C 3 dxz Ryd( 3d) 0.00036 1.93479 43 C 3 dyz Ryd( 3d) 0.00070 2.36291 44 C 3 dx2y2 Ryd( 3d) 0.00045 2.29641 45 C 3 dz2 Ryd( 3d) 0.00086 2.27538 46 C 4 S Cor( 1S) 1.99914 -10.06875 47 C 4 S Val( 2S) 0.96762 -0.22474 48 C 4 S Ryd( 3S) 0.00065 1.89511 49 C 4 S Ryd( 4S) 0.00003 4.28166 50 C 4 px Val( 2p) 1.02631 -0.09416 51 C 4 px Ryd( 3p) 0.00237 0.72327 52 C 4 py Val( 2p) 1.19328 -0.10275 53 C 4 py Ryd( 3p) 0.00623 1.02630 54 C 4 pz Val( 2p) 1.07694 -0.09688 55 C 4 pz Ryd( 3p) 0.00494 0.84149 56 C 4 dxy Ryd( 3d) 0.00059 2.03511 57 C 4 dxz Ryd( 3d) 0.00090 2.26978 58 C 4 dyz Ryd( 3d) 0.00103 2.26093 59 C 4 dx2y2 Ryd( 3d) 0.00091 2.22269 60 C 4 dz2 Ryd( 3d) 0.00040 1.98068 61 C 5 S Cor( 1S) 1.99906 -10.07959 62 C 5 S Val( 2S) 0.99283 -0.25188 63 C 5 S Ryd( 3S) 0.00096 1.74678 64 C 5 S Ryd( 4S) 0.00004 4.31315 65 C 5 px Val( 2p) 1.08513 -0.12542 66 C 5 px Ryd( 3p) 0.00260 0.77795 67 C 5 py Val( 2p) 1.12759 -0.11624 68 C 5 py Ryd( 3p) 0.00465 0.84898 69 C 5 pz Val( 2p) 1.14749 -0.12447 70 C 5 pz Ryd( 3p) 0.00421 0.92098 71 C 5 dxy Ryd( 3d) 0.00055 2.12926 72 C 5 dxz Ryd( 3d) 0.00087 2.31489 73 C 5 dyz Ryd( 3d) 0.00098 2.20271 74 C 5 dx2y2 Ryd( 3d) 0.00085 2.25393 75 C 5 dz2 Ryd( 3d) 0.00049 2.04567 76 C 6 S Cor( 1S) 1.99906 -10.08100 77 C 6 S Val( 2S) 0.99154 -0.25266 78 C 6 S Ryd( 3S) 0.00094 1.75719 79 C 6 S Ryd( 4S) 0.00004 4.31858 80 C 6 px Val( 2p) 1.08223 -0.12351 81 C 6 px Ryd( 3p) 0.00251 0.76703 82 C 6 py Val( 2p) 1.04482 -0.11661 83 C 6 py Ryd( 3p) 0.00387 0.79087 84 C 6 pz Val( 2p) 1.23318 -0.13009 85 C 6 pz Ryd( 3p) 0.00531 1.00608 86 C 6 dxy Ryd( 3d) 0.00088 2.25745 87 C 6 dxz Ryd( 3d) 0.00061 2.11235 88 C 6 dyz Ryd( 3d) 0.00051 2.10383 89 C 6 dx2y2 Ryd( 3d) 0.00063 2.25771 90 C 6 dz2 Ryd( 3d) 0.00111 2.21639 91 C 7 S Cor( 1S) 1.99908 -10.06733 92 C 7 S Val( 2S) 0.96164 -0.22179 93 C 7 S Ryd( 3S) 0.00071 1.92723 94 C 7 S Ryd( 4S) 0.00003 4.27722 95 C 7 px Val( 2p) 1.02101 -0.09779 96 C 7 px Ryd( 3p) 0.00246 0.71784 97 C 7 py Val( 2p) 1.20448 -0.10996 98 C 7 py Ryd( 3p) 0.00639 1.12690 99 C 7 pz Val( 2p) 1.07152 -0.09496 100 C 7 pz Ryd( 3p) 0.00367 0.75839 101 C 7 dxy Ryd( 3d) 0.00067 2.19392 102 C 7 dxz Ryd( 3d) 0.00064 2.05256 103 C 7 dyz Ryd( 3d) 0.00064 2.09856 104 C 7 dx2y2 Ryd( 3d) 0.00089 2.16606 105 C 7 dz2 Ryd( 3d) 0.00097 2.31872 106 C 8 S Cor( 1S) 1.99930 -10.06780 107 C 8 S Val( 2S) 1.03795 -0.25529 108 C 8 S Ryd( 3S) 0.00074 1.56372 109 C 8 S Ryd( 4S) 0.00002 4.25137 110 C 8 px Val( 2p) 1.16656 -0.09555 111 C 8 px Ryd( 3p) 0.00337 0.76362 112 C 8 py Val( 2p) 1.03595 -0.08519 113 C 8 py Ryd( 3p) 0.00240 0.65371 114 C 8 pz Val( 2p) 1.20673 -0.09869 115 C 8 pz Ryd( 3p) 0.00361 0.84726 116 C 8 dxy Ryd( 3d) 0.00072 2.14919 117 C 8 dxz Ryd( 3d) 0.00037 2.01254 118 C 8 dyz Ryd( 3d) 0.00050 2.03355 119 C 8 dx2y2 Ryd( 3d) 0.00077 2.14384 120 C 8 dz2 Ryd( 3d) 0.00123 2.20455 121 C 9 S Cor( 1S) 1.99929 -10.06618 122 C 9 S Val( 2S) 1.03925 -0.25429 123 C 9 S Ryd( 3S) 0.00076 1.55279 124 C 9 S Ryd( 4S) 0.00002 4.24921 125 C 9 px Val( 2p) 1.13002 -0.09075 126 C 9 px Ryd( 3p) 0.00315 0.75325 127 C 9 py Val( 2p) 1.11793 -0.08995 128 C 9 py Ryd( 3p) 0.00245 0.65827 129 C 9 pz Val( 2p) 1.16142 -0.09414 130 C 9 pz Ryd( 3p) 0.00363 0.83659 131 C 9 dxy Ryd( 3d) 0.00046 2.00831 132 C 9 dxz Ryd( 3d) 0.00087 2.20207 133 C 9 dyz Ryd( 3d) 0.00106 2.18450 134 C 9 dx2y2 Ryd( 3d) 0.00079 2.19650 135 C 9 dz2 Ryd( 3d) 0.00040 1.94628 136 H 10 S Val( 1S) 0.75981 0.06731 137 H 10 S Ryd( 2S) 0.00131 0.65527 138 H 11 S Val( 1S) 0.74600 0.07603 139 H 11 S Ryd( 2S) 0.00104 0.64651 140 H 12 S Val( 1S) 0.74739 0.07338 141 H 12 S Ryd( 2S) 0.00100 0.64853 142 H 13 S Val( 1S) 0.75794 0.06679 143 H 13 S Ryd( 2S) 0.00129 0.65341 144 H 14 S Val( 1S) 0.72198 0.08583 145 H 14 S Ryd( 2S) 0.00179 0.64234 146 C 15 S Cor( 1S) 1.99929 -10.22237 147 C 15 S Val( 2S) 0.77788 -0.18270 148 C 15 S Ryd( 3S) 0.00708 1.32707 149 C 15 S Ryd( 4S) 0.00047 3.59718 150 C 15 px Val( 2p) 0.81115 -0.07397 151 C 15 px Ryd( 3p) 0.00791 0.69252 152 C 15 py Val( 2p) 0.75896 -0.00416 153 C 15 py Ryd( 3p) 0.01739 0.77924 154 C 15 pz Val( 2p) 0.76141 -0.12323 155 C 15 pz Ryd( 3p) 0.00361 0.63338 156 C 15 dxy Ryd( 3d) 0.00318 2.61710 157 C 15 dxz Ryd( 3d) 0.00066 2.26434 158 C 15 dyz Ryd( 3d) 0.00215 2.43223 159 C 15 dx2y2 Ryd( 3d) 0.00136 2.54869 160 C 15 dz2 Ryd( 3d) 0.00083 2.29786 161 O 16 S Cor( 1S) 1.99966 -19.01246 162 O 16 S Val( 2S) 1.62034 -0.92508 163 O 16 S Ryd( 3S) 0.00153 1.91220 164 O 16 S Ryd( 4S) 0.00007 3.97719 165 O 16 px Val( 2p) 1.72919 -0.37686 166 O 16 px Ryd( 3p) 0.00154 1.18342 167 O 16 py Val( 2p) 1.48065 -0.35773 168 O 16 py Ryd( 3p) 0.00068 1.45327 169 O 16 pz Val( 2p) 1.68076 -0.35466 170 O 16 pz Ryd( 3p) 0.00101 1.14858 171 O 16 dxy Ryd( 3d) 0.00388 2.16284 172 O 16 dxz Ryd( 3d) 0.00381 1.92494 173 O 16 dyz Ryd( 3d) 0.00110 1.96733 174 O 16 dx2y2 Ryd( 3d) 0.00333 1.99867 175 O 16 dz2 Ryd( 3d) 0.00213 1.91705 176 C 17 S Cor( 1S) 1.99929 -10.22086 177 C 17 S Val( 2S) 0.77745 -0.18097 178 C 17 S Ryd( 3S) 0.00705 1.31781 179 C 17 S Ryd( 4S) 0.00046 3.58977 180 C 17 px Val( 2p) 0.85061 -0.07923 181 C 17 px Ryd( 3p) 0.00991 0.67840 182 C 17 py Val( 2p) 0.69438 -0.02624 183 C 17 py Ryd( 3p) 0.01016 0.75735 184 C 17 pz Val( 2p) 0.78664 -0.09033 185 C 17 pz Ryd( 3p) 0.00884 0.66069 186 C 17 dxy Ryd( 3d) 0.00168 2.42877 187 C 17 dxz Ryd( 3d) 0.00127 2.40823 188 C 17 dyz Ryd( 3d) 0.00146 2.52656 189 C 17 dx2y2 Ryd( 3d) 0.00228 2.49135 190 C 17 dz2 Ryd( 3d) 0.00147 2.30492 191 O 18 S Cor( 1S) 1.99979 -18.89203 192 O 18 S Val( 2S) 1.70008 -0.90614 193 O 18 S Ryd( 3S) 0.00084 2.16878 194 O 18 S Ryd( 4S) 0.00007 3.48677 195 O 18 px Val( 2p) 1.67773 -0.27334 196 O 18 px Ryd( 3p) 0.00105 1.16671 197 O 18 py Val( 2p) 1.65511 -0.28996 198 O 18 py Ryd( 3p) 0.00102 1.20177 199 O 18 pz Val( 2p) 1.48731 -0.28148 200 O 18 pz Ryd( 3p) 0.00042 1.17660 201 O 18 dxy Ryd( 3d) 0.00298 2.01661 202 O 18 dxz Ryd( 3d) 0.00263 2.02396 203 O 18 dyz Ryd( 3d) 0.00374 2.21972 204 O 18 dx2y2 Ryd( 3d) 0.00298 1.95968 205 O 18 dz2 Ryd( 3d) 0.00355 1.87188 206 O 19 S Cor( 1S) 1.99978 -18.89412 207 O 19 S Val( 2S) 1.69972 -0.90833 208 O 19 S Ryd( 3S) 0.00083 2.17799 209 O 19 S Ryd( 4S) 0.00008 3.47896 210 O 19 px Val( 2p) 1.73635 -0.26749 211 O 19 px Ryd( 3p) 0.00144 1.13211 212 O 19 py Val( 2p) 1.58283 -0.32285 213 O 19 py Ryd( 3p) 0.00030 1.35068 214 O 19 pz Val( 2p) 1.50524 -0.26197 215 O 19 pz Ryd( 3p) 0.00073 1.07283 216 O 19 dxy Ryd( 3d) 0.00483 1.99366 217 O 19 dxz Ryd( 3d) 0.00011 1.81504 218 O 19 dyz Ryd( 3d) 0.00481 1.93143 219 O 19 dx2y2 Ryd( 3d) 0.00465 2.35358 220 O 19 dz2 Ryd( 3d) 0.00149 1.98819 221 H 20 S Val( 1S) 0.71321 0.06342 222 H 20 S Ryd( 2S) 0.00141 0.63435 223 H 21 S Val( 1S) 0.71451 0.06414 224 H 21 S Ryd( 2S) 0.00141 0.63577 225 H 22 S Val( 1S) 0.71950 0.09116 226 H 22 S Ryd( 2S) 0.00166 0.63583 227 H 23 S Val( 1S) 0.75276 0.08608 228 H 23 S Ryd( 2S) 0.00096 0.57315 229 H 24 S Val( 1S) 0.74485 0.07505 230 H 24 S Ryd( 2S) 0.00127 0.68611 231 H 25 S Val( 1S) 0.75799 0.06261 232 H 25 S Ryd( 2S) 0.00111 0.66156 233 H 26 S Val( 1S) 0.75570 0.07088 234 H 26 S Ryd( 2S) 0.00092 0.65942 WARNING: 1 low occupancy (<1.9990e) core orbital found on C 2 1 low occupancy (<1.9990e) core orbital found on C 3 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- C 1 -0.69323 1.99933 4.68536 0.00854 6.69323 C 2 -0.02796 1.99894 4.01059 0.01842 6.02796 C 3 -0.24009 1.99884 4.22515 0.01610 6.24009 C 4 -0.28135 1.99914 4.26415 0.01806 6.28135 C 5 -0.36829 1.99906 4.35304 0.01619 6.36829 C 6 -0.36725 1.99906 4.35178 0.01641 6.36725 C 7 -0.27479 1.99908 4.25864 0.01706 6.27479 C 8 -0.46021 1.99930 4.44720 0.01372 6.46021 C 9 -0.46152 1.99929 4.44862 0.01360 6.46152 H 10 0.23887 0.00000 0.75981 0.00131 0.76113 H 11 0.25296 0.00000 0.74600 0.00104 0.74704 H 12 0.25161 0.00000 0.74739 0.00100 0.74839 H 13 0.24077 0.00000 0.75794 0.00129 0.75923 H 14 0.27623 0.00000 0.72198 0.00179 0.72377 C 15 0.84668 1.99929 3.10940 0.04463 5.15332 O 16 -0.52968 1.99966 6.51094 0.01908 8.52968 C 17 0.84704 1.99929 3.10908 0.04459 5.15296 O 18 -0.53931 1.99979 6.52023 0.01930 8.53931 O 19 -0.54321 1.99978 6.52414 0.01929 8.54321 H 20 0.28538 0.00000 0.71321 0.00141 0.71462 H 21 0.28408 0.00000 0.71451 0.00141 0.71592 H 22 0.27884 0.00000 0.71950 0.00166 0.72116 H 23 0.24628 0.00000 0.75276 0.00096 0.75372 H 24 0.25388 0.00000 0.74485 0.00127 0.74612 H 25 0.24089 0.00000 0.75799 0.00111 0.75911 H 26 0.24338 0.00000 0.75570 0.00092 0.75662 ======================================================================= * Total * -0.00000 27.98985 73.70998 0.30017 102.00000 Natural Population -------------------------------------------------------- Core 27.98985 ( 99.9637% of 28) Valence 73.70998 ( 99.6081% of 74) Natural Minimal Basis 101.69983 ( 99.7057% of 102) Natural Rydberg Basis 0.30017 ( 0.2943% of 102) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2S( 1.10)2p( 3.58) C 2 [core]2S( 0.88)2p( 3.13)3p( 0.01) C 3 [core]2S( 0.96)2p( 3.27)3p( 0.01) C 4 [core]2S( 0.97)2p( 3.30)3p( 0.01) C 5 [core]2S( 0.99)2p( 3.36)3p( 0.01) C 6 [core]2S( 0.99)2p( 3.36)3p( 0.01) C 7 [core]2S( 0.96)2p( 3.30)3p( 0.01) C 8 [core]2S( 1.04)2p( 3.41)3p( 0.01) C 9 [core]2S( 1.04)2p( 3.41)3p( 0.01) H 10 1S( 0.76) H 11 1S( 0.75) H 12 1S( 0.75) H 13 1S( 0.76) H 14 1S( 0.72) C 15 [core]2S( 0.78)2p( 2.33)3S( 0.01)3p( 0.03)3d( 0.01) O 16 [core]2S( 1.62)2p( 4.89)3d( 0.01) C 17 [core]2S( 0.78)2p( 2.33)3S( 0.01)3p( 0.03)3d( 0.01) O 18 [core]2S( 1.70)2p( 4.82)3d( 0.02) O 19 [core]2S( 1.70)2p( 4.82)3d( 0.02) H 20 1S( 0.71) H 21 1S( 0.71) H 22 1S( 0.72) H 23 1S( 0.75) H 24 1S( 0.74) H 25 1S( 0.76) H 26 1S( 0.76) NATURAL BOND ORBITAL ANALYSIS: Occupancies Lewis Structure Low High Occ. ------------------- ----------------- occ occ Cycle Thresh. Lewis Non-Lewis CR BD 3C LP (L) (NL) Dev ============================================================================= 1(1) 1.90 100.23971 1.76029 14 32 0 5 4 4 0.13 2(2) 1.90 100.44800 1.55200 14 31 0 6 3 4 0.13 3(3) 1.90 100.44800 1.55200 14 31 0 6 3 4 0.13 4(1) 1.80 100.13603 1.86397 14 31 0 6 1 4 0.83 5(2) 1.80 100.14001 1.85999 14 31 0 6 1 4 0.83 6(3) 1.80 100.56996 1.43004 14 31 0 6 1 4 0.13 7(4) 1.80 100.13603 1.86397 14 31 0 6 1 4 0.83 8(5) 1.80 100.14001 1.85999 14 31 0 6 1 4 0.83 9(6) 1.80 100.56996 1.43004 14 31 0 6 1 4 0.13 10(1) 1.70 100.57463 1.42537 14 31 0 6 0 4 0.13 11(2) 1.70 100.57463 1.42537 14 31 0 6 0 4 0.13 12(1) 1.60 100.57463 1.42537 14 31 0 6 0 4 0.13 13(2) 1.60 100.57463 1.42537 14 31 0 6 0 4 0.13 14(1) 1.50 100.57463 1.42537 14 31 0 6 0 4 0.13 15(2) 1.50 100.57463 1.42537 14 31 0 6 0 4 0.13 16(1) 1.70 100.57463 1.42537 14 31 0 6 0 4 0.13 ----------------------------------------------------------------------------- Structure accepted: RESONANCE keyword permits strongly delocalized structure WARNING: 1 low occupancy (<1.9990e) core orbital found on C 2 1 low occupancy (<1.9990e) core orbital found on C 3 -------------------------------------------------------- Core 27.98987 ( 99.964% of 28) Valence Lewis 72.58476 ( 98.088% of 74) ================== ============================ Total Lewis 100.57463 ( 98.603% of 102) ----------------------------------------------------- Valence non-Lewis 1.23632 ( 1.212% of 102) Rydberg non-Lewis 0.18904 ( 0.185% of 102) ================== ============================ Total non-Lewis 1.42537 ( 1.397% of 102) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.98361) BD ( 1) C 1 - C 2 ( 48.83%) 0.6988* C 1 s( 28.85%)p 2.46( 71.10%)d 0.00( 0.05%) 0.0003 0.5370 -0.0135 0.0004 0.1543 0.0016 -0.7013 -0.0089 -0.4419 -0.0043 -0.0052 -0.0036 0.0172 -0.0114 -0.0017 ( 51.17%) 0.7153* C 2 s( 32.88%)p 2.04( 67.09%)d 0.00( 0.03%) -0.0001 0.5733 -0.0082 -0.0009 -0.1507 -0.0006 0.6772 -0.0013 0.4354 0.0037 -0.0047 -0.0027 0.0129 -0.0102 -0.0010 2. (1.97806) BD ( 1) C 1 - H 24 ( 62.64%) 0.7915* C 1 s( 23.68%)p 3.22( 76.26%)d 0.00( 0.06%) -0.0001 0.4866 0.0044 0.0001 0.5920 -0.0059 0.6159 0.0065 -0.1804 0.0142 0.0196 -0.0080 -0.0074 0.0008 -0.0100 ( 37.36%) 0.6112* H 24 s(100.00%) 1.0000 0.0020 3. (1.97839) BD ( 1) C 1 - H 25 ( 61.98%) 0.7873* C 1 s( 23.36%)p 3.28( 76.58%)d 0.00( 0.06%) 0.0001 -0.4833 -0.0037 0.0001 0.7902 -0.0012 -0.3198 -0.0095 0.1971 -0.0142 0.0124 -0.0111 0.0037 -0.0152 0.0097 ( 38.02%) 0.6166* H 25 s(100.00%) -1.0000 -0.0017 4. (1.98924) BD ( 1) C 1 - H 26 ( 62.17%) 0.7885* C 1 s( 24.11%)p 3.15( 75.83%)d 0.00( 0.06%) -0.0001 0.4910 0.0024 -0.0003 0.0225 -0.0031 -0.1588 0.0170 0.8557 -0.0040 -0.0003 0.0012 -0.0085 -0.0008 0.0225 ( 37.83%) 0.6151* H 26 s(100.00%) 1.0000 0.0008 5. (1.97803) BD ( 1) C 2 - C 3 ( 50.89%) 0.7134* C 2 s( 36.94%)p 1.71( 63.03%)d 0.00( 0.03%) -0.0001 0.6077 -0.0103 0.0018 0.1497 -0.0002 -0.7003 -0.0075 0.3403 0.0387 -0.0064 0.0021 -0.0099 -0.0132 -0.0056 ( 49.11%) 0.7008* C 3 s( 37.54%)p 1.66( 62.42%)d 0.00( 0.04%) 0.0000 0.6125 -0.0117 0.0037 -0.1530 -0.0091 0.7256 0.0346 -0.2691 0.0244 -0.0056 0.0025 -0.0137 -0.0136 -0.0030 6. (1.94044) BD ( 2) C 2 - C 3 ( 48.80%) 0.6986* C 2 s( 0.01%)p 1.00( 99.92%)d 0.00( 0.08%) -0.0000 -0.0028 0.0065 -0.0001 0.9765 -0.0215 0.2121 -0.0023 0.0119 0.0007 -0.0236 0.0084 0.0016 0.0115 -0.0003 ( 51.20%) 0.7156* C 3 s( 0.00%)p 1.00( 99.93%)d 0.00( 0.07%) -0.0000 -0.0036 0.0057 -0.0000 0.9763 -0.0179 0.2135 -0.0049 0.0122 0.0017 0.0214 -0.0129 -0.0026 -0.0087 -0.0007 7. (1.96536) BD ( 1) C 2 - C 7 ( 49.35%) 0.7025* C 2 s( 30.07%)p 2.32( 69.89%)d 0.00( 0.04%) -0.0001 0.5480 0.0179 -0.0009 -0.0038 -0.0108 0.0704 0.0328 -0.8322 0.0142 -0.0012 -0.0011 -0.0006 -0.0024 0.0209 ( 50.65%) 0.7117* C 7 s( 25.62%)p 2.90( 74.33%)d 0.00( 0.05%) 0.0001 0.5061 0.0010 0.0007 -0.0057 -0.0116 0.0153 0.0307 0.8614 0.0055 0.0001 0.0012 -0.0023 0.0005 0.0224 8. (1.97032) BD ( 1) C 3 - C 4 ( 48.77%) 0.6983* C 3 s( 31.42%)p 2.18( 68.54%)d 0.00( 0.05%) -0.0001 0.5604 0.0086 0.0007 0.1464 0.0037 -0.6317 -0.0307 -0.5124 0.0375 -0.0051 -0.0045 0.0167 -0.0094 0.0072 ( 51.23%) 0.7158* C 4 s( 25.29%)p 2.95( 74.65%)d 0.00( 0.05%) 0.0000 0.5029 0.0002 0.0005 -0.1303 -0.0004 0.5935 -0.0222 0.6127 0.0364 -0.0040 -0.0038 0.0193 -0.0104 0.0024 9. (1.98203) BD ( 1) C 3 - H 23 ( 62.52%) 0.7907* C 3 s( 30.93%)p 2.23( 69.03%)d 0.00( 0.05%) -0.0004 0.5561 0.0013 -0.0033 0.0271 0.0007 -0.1612 -0.0037 0.8145 -0.0085 -0.0001 0.0013 -0.0068 -0.0007 0.0208 ( 37.48%) 0.6122* H 23 s(100.00%) 1.0000 0.0028 10. (1.95717) BD ( 1) C 4 - C 5 ( 48.38%) 0.6956* C 4 s( 24.54%)p 3.07( 75.41%)d 0.00( 0.05%) 0.0002 0.4953 -0.0028 0.0016 0.6811 0.0215 0.2301 -0.0344 -0.4854 -0.0012 0.0106 -0.0157 -0.0078 0.0082 -0.0002 ( 51.62%) 0.7184* C 5 s( 27.94%)p 2.58( 72.03%)d 0.00( 0.03%) 0.0001 0.5286 -0.0030 0.0018 -0.6352 0.0101 -0.2744 -0.0285 0.4905 -0.0044 0.0059 -0.0142 -0.0044 0.0069 0.0022 11. (1.96903) BD ( 1) C 4 - C 9 ( 51.05%) 0.7145* C 4 s( 25.41%)p 2.93( 74.55%)d 0.00( 0.04%) -0.0000 0.5041 -0.0001 0.0010 -0.7003 -0.0086 -0.0682 -0.0421 -0.4984 0.0109 -0.0016 0.0170 -0.0013 0.0114 0.0014 ( 48.95%) 0.6996* C 9 s( 26.91%)p 2.71( 73.05%)d 0.00( 0.04%) 0.0004 0.5187 -0.0010 0.0018 0.7001 -0.0016 0.0266 -0.0283 0.4886 0.0107 0.0026 0.0168 0.0012 0.0123 -0.0015 12. (1.97792) BD ( 1) C 4 - H 22 ( 64.12%) 0.8008* C 4 s( 24.56%)p 3.07( 75.39%)d 0.00( 0.06%) 0.0001 -0.4955 -0.0010 0.0022 -0.1652 0.0060 0.7665 -0.0178 -0.3723 0.0086 0.0074 -0.0037 0.0159 0.0149 0.0053 ( 35.88%) 0.5990* H 22 s(100.00%) -1.0000 -0.0034 13. (1.96776) BD ( 1) C 5 - C 6 ( 49.90%) 0.7064* C 5 s( 25.35%)p 2.94( 74.60%)d 0.00( 0.05%) -0.0000 0.5035 -0.0040 0.0010 -0.1934 0.0024 0.7549 -0.0022 -0.3710 -0.0311 -0.0030 0.0023 -0.0119 -0.0160 -0.0078 ( 50.10%) 0.7078* C 6 s( 25.44%)p 2.93( 74.51%)d 0.00( 0.05%) -0.0000 0.5044 -0.0038 0.0010 0.1389 0.0061 -0.7964 -0.0196 0.3010 -0.0244 -0.0083 0.0056 -0.0141 -0.0118 -0.0052 14. (1.98215) BD ( 1) C 5 - C 17 ( 52.50%) 0.7246* C 5 s( 23.77%)p 3.20( 76.17%)d 0.00( 0.07%) 0.0000 0.4875 0.0030 0.0000 0.7293 0.0069 0.0925 -0.0236 0.4697 -0.0074 0.0072 0.0185 0.0052 0.0147 -0.0034 ( 47.50%) 0.6892* C 17 s( 39.03%)p 1.56( 60.91%)d 0.00( 0.06%) 0.0002 0.6235 0.0385 0.0035 -0.6619 0.0131 -0.1562 -0.0248 -0.3818 0.0052 -0.0016 0.0158 0.0063 0.0178 0.0021 15. (1.95857) BD ( 1) C 5 - H 21 ( 64.14%) 0.8009* C 5 s( 22.84%)p 3.38( 77.10%)d 0.00( 0.06%) 0.0003 -0.4779 -0.0008 0.0015 -0.1627 0.0008 0.5870 -0.0037 0.6323 -0.0122 0.0077 0.0084 -0.0195 0.0063 -0.0057 ( 35.86%) 0.5988* H 21 s(100.00%) -1.0000 -0.0034 16. (1.95571) BD ( 1) C 6 - C 7 ( 51.42%) 0.7171* C 6 s( 27.89%)p 2.58( 72.08%)d 0.00( 0.03%) 0.0001 0.5281 -0.0029 0.0019 -0.7567 -0.0010 0.2953 0.0178 0.2451 -0.0261 -0.0096 -0.0096 0.0045 0.0094 -0.0045 ( 48.58%) 0.6970* C 7 s( 24.39%)p 3.10( 75.56%)d 0.00( 0.05%) 0.0002 0.4938 -0.0037 0.0017 0.7829 0.0088 -0.2492 0.0278 -0.2810 -0.0287 -0.0123 -0.0081 0.0039 0.0129 -0.0091 17. (1.98211) BD ( 1) C 6 - C 15 ( 52.48%) 0.7244* C 6 s( 23.72%)p 3.21( 76.21%)d 0.00( 0.06%) 0.0000 0.4871 0.0033 0.0001 0.6371 -0.0004 0.5259 0.0116 0.2810 -0.0238 0.0181 0.0122 0.0082 0.0073 -0.0070 ( 47.52%) 0.6894* C 15 s( 39.03%)p 1.56( 60.91%)d 0.00( 0.06%) 0.0002 0.6235 0.0390 0.0037 -0.6100 0.0030 -0.4008 0.0231 -0.2749 -0.0164 0.0214 0.0031 0.0105 0.0038 -0.0040 18. (1.95833) BD ( 1) C 6 - H 20 ( 64.19%) 0.8012* C 6 s( 22.84%)p 3.38( 77.10%)d 0.00( 0.06%) 0.0003 -0.4779 -0.0004 0.0015 -0.0405 0.0008 0.0224 -0.0057 0.8768 -0.0115 -0.0007 0.0061 0.0003 -0.0011 -0.0232 ( 35.81%) 0.5984* H 20 s(100.00%) -1.0000 -0.0034 19. (1.96752) BD ( 1) C 7 - C 8 ( 51.24%) 0.7158* C 7 s( 25.24%)p 2.96( 74.71%)d 0.00( 0.04%) -0.0000 0.5024 -0.0010 0.0011 -0.5979 -0.0245 -0.5507 0.0305 -0.2905 -0.0213 0.0162 0.0054 0.0071 -0.0025 -0.0083 ( 48.76%) 0.6983* C 8 s( 26.86%)p 2.72( 73.10%)d 0.00( 0.04%) 0.0004 0.5182 -0.0010 0.0019 0.5850 -0.0119 0.5688 0.0245 0.2535 -0.0140 0.0163 0.0084 0.0069 0.0021 -0.0078 20. (1.97768) BD ( 1) C 7 - H 14 ( 64.01%) 0.8001* C 7 s( 24.57%)p 3.07( 75.38%)d 0.00( 0.06%) -0.0001 0.4956 0.0016 -0.0024 -0.1684 0.0021 0.7948 -0.0195 -0.3056 0.0018 -0.0069 0.0025 -0.0133 -0.0169 -0.0075 ( 35.99%) 0.5999* H 14 s(100.00%) 1.0000 0.0037 21. (1.98513) BD ( 1) C 8 - C 9 ( 50.10%) 0.7078* C 8 s( 26.93%)p 2.71( 73.03%)d 0.00( 0.05%) 0.0001 0.5188 -0.0092 0.0014 0.1555 -0.0195 -0.7755 -0.0222 0.3221 -0.0067 -0.0079 0.0036 -0.0132 -0.0131 -0.0056 ( 49.90%) 0.7064* C 9 s( 26.84%)p 2.72( 73.12%)d 0.00( 0.05%) 0.0001 0.5179 -0.0094 0.0014 -0.1740 -0.0248 0.7638 0.0029 -0.3414 -0.0168 -0.0047 0.0019 -0.0128 -0.0152 -0.0064 22. (1.98265) BD ( 1) C 8 - H 12 ( 62.61%) 0.7913* C 8 s( 23.30%)p 3.29( 76.63%)d 0.00( 0.06%) 0.0001 -0.4827 -0.0033 0.0012 0.7952 -0.0037 -0.2670 0.0041 -0.2493 0.0213 0.0123 0.0116 -0.0044 -0.0157 0.0088 ( 37.39%) 0.6115* H 12 s(100.00%) -1.0000 -0.0014 23. (1.98227) BD ( 1) C 8 - H 13 ( 62.15%) 0.7883* C 8 s( 22.83%)p 3.38( 77.10%)d 0.00( 0.06%) 0.0001 -0.4778 -0.0043 0.0013 0.0003 0.0217 0.0444 -0.0052 0.8766 -0.0086 -0.0001 0.0013 -0.0021 -0.0005 -0.0254 ( 37.85%) 0.6152* H 13 s(100.00%) -1.0000 -0.0022 24. (1.98246) BD ( 1) C 9 - H 10 ( 62.08%) 0.7879* C 9 s( 22.81%)p 3.38( 77.13%)d 0.00( 0.07%) 0.0001 -0.4776 -0.0047 0.0013 -0.1177 0.0194 0.5849 0.0053 0.6440 -0.0127 0.0045 0.0053 -0.0217 0.0086 -0.0079 ( 37.92%) 0.6158* H 10 s(100.00%) -1.0000 -0.0023 25. (1.98274) BD ( 1) C 9 - H 11 ( 62.68%) 0.7917* C 9 s( 23.37%)p 3.28( 76.56%)d 0.00( 0.06%) 0.0001 -0.4835 -0.0031 0.0012 0.6814 -0.0060 0.2693 0.0105 -0.4779 0.0173 -0.0102 0.0188 0.0069 -0.0111 0.0006 ( 37.32%) 0.6109* H 11 s(100.00%) -1.0000 -0.0014 26. (1.98766) BD ( 1) C 15 - O 16 ( 30.07%) 0.5483* C 15 s( 26.44%)p 2.77( 73.36%)d 0.01( 0.20%) -0.0002 0.5141 -0.0095 -0.0063 0.6226 0.0458 -0.4263 0.0145 0.4019 0.0212 -0.0328 0.0203 -0.0196 0.0090 -0.0033 ( 69.93%) 0.8363* O 16 s( 32.02%)p 2.12( 67.77%)d 0.01( 0.21%) -0.0002 0.5659 -0.0013 -0.0010 -0.5352 0.0089 0.5180 0.0080 -0.3503 0.0011 -0.0237 0.0270 -0.0152 0.0210 -0.0117 27. (1.99611) BD ( 1) C 15 - O 19 ( 34.27%) 0.5854* C 15 s( 33.97%)p 1.94( 65.92%)d 0.00( 0.10%) -0.0002 0.5808 -0.0496 -0.0037 0.0422 0.0185 0.8075 0.0551 0.0444 -0.0017 0.0054 -0.0058 0.0023 -0.0285 -0.0128 ( 65.73%) 0.8107* O 19 s( 41.27%)p 1.41( 58.35%)d 0.01( 0.37%) 0.0000 0.6423 -0.0124 -0.0014 -0.0847 -0.0020 -0.7370 0.0081 0.1819 -0.0028 0.0086 -0.0037 -0.0161 -0.0516 -0.0272 28. (1.99059) BD ( 2) C 15 - O 19 ( 32.16%) 0.5671* C 15 s( 0.52%)p99.99( 99.31%)d 0.32( 0.17%) 0.0001 -0.0712 0.0120 0.0017 -0.4829 0.0178 0.0293 -0.0084 0.8704 -0.0332 -0.0198 0.0055 0.0352 -0.0028 -0.0040 ( 67.84%) 0.8237* O 19 s( 0.51%)p99.99( 99.15%)d 0.67( 0.34%) 0.0000 -0.0712 0.0034 0.0007 -0.4693 0.0042 0.2026 -0.0022 0.8545 -0.0087 0.0263 -0.0063 -0.0483 0.0153 0.0112 29. (1.98759) BD ( 1) O 16 - C 17 ( 70.00%) 0.8367* O 16 s( 32.08%)p 2.11( 67.71%)d 0.01( 0.21%) -0.0002 0.5664 -0.0013 -0.0010 -0.2633 0.0108 -0.7529 -0.0011 0.2018 0.0051 0.0352 -0.0041 -0.0071 -0.0135 -0.0247 ( 30.00%) 0.5477* C 17 s( 26.40%)p 2.78( 73.40%)d 0.01( 0.20%) -0.0001 0.5137 -0.0093 -0.0063 0.3677 0.0443 0.7636 0.0215 -0.1138 0.0180 0.0260 -0.0116 -0.0090 -0.0271 -0.0187 30. (1.99609) BD ( 1) C 17 - O 18 ( 34.30%) 0.5856* C 17 s( 34.16%)p 1.92( 65.74%)d 0.00( 0.10%) -0.0002 0.5823 -0.0496 -0.0035 0.3233 0.0359 -0.4632 -0.0286 0.5787 0.0356 -0.0186 0.0131 -0.0204 -0.0030 0.0100 ( 65.70%) 0.8106* O 18 s( 41.38%)p 1.41( 58.24%)d 0.01( 0.37%) 0.0000 0.6432 -0.0128 -0.0013 -0.3518 0.0013 0.5501 -0.0076 -0.3949 0.0041 -0.0336 0.0252 -0.0419 -0.0149 0.0014 31. (1.99092) BD ( 2) C 17 - O 18 ( 32.27%) 0.5681* C 17 s( 0.37%)p99.99( 99.47%)d 0.45( 0.17%) 0.0001 -0.0599 0.0093 0.0014 -0.5628 0.0194 0.4169 -0.0133 0.7090 -0.0292 0.0229 -0.0011 -0.0086 0.0008 0.0327 ( 67.73%) 0.8230* O 18 s( 0.34%)p99.99( 99.32%)d 1.00( 0.34%) -0.0000 -0.0584 0.0028 0.0006 -0.5000 0.0049 0.3225 -0.0034 0.7994 -0.0087 -0.0264 -0.0020 0.0195 0.0006 -0.0485 32. (1.99933) CR ( 1) C 1 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0001 0.0000 -0.0000 -0.0001 -0.0000 0.0003 0.0000 0.0002 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 33. (1.99895) CR ( 1) C 2 s(100.00%) 1.0000 0.0002 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 34. (1.99885) CR ( 1) C 3 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 -0.0000 0.0000 0.0000 -0.0001 -0.0000 0.0003 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 35. (1.99914) CR ( 1) C 4 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0001 0.0000 -0.0000 -0.0001 -0.0000 -0.0002 0.0000 0.0001 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 36. (1.99906) CR ( 1) C 5 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 -0.0000 0.0001 -0.0000 -0.0001 0.0000 -0.0002 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 37. (1.99906) CR ( 1) C 6 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 -0.0000 0.0001 0.0000 -0.0001 -0.0000 -0.0003 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 38. (1.99908) CR ( 1) C 7 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0001 0.0000 -0.0000 -0.0002 -0.0000 0.0001 -0.0000 -0.0001 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 39. (1.99930) CR ( 1) C 8 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 -0.0000 -0.0003 0.0000 -0.0001 -0.0000 -0.0002 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 40. (1.99930) CR ( 1) C 9 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0001 0.0000 -0.0000 -0.0003 0.0000 -0.0002 0.0000 -0.0002 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 41. (1.99930) CR ( 1) C 15 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 -0.0000 -0.0000 0.0002 0.0000 0.0002 0.0000 0.0001 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 42. (1.99966) CR ( 1) O 16 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 -0.0000 -0.0000 -0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 43. (1.99930) CR ( 1) C 17 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 -0.0000 -0.0000 0.0003 0.0000 0.0000 0.0000 0.0001 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 44. (1.99978) CR ( 1) O 18 s(100.00%)p 0.00( 0.00%) 1.0000 0.0004 0.0000 0.0000 0.0000 -0.0000 -0.0003 -0.0000 0.0002 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 45. (1.99978) CR ( 1) O 19 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 0.0000 0.0000 -0.0001 -0.0000 0.0003 0.0000 -0.0001 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 46. (1.96039) LP ( 1) O 16 s( 34.88%)p 1.86( 64.98%)d 0.00( 0.14%) -0.0001 0.5906 -0.0036 0.0011 0.7027 0.0003 0.2742 0.0005 0.2845 0.0012 -0.0188 -0.0162 -0.0086 -0.0236 0.0112 47. (1.71279) LP ( 2) O 16 s( 0.94%)p99.99( 98.82%)d 0.26( 0.24%) 0.0001 0.0969 -0.0004 -0.0002 0.3850 0.0023 -0.2946 0.0001 -0.8679 -0.0009 0.0065 0.0344 0.0151 -0.0237 0.0196 48. (1.97687) LP ( 1) O 18 s( 57.94%)p 0.73( 42.01%)d 0.00( 0.05%) -0.0005 0.7611 0.0069 0.0006 0.3121 0.0008 -0.3938 -0.0018 0.4095 0.0011 0.0103 -0.0123 0.0153 0.0032 -0.0014 49. (1.83683) LP ( 2) O 18 s( 0.30%)p99.99( 99.44%)d 0.87( 0.26%) -0.0001 0.0549 0.0015 0.0007 -0.7251 -0.0060 -0.6595 -0.0057 -0.1835 -0.0008 -0.0102 0.0280 0.0142 0.0378 0.0103 50. (1.97656) LP ( 1) O 19 s( 57.88%)p 0.73( 42.06%)d 0.00( 0.05%) -0.0005 0.7608 0.0067 0.0007 0.0904 -0.0003 0.6410 0.0019 -0.0391 -0.0004 -0.0050 -0.0010 0.0029 0.0184 0.0117 51. (1.83771) LP ( 2) O 19 s( 0.30%)p99.99( 99.44%)d 0.88( 0.26%) -0.0001 0.0547 0.0016 0.0007 -0.8727 -0.0072 0.0290 0.0009 -0.4816 -0.0034 0.0445 -0.0020 0.0245 0.0041 -0.0044 52. (0.00294) RY*( 1) C 1 s( 0.09%)p99.99( 92.28%)d82.32( 7.63%) -0.0000 0.0010 0.0299 0.0054 -0.0011 -0.0924 0.0095 0.5352 -0.0186 -0.7921 0.0398 -0.0262 0.0984 0.1014 0.2325 53. (0.00091) RY*( 2) C 1 s( 0.04%)p99.99( 59.74%)d99.99( 40.21%) -0.0000 -0.0007 0.0207 -0.0030 0.0172 0.7403 0.0019 0.2136 -0.0009 0.0589 -0.5596 -0.1556 -0.0424 0.2506 -0.0129 54. (0.00061) RY*( 3) C 1 s( 25.23%)p 2.93( 73.96%)d 0.03( 0.81%) -0.0000 -0.0119 0.5021 0.0030 0.0039 -0.1999 -0.0218 0.6702 -0.0096 0.4999 0.0424 -0.0001 0.0717 -0.0333 -0.0067 55. (0.00005) RY*( 4) C 1 s( 11.70%)p 3.25( 37.97%)d 4.30( 50.33%) 56. (0.00003) RY*( 5) C 1 s( 43.68%)p 0.56( 24.37%)d 0.73( 31.95%) 57. (0.00000) RY*( 6) C 1 s( 99.29%)p 0.00( 0.31%)d 0.00( 0.40%) 58. (0.00000) RY*( 7) C 1 s( 0.71%)p 0.33( 0.24%)d99.99( 99.05%) 59. (0.00001) RY*( 8) C 1 s( 17.39%)p 0.21( 3.73%)d 4.54( 78.89%) 60. (0.00001) RY*( 9) C 1 s( 1.70%)p 1.18( 2.01%)d56.53( 96.28%) 61. (0.00001) RY*(10) C 1 s( 0.17%)p33.13( 5.62%)d99.99( 94.21%) 62. (0.00401) RY*( 1) C 2 s( 19.31%)p 3.87( 74.65%)d 0.31( 6.04%) -0.0000 -0.0231 0.4384 -0.0171 -0.0096 -0.2747 0.0037 0.7241 0.0359 0.3813 -0.0103 0.0454 -0.2117 0.0422 0.1079 63. (0.00389) RY*( 2) C 2 s( 2.25%)p41.06( 92.39%)d 2.38( 5.36%) 0.0000 0.0213 0.1474 -0.0183 0.0152 0.3290 -0.0184 0.4788 0.0134 -0.7653 0.0481 -0.0782 0.0077 -0.1329 -0.1657 64. (0.00384) RY*( 3) C 2 s( 0.02%)p99.99( 91.64%)d99.99( 8.34%) 0.0000 0.0098 0.0015 -0.0086 -0.0223 -0.8519 -0.0159 -0.0772 0.0035 -0.4290 -0.2112 0.1496 0.0770 0.0437 -0.0927 65. (0.00087) RY*( 4) C 2 s( 77.23%)p 0.23( 17.84%)d 0.06( 4.93%) 0.0000 0.0077 0.8749 0.0821 -0.0048 0.0776 -0.0054 -0.4116 0.0058 -0.0533 -0.0541 -0.0943 0.1929 0.0016 0.0181 66. (0.00042) RY*( 5) C 2 s( 0.48%)p 0.57( 0.28%)d99.99( 99.24%) 0.0000 0.0010 0.0683 0.0117 0.0113 -0.0426 0.0019 -0.0286 0.0008 -0.0022 0.6554 0.6753 0.1559 -0.2871 0.0124 67. (0.00030) RY*( 6) C 2 s( 2.32%)p 1.41( 3.27%)d40.67( 94.41%) 0.0000 0.0012 0.0781 0.1308 -0.0041 0.0265 0.0170 -0.1526 -0.0177 0.0901 -0.0995 0.1426 -0.6112 -0.2194 -0.7015 68. (0.00012) RY*( 7) C 2 s( 3.68%)p 2.88( 10.59%)d23.28( 85.72%) -0.0000 -0.0146 -0.0709 0.1777 0.0024 -0.0682 -0.0022 0.1866 -0.0103 0.2576 -0.0812 -0.2045 0.6703 -0.3438 -0.4912 69. (0.00007) RY*( 8) C 2 s( 0.33%)p25.53( 8.54%)d99.99( 91.12%) 70. (0.00003) RY*( 9) C 2 s( 0.07%)p 2.92( 0.21%)d99.99( 99.72%) 71. (0.00003) RY*(10) C 2 s( 94.42%)p 0.01( 0.65%)d 0.05( 4.93%) 72. (0.00385) RY*( 1) C 3 s( 0.34%)p99.99( 89.55%)d29.78( 10.11%) -0.0000 -0.0274 0.0513 0.0044 -0.0001 -0.0585 -0.0080 0.2771 0.0350 0.9022 -0.0711 -0.0377 0.1607 -0.1199 -0.2334 73. (0.00238) RY*( 2) C 3 s( 9.89%)p 8.28( 81.89%)d 0.83( 8.22%) -0.0000 -0.0013 0.3140 -0.0154 0.0071 0.8144 0.0309 -0.3685 0.0055 0.1371 -0.2194 -0.1573 -0.0812 0.0432 -0.0288 74. (0.00220) RY*( 3) C 3 s( 10.77%)p 7.78( 83.76%)d 0.51( 5.47%) -0.0000 -0.0052 0.3272 -0.0235 -0.0235 -0.4446 0.0315 -0.7782 0.0095 0.1810 0.1309 0.1397 -0.0144 -0.1244 -0.0489 75. (0.00085) RY*( 4) C 3 s( 77.04%)p 0.24( 18.24%)d 0.06( 4.72%) 0.0000 0.0022 0.8734 0.0868 -0.0040 -0.1271 -0.0060 0.3912 -0.0079 -0.1144 0.0342 -0.0077 0.0014 0.0677 0.2034 76. (0.00010) RY*( 5) C 3 s( 5.18%)p 0.41( 2.11%)d17.89( 92.71%) 0.0000 0.0032 0.0610 0.2193 0.0067 -0.0307 -0.0268 0.1137 -0.0005 -0.0804 -0.1324 0.1956 -0.7343 -0.2350 -0.5262 77. (0.00007) RY*( 6) C 3 s( 0.09%)p99.99( 10.53%)d99.99( 89.37%) 78. (0.00004) RY*( 7) C 3 s( 26.01%)p 0.18( 4.65%)d 2.67( 69.33%) 79. (0.00002) RY*( 8) C 3 s( 0.00%)p 1.00( 1.84%)d53.34( 98.16%) 80. (0.00002) RY*( 9) C 3 s( 0.25%)p15.88( 3.96%)d99.99( 95.79%) 81. (0.00001) RY*(10) C 3 s( 70.54%)p 0.05( 3.55%)d 0.37( 25.91%) 82. (0.00417) RY*( 1) C 4 s( 2.86%)p31.90( 91.18%)d 2.08( 5.96%) -0.0000 0.0323 0.1659 0.0017 -0.0117 -0.2932 0.0424 0.4135 -0.0085 -0.8080 -0.0899 0.0011 -0.0850 -0.2022 -0.0582 83. (0.00298) RY*( 2) C 4 s( 0.26%)p99.99( 92.18%)d29.26( 7.56%) 0.0000 -0.0240 0.0435 -0.0105 0.0039 0.0078 -0.0207 -0.8345 0.0316 -0.4732 0.0014 -0.0806 0.2284 0.0701 0.1096 84. (0.00169) RY*( 3) C 4 s( 0.38%)p99.99( 97.54%)d 5.52( 2.08%) 0.0000 -0.0077 0.0609 -0.0012 0.0223 -0.9408 -0.0033 -0.1464 -0.0059 0.2612 0.1129 -0.0492 -0.0282 0.0090 0.0692 85. (0.00063) RY*( 4) C 4 s( 5.33%)p 0.08( 0.40%)d17.70( 94.27%) 0.0000 -0.0018 0.2308 -0.0014 -0.0095 0.0023 -0.0005 -0.0146 0.0014 0.0610 -0.6021 -0.6456 -0.2629 0.3024 -0.0529 86. (0.00059) RY*( 5) C 4 s( 74.17%)p 0.05( 3.49%)d 0.30( 22.33%) 0.0000 -0.0052 0.8612 0.0016 0.0070 0.1134 -0.0011 -0.0578 -0.0026 0.1366 -0.0115 0.2722 -0.1084 -0.1663 0.3312 87. (0.00035) RY*( 6) C 4 s( 12.11%)p 0.03( 0.41%)d 7.23( 87.48%) -0.0000 -0.0011 0.3465 0.0312 0.0007 -0.0027 0.0009 -0.0593 0.0116 -0.0218 0.2740 0.1145 -0.0168 0.3715 -0.8052 88. (0.00016) RY*( 7) C 4 s( 2.41%)p 0.73( 1.77%)d39.84( 95.83%) 0.0000 0.0026 0.1550 -0.0049 -0.0222 0.1116 -0.0099 0.0638 -0.0047 0.0232 0.6088 -0.6941 0.0847 -0.3134 0.0228 89. (0.00010) RY*( 8) C 4 s( 1.98%)p 1.71( 3.39%)d47.69( 94.62%) 90. (0.00003) RY*( 9) C 4 s( 0.81%)p11.84( 9.62%)d99.99( 89.57%) 91. (0.00002) RY*(10) C 4 s( 99.90%)p 0.00( 0.01%)d 0.00( 0.09%) 92. (0.00411) RY*( 1) C 5 s( 0.18%)p99.99( 93.53%)d34.80( 6.29%) -0.0000 -0.0230 0.0337 -0.0120 0.0011 -0.3396 -0.0214 -0.6403 -0.0213 -0.6396 0.0782 0.1345 -0.1212 0.1435 -0.0584 93. (0.00288) RY*( 2) C 5 s( 1.21%)p80.44( 96.95%)d 1.53( 1.85%) 0.0000 -0.0146 0.1071 -0.0191 0.0007 0.4326 0.0147 -0.7288 -0.0209 0.5005 0.0131 0.0068 -0.0848 -0.0899 0.0548 94. (0.00230) RY*( 3) C 5 s( 0.35%)p99.99( 91.20%)d24.19( 8.45%) -0.0000 -0.0121 0.0573 0.0083 0.0088 0.7737 -0.0185 0.1340 -0.0040 -0.5431 0.1770 -0.1039 -0.1543 -0.1031 0.0892 95. (0.00092) RY*( 4) C 5 s( 93.75%)p 0.01( 1.03%)d 0.06( 5.21%) 0.0000 0.0032 0.9681 0.0188 -0.0061 -0.0697 0.0058 0.0643 0.0040 -0.0357 -0.0978 -0.0195 0.1637 -0.0007 0.1240 96. (0.00042) RY*( 5) C 5 s( 2.03%)p 0.44( 0.90%)d47.81( 97.07%) 0.0000 -0.0002 0.1421 -0.0105 -0.0043 0.0129 -0.0038 0.0329 -0.0063 0.0874 0.6170 0.0140 0.1171 -0.0281 -0.7585 97. (0.00027) RY*( 6) C 5 s( 1.01%)p 5.30( 5.35%)d92.84( 93.64%) -0.0000 0.0080 0.0952 0.0310 0.0050 -0.1986 -0.0186 0.1001 0.0087 0.0596 0.1671 0.3190 -0.6147 -0.6478 0.0962 98. (0.00024) RY*( 7) C 5 s( 0.88%)p 4.50( 3.98%)d99.99( 95.14%) -0.0000 0.0031 0.0923 0.0175 -0.0048 0.1754 -0.0130 0.0925 -0.0043 0.0150 -0.5629 0.3232 -0.4213 0.3156 -0.5029 99. (0.00012) RY*( 8) C 5 s( 0.79%)p 4.32( 3.42%)d99.99( 95.79%) -0.0000 0.0053 0.0888 -0.0025 0.0165 -0.1412 0.0043 0.0333 -0.0075 0.1130 0.1804 -0.6707 -0.5883 0.3549 0.0590 100. (0.00009) RY*( 9) C 5 s( 4.44%)p 0.81( 3.61%)d20.70( 91.95%) 101. (0.00003) RY*(10) C 5 s( 95.45%)p 0.00( 0.15%)d 0.05( 4.40%) 102. (0.00422) RY*( 1) C 6 s( 0.21%)p99.99( 93.23%)d31.95( 6.56%) 0.0000 -0.0245 0.0365 -0.0111 -0.0026 -0.4407 -0.0018 -0.1609 -0.0314 -0.8433 0.0907 0.0867 0.0347 0.0397 -0.2171 103. (0.00293) RY*( 2) C 6 s( 1.17%)p82.48( 96.67%)d 1.84( 2.16%) 0.0000 -0.0147 0.1057 -0.0183 0.0090 0.0995 -0.0231 0.9495 -0.0050 -0.2337 -0.1004 0.0240 0.0169 -0.1004 -0.0246 104. (0.00229) RY*( 3) C 6 s( 0.28%)p99.99( 91.41%)d29.17( 8.31%) 0.0000 -0.0123 0.0510 0.0099 0.0014 0.8413 0.0122 -0.2236 -0.0170 -0.3948 -0.2641 0.0395 0.0730 -0.0044 -0.0802 105. (0.00090) RY*( 4) C 6 s( 94.45%)p 0.01( 1.00%)d 0.05( 4.55%) -0.0000 0.0032 0.9717 0.0174 -0.0045 -0.0335 -0.0031 -0.0877 0.0069 0.0329 0.0650 -0.0618 0.0764 -0.0303 0.1753 106. (0.00042) RY*( 5) C 6 s( 1.52%)p 0.58( 0.88%)d64.39( 97.60%) 0.0000 -0.0004 0.1228 -0.0086 -0.0033 0.0042 -0.0032 0.0534 -0.0047 0.0767 -0.1413 0.5282 -0.4407 0.6848 -0.1176 107. (0.00026) RY*( 6) C 6 s( 0.59%)p10.48( 6.14%)d99.99( 93.28%) -0.0000 0.0071 0.0681 0.0342 -0.0009 -0.1905 0.0189 -0.0928 -0.0049 0.1268 -0.5750 0.4910 -0.0390 -0.5713 -0.1824 108. (0.00023) RY*( 7) C 6 s( 1.22%)p 2.47( 3.01%)d78.47( 95.77%) -0.0000 0.0043 0.1063 0.0298 -0.0086 0.1579 0.0085 -0.0010 -0.0121 0.0697 0.4333 -0.1022 -0.5635 -0.3218 -0.5818 109. (0.00012) RY*( 8) C 6 s( 0.88%)p 4.20( 3.71%)d99.99( 95.40%) 0.0000 0.0061 0.0926 -0.0153 0.0166 -0.1291 -0.0040 0.0128 -0.0060 0.1413 -0.4645 -0.5143 0.1874 0.2859 -0.5974 110. (0.00008) RY*( 9) C 6 s( 4.97%)p 0.78( 3.88%)d18.35( 91.16%) 111. (0.00003) RY*(10) C 6 s( 94.82%)p 0.00( 0.17%)d 0.05( 5.00%) 112. (0.00427) RY*( 1) C 7 s( 5.01%)p17.73( 88.82%)d 1.23( 6.17%) -0.0000 0.0271 0.2222 0.0025 0.0058 0.0011 -0.0382 -0.9185 0.0179 -0.2065 -0.0821 0.0248 -0.1746 -0.1541 0.0125 113. (0.00260) RY*( 2) C 7 s( 0.08%)p99.99( 91.60%)d99.99( 8.32%) 0.0000 0.0273 -0.0066 0.0010 0.0063 0.2575 -0.0319 -0.1599 -0.0066 0.9072 -0.0460 0.0840 -0.1035 -0.1211 -0.2207 114. (0.00167) RY*( 3) C 7 s( 0.08%)p99.99( 96.72%)d39.26( 3.20%) 0.0000 -0.0040 0.0280 -0.0039 0.0195 -0.9444 0.0046 -0.0683 -0.0085 0.2647 -0.1195 -0.0915 0.0829 0.0362 -0.0341 115. (0.00059) RY*( 4) C 7 s( 14.75%)p 0.11( 1.66%)d 5.67( 83.59%) -0.0000 -0.0026 0.3841 -0.0040 -0.0079 0.0650 -0.0003 0.1101 0.0029 0.0134 0.0681 -0.8600 -0.2483 -0.0278 -0.1707 116. (0.00053) RY*( 5) C 7 s( 65.72%)p 0.06( 3.94%)d 0.46( 30.33%) 0.0000 -0.0061 0.8106 0.0064 0.0080 0.0016 0.0044 0.1978 -0.0049 0.0146 -0.0192 0.2959 0.3201 -0.3333 0.0428 117. (0.00039) RY*( 6) C 7 s( 10.77%)p 0.06( 0.67%)d 8.22( 88.56%) -0.0000 -0.0017 0.3271 0.0268 -0.0001 -0.0637 0.0086 0.0374 0.0054 -0.0340 0.2407 0.3304 -0.4118 0.6561 -0.3440 118. (0.00016) RY*( 7) C 7 s( 2.03%)p 1.08( 2.19%)d47.13( 95.78%) 0.0000 0.0022 0.1423 -0.0084 -0.0242 0.1364 -0.0051 0.0291 -0.0070 0.0422 -0.8542 -0.0539 0.0214 0.4162 0.2269 119. (0.00010) RY*( 8) C 7 s( 1.85%)p 2.47( 4.59%)d50.50( 93.56%) 120. (0.00004) RY*( 9) C 7 s( 8.33%)p 1.09( 9.09%)d 9.91( 82.58%) 121. (0.00001) RY*(10) C 7 s( 91.55%)p 0.01( 0.74%)d 0.08( 7.70%) 122. (0.00432) RY*( 1) C 8 s( 0.04%)p99.99( 93.21%)d99.99( 6.75%) 0.0000 -0.0031 0.0190 0.0030 -0.0210 -0.6040 0.0074 0.2294 0.0271 0.7166 0.0784 0.0716 -0.0072 -0.1208 0.2039 123. (0.00186) RY*( 2) C 8 s( 1.79%)p46.33( 82.97%)d 8.51( 15.24%) 0.0000 -0.0238 0.1314 -0.0085 -0.0118 -0.5691 -0.0104 0.3711 -0.0062 -0.6065 0.1641 -0.1307 0.0298 -0.2817 -0.1677 124. (0.00105) RY*( 3) C 8 s( 3.05%)p30.69( 93.52%)d 1.13( 3.43%) -0.0000 -0.0090 0.1737 -0.0152 0.0069 -0.4054 0.0252 -0.8759 -0.0027 -0.0545 0.1539 -0.0492 0.0574 0.0219 -0.0668 125. (0.00061) RY*( 4) C 8 s( 89.58%)p 0.02( 2.17%)d 0.09( 8.25%) -0.0000 0.0032 0.9452 0.0494 0.0068 0.0780 -0.0111 0.1184 0.0063 0.0375 -0.1236 0.0968 -0.0978 0.2191 0.0175 126. (0.00033) RY*( 5) C 8 s( 0.41%)p 1.28( 0.52%)d99.99( 99.07%) -0.0000 -0.0012 0.0601 0.0216 0.0015 -0.0088 -0.0021 -0.0363 0.0046 -0.0617 -0.4118 0.3156 0.7953 -0.2596 0.1471 127. (0.00014) RY*( 6) C 8 s( 0.09%)p35.70( 3.36%)d99.99( 96.54%) -0.0000 0.0038 0.0304 0.0022 0.0031 0.0148 0.0230 -0.1060 -0.0140 0.1464 -0.5393 0.0235 -0.3713 -0.5446 -0.4894 128. (0.00005) RY*( 7) C 8 s( 2.65%)p 5.32( 14.12%)d31.39( 83.23%) 129. (0.00002) RY*( 8) C 8 s( 16.08%)p 0.35( 5.58%)d 4.87( 78.33%) 130. (0.00001) RY*( 9) C 8 s( 0.84%)p 3.13( 2.63%)d99.99( 96.52%) 131. (0.00001) RY*(10) C 8 s( 85.55%)p 0.02( 2.04%)d 0.15( 12.41%) 132. (0.00423) RY*( 1) C 9 s( 0.07%)p99.99( 93.32%)d91.13( 6.61%) 0.0000 -0.0042 0.0264 0.0029 -0.0218 -0.5855 0.0065 0.1532 0.0261 0.7521 -0.1016 0.0992 0.1603 -0.1316 0.0536 133. (0.00184) RY*( 2) C 9 s( 2.19%)p37.81( 82.68%)d 6.92( 15.13%) 0.0000 -0.0235 0.1457 -0.0087 -0.0133 -0.3358 -0.0021 -0.8389 -0.0082 -0.1001 -0.2619 0.1547 -0.2081 0.0799 0.0956 134. (0.00105) RY*( 3) C 9 s( 2.67%)p35.35( 94.36%)d 1.11( 2.97%) -0.0000 -0.0077 0.1626 -0.0135 0.0152 -0.6581 -0.0152 0.3989 0.0156 -0.5921 -0.0404 0.0662 0.0188 0.1518 0.0174 135. (0.00063) RY*( 4) C 9 s( 89.13%)p 0.02( 2.09%)d 0.10( 8.78%) -0.0000 0.0034 0.9428 0.0489 0.0020 0.1093 0.0136 -0.0092 -0.0046 0.0929 0.1907 -0.1188 0.0509 -0.0259 -0.1846 136. (0.00034) RY*( 5) C 9 s( 0.69%)p 0.85( 0.59%)d99.99( 98.72%) -0.0000 -0.0012 0.0788 0.0267 -0.0013 0.0006 0.0067 -0.0416 0.0029 -0.0638 0.4718 0.1497 0.0470 -0.2580 0.8206 137. (0.00015) RY*( 6) C 9 s( 0.15%)p28.47( 4.34%)d99.99( 95.50%) -0.0000 0.0047 0.0383 -0.0062 0.0121 -0.0313 -0.0230 0.1995 0.0033 0.0442 -0.0528 -0.0155 -0.8766 -0.4265 -0.0405 138. (0.00005) RY*( 7) C 9 s( 1.49%)p 7.70( 11.45%)d58.56( 87.06%) 139. (0.00003) RY*( 8) C 9 s( 16.77%)p 0.42( 7.04%)d 4.54( 76.19%) 140. (0.00001) RY*( 9) C 9 s( 0.22%)p12.22( 2.68%)d99.99( 97.10%) 141. (0.00001) RY*(10) C 9 s( 86.70%)p 0.02( 1.60%)d 0.13( 11.70%) 142. (0.00132) RY*( 1) H 10 s(100.00%) -0.0023 1.0000 143. (0.00104) RY*( 1) H 11 s(100.00%) -0.0014 1.0000 144. (0.00100) RY*( 1) H 12 s(100.00%) -0.0014 1.0000 145. (0.00129) RY*( 1) H 13 s(100.00%) -0.0022 1.0000 146. (0.00180) RY*( 1) H 14 s(100.00%) -0.0037 1.0000 147. (0.01745) RY*( 1) C 15 s( 18.38%)p 4.42( 81.31%)d 0.02( 0.31%) 0.0000 0.0580 0.4183 -0.0743 0.0218 -0.1737 0.0451 -0.8832 0.0046 -0.0174 0.0435 0.0152 0.0049 -0.0238 -0.0191 148. (0.01023) RY*( 2) C 15 s( 1.51%)p52.38( 79.09%)d12.85( 19.40%) 0.0000 0.0171 0.1215 0.0066 0.0522 -0.7430 -0.0101 0.2309 0.0298 -0.4264 0.3688 -0.0390 0.2267 0.0690 -0.0169 149. (0.00270) RY*( 3) C 15 s( 8.68%)p 5.10( 44.26%)d 5.42( 47.07%) 0.0000 -0.0111 0.2766 0.1008 0.0391 0.4342 0.0129 0.0411 -0.0422 -0.4988 -0.2258 0.0369 0.6264 0.0880 -0.1347 150. (0.00229) RY*( 4) C 15 s( 3.05%)p 5.39( 16.42%)d26.42( 80.53%) 0.0000 0.0080 0.1483 -0.0917 -0.0134 -0.3839 0.0141 0.1122 -0.0147 -0.0607 -0.8607 0.0385 -0.1935 0.1094 -0.1164 151. (0.00205) RY*( 5) C 15 s( 26.56%)p 0.33( 8.79%)d 2.43( 64.65%) 0.0000 -0.0065 0.4999 0.1254 0.0060 0.1649 0.0405 0.1886 0.0072 -0.1529 0.1185 0.3427 -0.4093 0.3312 0.4877 152. (0.00137) RY*( 6) C 15 s( 14.75%)p 2.69( 39.63%)d 3.09( 45.62%) 0.0000 -0.0013 0.3766 0.0752 0.0025 -0.0459 0.0245 0.1676 0.0150 0.6044 0.1065 -0.1639 0.2301 0.5067 -0.3291 153. (0.00049) RY*( 7) C 15 s( 44.95%)p 0.05( 2.17%)d 1.18( 52.88%) 0.0000 -0.0058 0.3937 0.5427 0.0160 0.0165 -0.0037 0.1442 0.0117 0.0139 -0.0140 -0.4380 -0.1922 -0.5413 -0.0827 154. (0.00019) RY*( 8) C 15 s( 70.57%)p 0.10( 7.38%)d 0.31( 22.05%) -0.0000 0.0232 -0.3847 0.7464 -0.0068 -0.1263 -0.0001 -0.2402 -0.0025 -0.0106 -0.1282 -0.0486 0.0994 0.3720 0.2312 155. (0.00008) RY*( 9) C 15 s( 1.30%)p15.77( 20.53%)d60.05( 78.17%) 156. (0.00002) RY*(10) C 15 s( 10.29%)p 0.09( 0.92%)d 8.63( 88.80%) 157. (0.00185) RY*( 1) O 16 s( 60.85%)p 0.62( 37.71%)d 0.02( 1.44%) -0.0000 -0.0043 0.7786 0.0477 0.0107 0.4744 0.0029 0.2387 0.0012 0.3080 0.0515 0.0154 0.0074 0.0915 -0.0554 158. (0.00134) RY*( 2) O 16 s( 30.04%)p 1.84( 55.30%)d 0.49( 14.66%) 0.0000 0.0176 0.5381 -0.1026 0.0059 -0.6304 0.0023 -0.2628 0.0016 -0.2941 0.1831 0.0777 0.1727 0.2773 -0.0190 159. (0.00094) RY*( 3) O 16 s( 0.47%)p99.99( 97.62%)d 4.05( 1.91%) -0.0000 -0.0033 0.0555 0.0403 0.0069 0.5245 0.0011 -0.2413 -0.0005 -0.8018 0.0116 -0.0012 -0.0695 0.0493 -0.1082 160. (0.00060) RY*( 4) O 16 s( 0.00%)p 1.00( 34.08%)d 1.93( 65.92%) -0.0000 0.0001 0.0046 -0.0006 0.0075 0.1093 -0.0350 -0.5236 0.0152 0.2306 -0.5475 0.3284 -0.1976 0.3960 0.2360 161. (0.00032) RY*( 5) O 16 s( 0.00%)p 1.00( 63.76%)d 0.57( 36.24%) 0.0000 -0.0001 0.0027 -0.0006 -0.0079 0.1530 0.0340 -0.7172 -0.0152 0.3137 0.4775 -0.2499 0.0132 -0.2621 -0.0560 162. (0.00018) RY*( 6) O 16 s( 22.42%)p 0.29( 6.51%)d 3.17( 71.07%) 0.0000 -0.0031 0.2837 0.3791 -0.0280 -0.2138 -0.0135 -0.0775 -0.0165 -0.1103 -0.4310 -0.4107 -0.3001 -0.4876 0.1688 163. (0.00016) RY*( 7) O 16 s( 0.01%)p 1.00( 2.43%)d40.18( 97.56%) -0.0000 0.0004 0.0089 0.0032 -0.0003 0.0246 -0.0043 -0.1414 0.0006 0.0607 -0.4508 -0.0245 0.6569 -0.1724 -0.5573 164. (0.00005) RY*( 8) O 16 s( 17.67%)p 0.09( 1.67%)d 4.57( 80.67%) 165. (0.00001) RY*( 9) O 16 s( 67.15%)p 0.00( 0.16%)d 0.49( 32.69%) 166. (0.00002) RY*(10) O 16 s( 1.46%)p 1.02( 1.49%)d66.27( 97.04%) 167. (0.01744) RY*( 1) C 17 s( 18.50%)p 4.39( 81.16%)d 0.02( 0.34%) 0.0000 0.0583 0.4199 -0.0727 0.0337 -0.4672 -0.0159 0.4707 0.0329 -0.6077 -0.0218 0.0508 -0.0070 0.0164 -0.0015 168. (0.01026) RY*( 2) C 17 s( 1.47%)p53.91( 78.98%)d13.35( 19.56%) 0.0000 0.0165 0.1197 0.0077 0.0402 -0.5390 0.0453 -0.7037 0.0054 -0.0191 -0.0750 0.2023 0.1458 0.3431 0.1003 169. (0.00274) RY*( 3) C 17 s( 11.46%)p 4.29( 49.21%)d 3.43( 39.33%) 0.0000 -0.0115 0.3169 0.1185 0.0475 0.5204 -0.0247 -0.2458 -0.0229 -0.3969 0.3890 -0.0285 -0.0600 0.1705 0.4566 170. (0.00228) RY*( 4) C 17 s( 3.67%)p 4.38( 16.09%)d21.84( 80.24%) 0.0000 0.0077 0.1702 -0.0878 -0.0042 -0.2961 -0.0245 -0.2529 0.0027 0.0926 0.4354 -0.5353 -0.3375 -0.4511 -0.0943 171. (0.00208) RY*( 5) C 17 s( 23.19%)p 0.29( 6.83%)d 3.02( 69.97%) 0.0000 -0.0059 0.4657 0.1226 0.0136 0.2099 -0.0144 -0.1490 0.0344 0.0222 0.0315 0.0454 0.6119 -0.2744 -0.4970 172. (0.00136) RY*( 6) C 17 s( 15.34%)p 2.47( 37.87%)d 3.05( 46.79%) 0.0000 -0.0018 0.3857 0.0680 0.0098 -0.0590 -0.0048 0.3004 0.0273 0.5330 0.2886 -0.1411 -0.0322 0.5983 -0.0753 173. (0.00051) RY*( 7) C 17 s( 43.16%)p 0.05( 2.15%)d 1.27( 54.69%) 0.0000 -0.0058 0.3820 0.5345 0.0100 0.0590 0.0171 -0.0673 0.0039 0.1142 -0.6084 -0.1296 -0.3711 -0.1143 0.0960 174. (0.00019) RY*( 8) C 17 s( 69.78%)p 0.11( 7.38%)d 0.33( 22.84%) -0.0000 0.0232 -0.3875 0.7397 -0.0061 -0.1894 -0.0040 0.0890 -0.0008 -0.1731 0.2137 -0.2999 0.2884 0.0975 -0.0080 175. (0.00008) RY*( 9) C 17 s( 1.73%)p11.68( 20.16%)d45.28( 78.12%) 176. (0.00003) RY*(10) C 17 s( 11.75%)p 0.06( 0.65%)d 7.46( 87.60%) 177. (0.00166) RY*( 1) O 18 s( 3.23%)p29.45( 95.12%)d 0.51( 1.65%) -0.0000 0.0065 0.1483 -0.1013 -0.0125 0.6936 0.0011 0.6797 -0.0092 0.0895 0.0811 -0.0669 0.0684 -0.0105 -0.0248 178. (0.00066) RY*( 2) O 18 s( 73.53%)p 0.33( 24.49%)d 0.03( 1.98%) 0.0000 0.0055 0.8575 -0.0057 -0.0002 -0.2625 0.0144 0.1376 -0.0094 -0.3959 -0.0675 -0.0037 0.0603 0.0702 0.0817 179. (0.00043) RY*( 3) O 18 s( 1.61%)p58.29( 93.70%)d 2.92( 4.70%) 0.0000 -0.0010 0.0888 0.0904 -0.0006 -0.5138 0.0010 0.4459 0.0075 0.6885 -0.0834 -0.0489 -0.1344 0.1221 -0.0682 180. (0.00014) RY*( 4) O 18 s( 22.93%)p 0.28( 6.35%)d 3.08( 70.72%) -0.0000 -0.0194 0.1234 0.4622 0.0175 0.2350 -0.0349 -0.0605 0.0300 0.0471 -0.4405 0.3055 -0.5869 -0.2437 0.1264 181. (0.00008) RY*( 5) O 18 s( 31.90%)p 1.67( 53.16%)d 0.47( 14.94%) 182. (0.00005) RY*( 6) O 18 s( 4.13%)p 2.23( 9.19%)d20.99( 86.68%) 183. (0.00001) RY*( 7) O 18 s( 12.35%)p 0.25( 3.12%)d 6.84( 84.52%) 184. (0.00001) RY*( 8) O 18 s( 13.66%)p 0.20( 2.70%)d 6.12( 83.63%) 185. (0.00001) RY*( 9) O 18 s( 35.31%)p 0.31( 11.07%)d 1.52( 53.62%) 186. (0.00001) RY*(10) O 18 s( 1.38%)p 1.51( 2.09%)d69.78( 96.52%) 187. (0.00165) RY*( 1) O 19 s( 3.13%)p30.45( 95.19%)d 0.54( 1.69%) -0.0000 0.0066 0.1418 -0.1054 -0.0096 0.8657 -0.0114 -0.1167 -0.0033 0.4342 -0.0549 0.0202 -0.0005 0.1022 0.0549 188. (0.00066) RY*( 2) O 19 s( 73.84%)p 0.33( 24.05%)d 0.03( 2.11%) 0.0000 0.0055 0.8592 -0.0131 0.0062 -0.1386 -0.0157 -0.4538 0.0036 -0.1228 0.0691 -0.0826 0.0790 -0.0067 0.0566 189. (0.00045) RY*( 3) O 19 s( 1.57%)p59.90( 94.01%)d 2.82( 4.42%) 0.0000 -0.0014 0.0810 0.0956 -0.0014 -0.4198 0.0043 0.0423 0.0059 0.8729 0.0336 -0.1262 -0.0487 0.0101 -0.1572 190. (0.00014) RY*( 4) O 19 s( 22.01%)p 0.33( 7.35%)d 3.21( 70.63%) 0.0000 -0.0194 0.1425 0.4466 -0.0003 0.1943 0.0487 0.1760 -0.0063 -0.0489 0.0328 -0.0819 -0.1283 -0.7558 -0.3331 191. (0.00008) RY*( 5) O 19 s( 31.58%)p 1.63( 51.40%)d 0.54( 17.02%) 192. (0.00005) RY*( 6) O 19 s( 5.20%)p 2.22( 11.52%)d16.03( 83.28%) 193. (0.00001) RY*( 7) O 19 s( 1.70%)p 1.08( 1.84%)d56.80( 96.46%) 194. (0.00001) RY*( 8) O 19 s( 0.97%)p 0.53( 0.51%)d99.99( 98.51%) 195. (0.00001) RY*( 9) O 19 s( 56.45%)p 0.23( 13.16%)d 0.54( 30.40%) 196. (0.00001) RY*(10) O 19 s( 3.59%)p 0.55( 1.97%)d26.31( 94.44%) 197. (0.00142) RY*( 1) H 20 s(100.00%) -0.0034 1.0000 198. (0.00142) RY*( 1) H 21 s(100.00%) -0.0034 1.0000 199. (0.00167) RY*( 1) H 22 s(100.00%) -0.0034 1.0000 200. (0.00097) RY*( 1) H 23 s(100.00%) -0.0028 1.0000 201. (0.00127) RY*( 1) H 24 s(100.00%) -0.0020 1.0000 202. (0.00111) RY*( 1) H 25 s(100.00%) -0.0017 1.0000 203. (0.00092) RY*( 1) H 26 s(100.00%) -0.0008 1.0000 204. (0.01886) BD*( 1) C 1 - C 2 ( 51.17%) 0.7153* C 1 s( 28.85%)p 2.46( 71.10%)d 0.00( 0.05%) 0.0003 0.5370 -0.0135 0.0004 0.1543 0.0016 -0.7013 -0.0089 -0.4419 -0.0043 -0.0052 -0.0036 0.0172 -0.0114 -0.0017 ( 48.83%) -0.6988* C 2 s( 32.88%)p 2.04( 67.09%)d 0.00( 0.03%) -0.0001 0.5733 -0.0082 -0.0009 -0.1507 -0.0006 0.6772 -0.0013 0.4354 0.0037 -0.0047 -0.0027 0.0129 -0.0102 -0.0010 205. (0.00941) BD*( 1) C 1 - H 24 ( 37.36%) 0.6112* C 1 s( 23.68%)p 3.22( 76.26%)d 0.00( 0.06%) 0.0001 -0.4866 -0.0044 -0.0001 -0.5920 0.0059 -0.6159 -0.0065 0.1804 -0.0142 -0.0196 0.0080 0.0074 -0.0008 0.0100 ( 62.64%) -0.7915* H 24 s(100.00%) -1.0000 -0.0020 206. (0.00939) BD*( 1) C 1 - H 25 ( 38.02%) 0.6166* C 1 s( 23.36%)p 3.28( 76.58%)d 0.00( 0.06%) -0.0001 0.4833 0.0037 -0.0001 -0.7902 0.0012 0.3198 0.0095 -0.1971 0.0142 -0.0124 0.0111 -0.0037 0.0152 -0.0097 ( 61.98%) -0.7873* H 25 s(100.00%) 1.0000 0.0017 207. (0.00505) BD*( 1) C 1 - H 26 ( 37.83%) 0.6151* C 1 s( 24.11%)p 3.15( 75.83%)d 0.00( 0.06%) 0.0001 -0.4910 -0.0024 0.0003 -0.0225 0.0031 0.1588 -0.0170 -0.8557 0.0040 0.0003 -0.0012 0.0085 0.0008 -0.0225 ( 62.17%) -0.7885* H 26 s(100.00%) -1.0000 -0.0008 208. (0.01939) BD*( 1) C 2 - C 3 ( 49.11%) 0.7008* C 2 s( 36.94%)p 1.71( 63.03%)d 0.00( 0.03%) 0.0001 -0.6077 0.0103 -0.0018 -0.1497 0.0002 0.7003 0.0075 -0.3403 -0.0387 0.0064 -0.0021 0.0099 0.0132 0.0056 ( 50.89%) -0.7134* C 3 s( 37.54%)p 1.66( 62.42%)d 0.00( 0.04%) -0.0000 -0.6125 0.0117 -0.0037 0.1530 0.0091 -0.7256 -0.0346 0.2691 -0.0244 0.0056 -0.0025 0.0137 0.0136 0.0030 209. (0.08300) BD*( 2) C 2 - C 3 ( 51.20%) 0.7156* C 2 s( 0.01%)p 1.00( 99.92%)d 0.00( 0.08%) -0.0000 -0.0028 0.0065 -0.0001 0.9765 -0.0215 0.2121 -0.0023 0.0119 0.0007 -0.0236 0.0084 0.0016 0.0115 -0.0003 ( 48.80%) -0.6986* C 3 s( 0.00%)p 1.00( 99.93%)d 0.00( 0.07%) -0.0000 -0.0036 0.0057 -0.0000 0.9763 -0.0179 0.2135 -0.0049 0.0122 0.0017 0.0214 -0.0129 -0.0026 -0.0087 -0.0007 210. (0.03119) BD*( 1) C 2 - C 7 ( 50.65%) 0.7117* C 2 s( 30.07%)p 2.32( 69.89%)d 0.00( 0.04%) -0.0001 0.5480 0.0179 -0.0009 -0.0038 -0.0108 0.0704 0.0328 -0.8322 0.0142 -0.0012 -0.0011 -0.0006 -0.0024 0.0209 ( 49.35%) -0.7025* C 7 s( 25.62%)p 2.90( 74.33%)d 0.00( 0.05%) 0.0001 0.5061 0.0010 0.0007 -0.0057 -0.0116 0.0153 0.0307 0.8614 0.0055 0.0001 0.0012 -0.0023 0.0005 0.0224 211. (0.02029) BD*( 1) C 3 - C 4 ( 51.23%) 0.7158* C 3 s( 31.42%)p 2.18( 68.54%)d 0.00( 0.05%) -0.0001 0.5604 0.0086 0.0007 0.1464 0.0037 -0.6317 -0.0307 -0.5124 0.0375 -0.0051 -0.0045 0.0167 -0.0094 0.0072 ( 48.77%) -0.6983* C 4 s( 25.29%)p 2.95( 74.65%)d 0.00( 0.05%) 0.0000 0.5029 0.0002 0.0005 -0.1303 -0.0004 0.5935 -0.0222 0.6127 0.0364 -0.0040 -0.0038 0.0193 -0.0104 0.0024 212. (0.01592) BD*( 1) C 3 - H 23 ( 37.48%) 0.6122* C 3 s( 30.93%)p 2.23( 69.03%)d 0.00( 0.05%) 0.0004 -0.5561 -0.0013 0.0033 -0.0271 -0.0007 0.1612 0.0037 -0.8145 0.0085 0.0001 -0.0013 0.0068 0.0007 -0.0208 ( 62.52%) -0.7907* H 23 s(100.00%) -1.0000 -0.0028 213. (0.03001) BD*( 1) C 4 - C 5 ( 51.62%) 0.7184* C 4 s( 24.54%)p 3.07( 75.41%)d 0.00( 0.05%) 0.0002 0.4953 -0.0028 0.0016 0.6811 0.0215 0.2301 -0.0344 -0.4854 -0.0012 0.0106 -0.0157 -0.0078 0.0082 -0.0002 ( 48.38%) -0.6956* C 5 s( 27.94%)p 2.58( 72.03%)d 0.00( 0.03%) 0.0001 0.5286 -0.0030 0.0018 -0.6352 0.0101 -0.2744 -0.0285 0.4905 -0.0044 0.0059 -0.0142 -0.0044 0.0069 0.0022 214. (0.02179) BD*( 1) C 4 - C 9 ( 48.95%) 0.6996* C 4 s( 25.41%)p 2.93( 74.55%)d 0.00( 0.04%) 0.0000 -0.5041 0.0001 -0.0010 0.7003 0.0086 0.0682 0.0421 0.4984 -0.0109 0.0016 -0.0170 0.0013 -0.0114 -0.0014 ( 51.05%) -0.7145* C 9 s( 26.91%)p 2.71( 73.05%)d 0.00( 0.04%) -0.0004 -0.5187 0.0010 -0.0018 -0.7001 0.0016 -0.0266 0.0283 -0.4886 -0.0107 -0.0026 -0.0168 -0.0012 -0.0123 0.0015 215. (0.01535) BD*( 1) C 4 - H 22 ( 35.88%) 0.5990* C 4 s( 24.56%)p 3.07( 75.39%)d 0.00( 0.06%) -0.0001 0.4955 0.0010 -0.0022 0.1652 -0.0060 -0.7665 0.0178 0.3723 -0.0086 -0.0074 0.0037 -0.0159 -0.0149 -0.0053 ( 64.12%) -0.8008* H 22 s(100.00%) 1.0000 0.0034 216. (0.02408) BD*( 1) C 5 - C 6 ( 50.10%) 0.7078* C 5 s( 25.35%)p 2.94( 74.60%)d 0.00( 0.05%) -0.0000 0.5035 -0.0040 0.0010 -0.1934 0.0024 0.7549 -0.0022 -0.3710 -0.0311 -0.0030 0.0023 -0.0119 -0.0160 -0.0078 ( 49.90%) -0.7064* C 6 s( 25.44%)p 2.93( 74.51%)d 0.00( 0.05%) -0.0000 0.5044 -0.0038 0.0010 0.1389 0.0061 -0.7964 -0.0196 0.3010 -0.0244 -0.0083 0.0056 -0.0141 -0.0118 -0.0052 217. (0.07477) BD*( 1) C 5 - C 17 ( 47.50%) 0.6892* C 5 s( 23.77%)p 3.20( 76.17%)d 0.00( 0.07%) -0.0000 -0.4875 -0.0030 -0.0000 -0.7293 -0.0069 -0.0925 0.0236 -0.4697 0.0074 -0.0072 -0.0185 -0.0052 -0.0147 0.0034 ( 52.50%) -0.7246* C 17 s( 39.03%)p 1.56( 60.91%)d 0.00( 0.06%) -0.0002 -0.6235 -0.0385 -0.0035 0.6619 -0.0131 0.1562 0.0248 0.3818 -0.0052 0.0016 -0.0158 -0.0063 -0.0178 -0.0021 218. (0.01891) BD*( 1) C 5 - H 21 ( 35.86%) 0.5988* C 5 s( 22.84%)p 3.38( 77.10%)d 0.00( 0.06%) -0.0003 0.4779 0.0008 -0.0015 0.1627 -0.0008 -0.5870 0.0037 -0.6323 0.0122 -0.0077 -0.0084 0.0195 -0.0063 0.0057 ( 64.14%) -0.8009* H 21 s(100.00%) 1.0000 0.0034 219. (0.02837) BD*( 1) C 6 - C 7 ( 48.58%) 0.6970* C 6 s( 27.89%)p 2.58( 72.08%)d 0.00( 0.03%) -0.0001 -0.5281 0.0029 -0.0019 0.7567 0.0010 -0.2953 -0.0178 -0.2451 0.0261 0.0096 0.0096 -0.0045 -0.0094 0.0045 ( 51.42%) -0.7171* C 7 s( 24.39%)p 3.10( 75.56%)d 0.00( 0.05%) -0.0002 -0.4938 0.0037 -0.0017 -0.7829 -0.0088 0.2492 -0.0278 0.2810 0.0287 0.0123 0.0081 -0.0039 -0.0129 0.0091 220. (0.07484) BD*( 1) C 6 - C 15 ( 47.52%) 0.6894* C 6 s( 23.72%)p 3.21( 76.21%)d 0.00( 0.06%) -0.0000 -0.4871 -0.0033 -0.0001 -0.6371 0.0004 -0.5259 -0.0116 -0.2810 0.0238 -0.0181 -0.0122 -0.0082 -0.0073 0.0070 ( 52.48%) -0.7244* C 15 s( 39.03%)p 1.56( 60.91%)d 0.00( 0.06%) -0.0002 -0.6235 -0.0390 -0.0037 0.6100 -0.0030 0.4008 -0.0231 0.2749 0.0164 -0.0214 -0.0031 -0.0105 -0.0038 0.0040 221. (0.01855) BD*( 1) C 6 - H 20 ( 35.81%) 0.5984* C 6 s( 22.84%)p 3.38( 77.10%)d 0.00( 0.06%) -0.0003 0.4779 0.0004 -0.0015 0.0405 -0.0008 -0.0224 0.0057 -0.8768 0.0115 0.0007 -0.0061 -0.0003 0.0011 0.0232 ( 64.19%) -0.8012* H 20 s(100.00%) 1.0000 0.0034 222. (0.02052) BD*( 1) C 7 - C 8 ( 48.76%) 0.6983* C 7 s( 25.24%)p 2.96( 74.71%)d 0.00( 0.04%) 0.0000 -0.5024 0.0010 -0.0011 0.5979 0.0245 0.5507 -0.0305 0.2905 0.0213 -0.0162 -0.0054 -0.0071 0.0025 0.0083 ( 51.24%) -0.7158* C 8 s( 26.86%)p 2.72( 73.10%)d 0.00( 0.04%) -0.0004 -0.5182 0.0010 -0.0019 -0.5850 0.0119 -0.5688 -0.0245 -0.2535 0.0140 -0.0163 -0.0084 -0.0069 -0.0021 0.0078 223. (0.01606) BD*( 1) C 7 - H 14 ( 35.99%) 0.5999* C 7 s( 24.57%)p 3.07( 75.38%)d 0.00( 0.06%) 0.0001 -0.4956 -0.0016 0.0024 0.1684 -0.0021 -0.7948 0.0195 0.3056 -0.0018 0.0069 -0.0025 0.0133 0.0169 0.0075 ( 64.01%) -0.8001* H 14 s(100.00%) -1.0000 -0.0037 224. (0.01294) BD*( 1) C 8 - C 9 ( 49.90%) 0.7064* C 8 s( 26.93%)p 2.71( 73.03%)d 0.00( 0.05%) -0.0001 -0.5188 0.0092 -0.0014 -0.1555 0.0195 0.7755 0.0222 -0.3221 0.0067 0.0079 -0.0036 0.0132 0.0131 0.0056 ( 50.10%) -0.7078* C 9 s( 26.84%)p 2.72( 73.12%)d 0.00( 0.05%) -0.0001 -0.5179 0.0094 -0.0014 0.1740 0.0248 -0.7638 -0.0029 0.3414 0.0168 0.0047 -0.0019 0.0128 0.0152 0.0064 225. (0.00977) BD*( 1) C 8 - H 12 ( 37.39%) 0.6115* C 8 s( 23.30%)p 3.29( 76.63%)d 0.00( 0.06%) -0.0001 0.4827 0.0033 -0.0012 -0.7952 0.0037 0.2670 -0.0041 0.2493 -0.0213 -0.0123 -0.0116 0.0044 0.0157 -0.0088 ( 62.61%) -0.7913* H 12 s(100.00%) 1.0000 0.0014 226. (0.01220) BD*( 1) C 8 - H 13 ( 37.85%) 0.6152* C 8 s( 22.83%)p 3.38( 77.10%)d 0.00( 0.06%) -0.0001 0.4778 0.0043 -0.0013 -0.0003 -0.0217 -0.0444 0.0052 -0.8766 0.0086 0.0001 -0.0013 0.0021 0.0005 0.0254 ( 62.15%) -0.7883* H 13 s(100.00%) 1.0000 0.0022 227. (0.01283) BD*( 1) C 9 - H 10 ( 37.92%) 0.6158* C 9 s( 22.81%)p 3.38( 77.13%)d 0.00( 0.07%) -0.0001 0.4776 0.0047 -0.0013 0.1177 -0.0194 -0.5849 -0.0053 -0.6440 0.0127 -0.0045 -0.0053 0.0217 -0.0086 0.0079 ( 62.08%) -0.7879* H 10 s(100.00%) 1.0000 0.0023 228. (0.00971) BD*( 1) C 9 - H 11 ( 37.32%) 0.6109* C 9 s( 23.37%)p 3.28( 76.56%)d 0.00( 0.06%) -0.0001 0.4835 0.0031 -0.0012 -0.6814 0.0060 -0.2693 -0.0105 0.4779 -0.0173 0.0102 -0.0188 -0.0069 0.0111 -0.0006 ( 62.68%) -0.7917* H 11 s(100.00%) 1.0000 0.0014 229. (0.11630) BD*( 1) C 15 - O 16 ( 69.93%) 0.8363* C 15 s( 26.44%)p 2.77( 73.36%)d 0.01( 0.20%) -0.0002 0.5141 -0.0095 -0.0063 0.6226 0.0458 -0.4263 0.0145 0.4019 0.0212 -0.0328 0.0203 -0.0196 0.0090 -0.0033 ( 30.07%) -0.5483* O 16 s( 32.02%)p 2.12( 67.77%)d 0.01( 0.21%) -0.0002 0.5659 -0.0013 -0.0010 -0.5352 0.0089 0.5180 0.0080 -0.3503 0.0011 -0.0237 0.0270 -0.0152 0.0210 -0.0117 230. (0.01991) BD*( 1) C 15 - O 19 ( 65.73%) 0.8107* C 15 s( 33.97%)p 1.94( 65.92%)d 0.00( 0.10%) -0.0002 0.5808 -0.0496 -0.0037 0.0422 0.0185 0.8075 0.0551 0.0444 -0.0017 0.0054 -0.0058 0.0023 -0.0285 -0.0128 ( 34.27%) -0.5854* O 19 s( 41.27%)p 1.41( 58.35%)d 0.01( 0.37%) 0.0000 0.6423 -0.0124 -0.0014 -0.0847 -0.0020 -0.7370 0.0081 0.1819 -0.0028 0.0086 -0.0037 -0.0161 -0.0516 -0.0272 231. (0.17647) BD*( 2) C 15 - O 19 ( 67.84%) 0.8237* C 15 s( 0.52%)p99.99( 99.31%)d 0.32( 0.17%) 0.0001 -0.0712 0.0120 0.0017 -0.4829 0.0178 0.0293 -0.0084 0.8704 -0.0332 -0.0198 0.0055 0.0352 -0.0028 -0.0040 ( 32.16%) -0.5671* O 19 s( 0.51%)p99.99( 99.15%)d 0.67( 0.34%) 0.0000 -0.0712 0.0034 0.0007 -0.4693 0.0042 0.2026 -0.0022 0.8545 -0.0087 0.0263 -0.0063 -0.0483 0.0153 0.0112 232. (0.11680) BD*( 1) O 16 - C 17 ( 30.00%) 0.5477* O 16 s( 32.08%)p 2.11( 67.71%)d 0.01( 0.21%) 0.0002 -0.5664 0.0013 0.0010 0.2633 -0.0108 0.7529 0.0011 -0.2018 -0.0051 -0.0352 0.0041 0.0071 0.0135 0.0247 ( 70.00%) -0.8367* C 17 s( 26.40%)p 2.78( 73.40%)d 0.01( 0.20%) 0.0001 -0.5137 0.0093 0.0063 -0.3677 -0.0443 -0.7636 -0.0215 0.1138 -0.0180 -0.0260 0.0116 0.0090 0.0271 0.0187 233. (0.01892) BD*( 1) C 17 - O 18 ( 65.70%) 0.8106* C 17 s( 34.16%)p 1.92( 65.74%)d 0.00( 0.10%) -0.0002 0.5823 -0.0496 -0.0035 0.3233 0.0359 -0.4632 -0.0286 0.5787 0.0356 -0.0186 0.0131 -0.0204 -0.0030 0.0100 ( 34.30%) -0.5856* O 18 s( 41.38%)p 1.41( 58.24%)d 0.01( 0.37%) 0.0000 0.6432 -0.0128 -0.0013 -0.3518 0.0013 0.5501 -0.0076 -0.3949 0.0041 -0.0336 0.0252 -0.0419 -0.0149 0.0014 234. (0.17471) BD*( 2) C 17 - O 18 ( 67.73%) 0.8230* C 17 s( 0.37%)p99.99( 99.47%)d 0.45( 0.17%) 0.0001 -0.0599 0.0093 0.0014 -0.5628 0.0194 0.4169 -0.0133 0.7090 -0.0292 0.0229 -0.0011 -0.0086 0.0008 0.0327 ( 32.27%) -0.5681* O 18 s( 0.34%)p99.99( 99.32%)d 1.00( 0.34%) -0.0000 -0.0584 0.0028 0.0006 -0.5000 0.0049 0.3225 -0.0034 0.7994 -0.0087 -0.0264 -0.0020 0.0195 0.0006 -0.0485 NHO Directionality and "Bond Bending" (deviations from line of nuclear centers) [Thresholds for printing: angular deviation > 1.0 degree] hybrid p-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev ======================================================================================== 2. BD ( 1) C 1 - H 24 102.0 45.7 101.0 46.7 1.4 -- -- -- 3. BD ( 1) C 1 - H 25 103.1 158.4 102.1 157.3 1.4 -- -- -- 5. BD ( 1) C 2 - C 3 67.3 282.0 62.4 281.9 5.0 107.5 102.0 5.2 6. BD ( 2) C 2 - C 3 67.3 282.0 89.3 12.4 90.1 89.2 12.3 90.0 7. BD ( 1) C 2 - C 7 178.3 85.0 172.7 98.0 5.7 3.2 110.6 4.8 8. BD ( 1) C 3 - C 4 132.3 282.8 125.0 282.8 7.3 42.1 102.9 5.6 10. BD ( 1) C 4 - C 5 124.7 21.4 123.7 15.6 4.9 55.0 205.9 3.7 11. BD ( 1) C 4 - C 9 125.2 183.1 124.2 188.8 4.8 54.4 359.9 2.7 13. BD ( 1) C 5 - C 6 112.9 102.1 117.4 104.2 4.8 71.5 280.1 4.9 14. BD ( 1) C 5 - C 17 59.1 9.2 58.0 5.3 3.4 119.2 195.6 5.8 16. BD ( 1) C 6 - C 7 72.5 160.3 75.0 157.5 3.6 110.6 344.4 5.0 17. BD ( 1) C 6 - C 15 71.0 37.1 72.8 40.2 3.4 112.2 211.9 5.8 19. BD ( 1) C 7 - C 8 108.0 224.0 111.0 219.9 4.9 73.8 46.0 2.7 21. BD ( 1) C 8 - C 9 67.2 282.1 68.7 279.7 2.7 114.3 104.5 2.7 23. BD ( 1) C 8 - H 13 177.7 264.0 177.0 240.7 1.2 -- -- -- 24. BD ( 1) C 9 - H 10 136.5 281.3 136.5 279.5 1.3 -- -- -- 26. BD ( 1) C 15 - O 16 63.2 319.2 61.7 328.4 8.3 115.1 135.0 4.1 27. BD ( 1) C 15 - O 19 95.3 85.9 87.2 86.0 8.1 76.3 263.2 8.8 28. BD ( 2) C 15 - O 19 95.3 85.9 150.9 357.4 84.6 149.1 336.7 84.9 29. BD ( 1) O 16 - C 17 78.5 248.8 75.4 251.5 4.1 96.2 62.3 8.3 30. BD ( 1) C 17 - O 18 51.4 302.8 44.8 306.1 7.1 121.2 122.9 7.4 31. BD ( 2) C 17 - O 18 51.4 302.8 135.1 323.4 85.7 143.3 327.2 85.7 46. LP ( 1) O 16 -- -- 69.3 21.3 -- -- -- -- 47. LP ( 2) O 16 -- -- 150.8 322.8 -- -- -- -- 48. LP ( 1) O 18 -- -- 50.9 308.3 -- -- -- -- 49. LP ( 2) O 18 -- -- 100.6 222.3 -- -- -- -- 50. LP ( 1) O 19 -- -- 93.5 82.0 -- -- -- -- 51. LP ( 2) O 19 -- -- 118.9 178.1 -- -- -- -- 229. BD*( 1) C 15 - O 16 63.2 319.2 61.7 328.4 8.3 115.1 135.0 4.1 231. BD*( 2) C 15 - O 19 95.3 85.9 150.9 357.4 84.6 149.1 336.7 84.9 232. BD*( 1) O 16 - C 17 78.5 248.8 75.4 251.5 4.1 96.2 62.3 8.3 234. BD*( 2) C 17 - O 18 51.4 302.8 135.1 323.4 85.7 143.3 327.2 85.7 Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis Threshold for printing: 0.50 kcal/mol E(2) E(j)-E(i) F(i,j) Donor NBO (i) Acceptor NBO (j) kcal/mol a.u. a.u. =================================================================================================== within unit 1 1. BD ( 1) C 1 - C 2 / 72. RY*( 1) C 3 1.22 1.93 0.043 1. BD ( 1) C 1 - C 2 /112. RY*( 1) C 7 0.91 1.79 0.036 1. BD ( 1) C 1 - C 2 /205. BD*( 1) C 1 - H 24 0.55 1.05 0.021 1. BD ( 1) C 1 - C 2 /206. BD*( 1) C 1 - H 25 0.53 1.05 0.021 1. BD ( 1) C 1 - C 2 /208. BD*( 1) C 2 - C 3 3.64 1.30 0.061 1. BD ( 1) C 1 - C 2 /210. BD*( 1) C 2 - C 7 1.06 1.04 0.030 1. BD ( 1) C 1 - C 2 /211. BD*( 1) C 3 - C 4 2.47 1.04 0.045 1. BD ( 1) C 1 - C 2 /219. BD*( 1) C 6 - C 7 0.53 0.98 0.020 2. BD ( 1) C 1 - H 24 / 63. RY*( 2) C 2 0.57 1.44 0.026 2. BD ( 1) C 1 - H 24 /204. BD*( 1) C 1 - C 2 0.51 0.92 0.019 2. BD ( 1) C 1 - H 24 /208. BD*( 1) C 2 - C 3 2.06 1.16 0.044 2. BD ( 1) C 1 - H 24 /209. BD*( 2) C 2 - C 3 4.02 0.55 0.042 3. BD ( 1) C 1 - H 25 / 64. RY*( 3) C 2 1.00 1.40 0.034 3. BD ( 1) C 1 - H 25 /208. BD*( 1) C 2 - C 3 2.08 1.16 0.044 3. BD ( 1) C 1 - H 25 /209. BD*( 2) C 2 - C 3 3.90 0.55 0.042 4. BD ( 1) C 1 - H 26 / 63. RY*( 2) C 2 0.52 1.44 0.025 4. BD ( 1) C 1 - H 26 /204. BD*( 1) C 1 - C 2 0.56 0.93 0.020 4. BD ( 1) C 1 - H 26 /210. BD*( 1) C 2 - C 7 4.60 0.90 0.058 5. BD ( 1) C 2 - C 3 / 52. RY*( 1) C 1 0.62 1.53 0.028 5. BD ( 1) C 2 - C 3 / 82. RY*( 1) C 4 1.88 1.87 0.053 5. BD ( 1) C 2 - C 3 /112. RY*( 1) C 7 0.93 1.89 0.038 5. BD ( 1) C 2 - C 3 /204. BD*( 1) C 1 - C 2 2.94 1.16 0.052 5. BD ( 1) C 2 - C 3 /210. BD*( 1) C 2 - C 7 2.27 1.14 0.045 5. BD ( 1) C 2 - C 3 /211. BD*( 1) C 3 - C 4 1.59 1.14 0.038 5. BD ( 1) C 2 - C 3 /212. BD*( 1) C 3 - H 23 1.77 1.18 0.041 5. BD ( 1) C 2 - C 3 /215. BD*( 1) C 4 - H 22 1.02 1.16 0.031 5. BD ( 1) C 2 - C 3 /223. BD*( 1) C 7 - H 14 1.08 1.16 0.032 6. BD ( 2) C 2 - C 3 / 53. RY*( 2) C 1 0.66 1.52 0.029 6. BD ( 2) C 2 - C 3 /205. BD*( 1) C 1 - H 24 2.53 0.69 0.038 6. BD ( 2) C 2 - C 3 /206. BD*( 1) C 1 - H 25 2.64 0.68 0.038 6. BD ( 2) C 2 - C 3 /213. BD*( 1) C 4 - C 5 2.40 0.62 0.035 6. BD ( 2) C 2 - C 3 /214. BD*( 1) C 4 - C 9 2.09 0.63 0.033 6. BD ( 2) C 2 - C 3 /218. BD*( 1) C 5 - H 21 0.75 0.67 0.020 6. BD ( 2) C 2 - C 3 /219. BD*( 1) C 6 - C 7 2.07 0.62 0.032 6. BD ( 2) C 2 - C 3 /221. BD*( 1) C 6 - H 20 0.69 0.67 0.019 6. BD ( 2) C 2 - C 3 /222. BD*( 1) C 7 - C 8 1.84 0.63 0.031 6. BD ( 2) C 2 - C 3 /226. BD*( 1) C 8 - H 13 0.72 0.68 0.020 6. BD ( 2) C 2 - C 3 /227. BD*( 1) C 9 - H 10 0.80 0.69 0.021 6. BD ( 2) C 2 - C 3 /231. BD*( 2) C 15 - O 19 0.61 0.27 0.012 6. BD ( 2) C 2 - C 3 /234. BD*( 2) C 17 - O 18 0.68 0.27 0.012 7. BD ( 1) C 2 - C 7 / 52. RY*( 1) C 1 1.07 1.41 0.035 7. BD ( 1) C 2 - C 7 / 72. RY*( 1) C 3 1.19 1.91 0.043 7. BD ( 1) C 2 - C 7 /102. RY*( 1) C 6 1.27 1.78 0.043 7. BD ( 1) C 2 - C 7 /122. RY*( 1) C 8 0.66 1.74 0.031 7. BD ( 1) C 2 - C 7 /204. BD*( 1) C 1 - C 2 0.85 1.04 0.027 7. BD ( 1) C 2 - C 7 /207. BD*( 1) C 1 - H 26 0.96 1.04 0.028 7. BD ( 1) C 2 - C 7 /208. BD*( 1) C 2 - C 3 2.75 1.28 0.053 7. BD ( 1) C 2 - C 7 /212. BD*( 1) C 3 - H 23 3.94 1.07 0.058 7. BD ( 1) C 2 - C 7 /219. BD*( 1) C 6 - C 7 0.89 0.97 0.026 7. BD ( 1) C 2 - C 7 /221. BD*( 1) C 6 - H 20 2.09 1.02 0.041 7. BD ( 1) C 2 - C 7 /222. BD*( 1) C 7 - C 8 0.91 0.97 0.027 7. BD ( 1) C 2 - C 7 /223. BD*( 1) C 7 - H 14 0.70 1.04 0.024 7. BD ( 1) C 2 - C 7 /226. BD*( 1) C 8 - H 13 1.84 1.03 0.039 8. BD ( 1) C 3 - C 4 / 63. RY*( 2) C 2 2.46 1.56 0.056 8. BD ( 1) C 3 - C 4 / 64. RY*( 3) C 2 0.71 1.51 0.029 8. BD ( 1) C 3 - C 4 / 92. RY*( 1) C 5 1.01 1.76 0.038 8. BD ( 1) C 3 - C 4 /132. RY*( 1) C 9 0.54 1.72 0.028 8. BD ( 1) C 3 - C 4 /204. BD*( 1) C 1 - C 2 5.66 1.04 0.069 8. BD ( 1) C 3 - C 4 /208. BD*( 1) C 2 - C 3 2.41 1.28 0.050 8. BD ( 1) C 3 - C 4 /213. BD*( 1) C 4 - C 5 0.79 0.96 0.025 8. BD ( 1) C 3 - C 4 /214. BD*( 1) C 4 - C 9 0.81 0.97 0.025 8. BD ( 1) C 3 - C 4 /215. BD*( 1) C 4 - H 22 0.71 1.04 0.024 8. BD ( 1) C 3 - C 4 /218. BD*( 1) C 5 - H 21 2.21 1.01 0.042 8. BD ( 1) C 3 - C 4 /227. BD*( 1) C 9 - H 10 1.96 1.03 0.040 9. BD ( 1) C 3 - H 23 / 62. RY*( 1) C 2 1.77 1.85 0.051 9. BD ( 1) C 3 - H 23 /208. BD*( 1) C 2 - C 3 2.37 1.19 0.047 9. BD ( 1) C 3 - H 23 /210. BD*( 1) C 2 - C 7 4.60 0.93 0.058 9. BD ( 1) C 3 - H 23 /213. BD*( 1) C 4 - C 5 0.74 0.87 0.023 9. BD ( 1) C 3 - H 23 /214. BD*( 1) C 4 - C 9 0.66 0.88 0.021 10. BD ( 1) C 4 - C 5 / 74. RY*( 3) C 3 1.10 1.45 0.036 10. BD ( 1) C 4 - C 5 /104. RY*( 3) C 6 1.02 1.52 0.035 10. BD ( 1) C 4 - C 5 /132. RY*( 1) C 9 1.01 1.72 0.038 10. BD ( 1) C 4 - C 5 /167. RY*( 1) C 17 0.74 1.36 0.028 10. BD ( 1) C 4 - C 5 /209. BD*( 2) C 2 - C 3 1.69 0.66 0.030 10. BD ( 1) C 4 - C 5 /211. BD*( 1) C 3 - C 4 0.76 1.02 0.025 10. BD ( 1) C 4 - C 5 /212. BD*( 1) C 3 - H 23 1.33 1.06 0.034 10. BD ( 1) C 4 - C 5 /214. BD*( 1) C 4 - C 9 0.53 0.97 0.020 10. BD ( 1) C 4 - C 5 /215. BD*( 1) C 4 - H 22 0.66 1.04 0.024 10. BD ( 1) C 4 - C 5 /216. BD*( 1) C 5 - C 6 1.11 0.97 0.029 10. BD ( 1) C 4 - C 5 /217. BD*( 1) C 5 - C 17 0.80 0.97 0.025 10. BD ( 1) C 4 - C 5 /218. BD*( 1) C 5 - H 21 0.84 1.01 0.026 10. BD ( 1) C 4 - C 5 /221. BD*( 1) C 6 - H 20 0.77 1.01 0.025 10. BD ( 1) C 4 - C 5 /228. BD*( 1) C 9 - H 11 1.58 1.03 0.036 10. BD ( 1) C 4 - C 5 /232. BD*( 1) O 16 - C 17 1.30 0.94 0.032 10. BD ( 1) C 4 - C 5 /234. BD*( 2) C 17 - O 18 1.91 0.61 0.031 11. BD ( 1) C 4 - C 9 / 73. RY*( 2) C 3 1.38 1.44 0.040 11. BD ( 1) C 4 - C 9 / 92. RY*( 1) C 5 0.63 1.74 0.030 11. BD ( 1) C 4 - C 9 / 93. RY*( 2) C 5 0.64 1.41 0.027 11. BD ( 1) C 4 - C 9 /124. RY*( 3) C 8 0.86 1.31 0.030 11. BD ( 1) C 4 - C 9 /209. BD*( 2) C 2 - C 3 2.03 0.65 0.033 11. BD ( 1) C 4 - C 9 /211. BD*( 1) C 3 - C 4 0.99 1.01 0.028 11. BD ( 1) C 4 - C 9 /212. BD*( 1) C 3 - H 23 1.42 1.05 0.034 11. BD ( 1) C 4 - C 9 /213. BD*( 1) C 4 - C 5 0.72 0.95 0.023 11. BD ( 1) C 4 - C 9 /215. BD*( 1) C 4 - H 22 0.69 1.03 0.024 11. BD ( 1) C 4 - C 9 /217. BD*( 1) C 5 - C 17 2.50 0.96 0.044 11. BD ( 1) C 4 - C 9 /224. BD*( 1) C 8 - C 9 0.55 0.96 0.021 11. BD ( 1) C 4 - C 9 /225. BD*( 1) C 8 - H 12 0.67 1.01 0.023 11. BD ( 1) C 4 - C 9 /226. BD*( 1) C 8 - H 13 0.68 1.01 0.024 12. BD ( 1) C 4 - H 22 /208. BD*( 1) C 2 - C 3 2.34 1.17 0.047 12. BD ( 1) C 4 - H 22 /211. BD*( 1) C 3 - C 4 0.53 0.91 0.020 12. BD ( 1) C 4 - H 22 /214. BD*( 1) C 4 - C 9 0.56 0.86 0.020 12. BD ( 1) C 4 - H 22 /216. BD*( 1) C 5 - C 6 2.82 0.86 0.044 12. BD ( 1) C 4 - H 22 /224. BD*( 1) C 8 - C 9 2.61 0.86 0.043 13. BD ( 1) C 5 - C 6 / 83. RY*( 2) C 4 0.62 1.61 0.028 13. BD ( 1) C 5 - C 6 /113. RY*( 2) C 7 0.55 1.59 0.027 13. BD ( 1) C 5 - C 6 /114. RY*( 3) C 7 0.54 1.37 0.024 13. BD ( 1) C 5 - C 6 /213. BD*( 1) C 4 - C 5 0.97 0.97 0.028 13. BD ( 1) C 5 - C 6 /215. BD*( 1) C 4 - H 22 1.79 1.05 0.039 13. BD ( 1) C 5 - C 6 /218. BD*( 1) C 5 - H 21 0.80 1.02 0.026 13. BD ( 1) C 5 - C 6 /219. BD*( 1) C 6 - C 7 0.99 0.97 0.028 13. BD ( 1) C 5 - C 6 /221. BD*( 1) C 6 - H 20 0.83 1.02 0.026 13. BD ( 1) C 5 - C 6 /223. BD*( 1) C 7 - H 14 1.79 1.04 0.039 13. BD ( 1) C 5 - C 6 /229. BD*( 1) C 15 - O 16 0.86 0.94 0.026 13. BD ( 1) C 5 - C 6 /230. BD*( 1) C 15 - O 19 4.12 1.19 0.063 13. BD ( 1) C 5 - C 6 /232. BD*( 1) O 16 - C 17 0.85 0.94 0.026 13. BD ( 1) C 5 - C 6 /233. BD*( 1) C 17 - O 18 4.13 1.20 0.063 14. BD ( 1) C 5 - C 17 / 82. RY*( 1) C 4 0.82 1.80 0.034 14. BD ( 1) C 5 - C 17 /102. RY*( 1) C 6 0.54 1.83 0.028 14. BD ( 1) C 5 - C 17 /177. RY*( 1) O 18 1.54 1.92 0.049 14. BD ( 1) C 5 - C 17 /213. BD*( 1) C 4 - C 5 0.92 1.02 0.027 14. BD ( 1) C 5 - C 17 /214. BD*( 1) C 4 - C 9 1.68 1.03 0.037 14. BD ( 1) C 5 - C 17 /216. BD*( 1) C 5 - C 6 0.64 1.02 0.023 14. BD ( 1) C 5 - C 17 /219. BD*( 1) C 6 - C 7 0.83 1.02 0.026 14. BD ( 1) C 5 - C 17 /220. BD*( 1) C 6 - C 15 0.78 1.03 0.026 14. BD ( 1) C 5 - C 17 /221. BD*( 1) C 6 - H 20 0.86 1.07 0.027 14. BD ( 1) C 5 - C 17 /230. BD*( 1) C 15 - O 19 0.52 1.24 0.023 14. BD ( 1) C 5 - C 17 /233. BD*( 1) C 17 - O 18 0.99 1.24 0.031 15. BD ( 1) C 5 - H 21 / 83. RY*( 2) C 4 0.52 1.50 0.025 15. BD ( 1) C 5 - H 21 /102. RY*( 1) C 6 0.53 1.69 0.027 15. BD ( 1) C 5 - H 21 /211. BD*( 1) C 3 - C 4 2.37 0.93 0.042 15. BD ( 1) C 5 - H 21 /219. BD*( 1) C 6 - C 7 1.06 0.87 0.027 15. BD ( 1) C 5 - H 21 /220. BD*( 1) C 6 - C 15 0.61 0.88 0.021 15. BD ( 1) C 5 - H 21 /232. BD*( 1) O 16 - C 17 0.80 0.84 0.024 15. BD ( 1) C 5 - H 21 /234. BD*( 2) C 17 - O 18 5.15 0.51 0.047 16. BD ( 1) C 6 - C 7 / 64. RY*( 3) C 2 0.61 1.51 0.028 16. BD ( 1) C 6 - C 7 / 94. RY*( 3) C 5 1.00 1.52 0.035 16. BD ( 1) C 6 - C 7 /122. RY*( 1) C 8 0.98 1.73 0.037 16. BD ( 1) C 6 - C 7 /147. RY*( 1) C 15 0.76 1.37 0.029 16. BD ( 1) C 6 - C 7 /204. BD*( 1) C 1 - C 2 1.67 1.04 0.037 16. BD ( 1) C 6 - C 7 /209. BD*( 2) C 2 - C 3 1.96 0.66 0.032 16. BD ( 1) C 6 - C 7 /210. BD*( 1) C 2 - C 7 0.91 1.02 0.027 16. BD ( 1) C 6 - C 7 /216. BD*( 1) C 5 - C 6 1.11 0.97 0.029 16. BD ( 1) C 6 - C 7 /218. BD*( 1) C 5 - H 21 0.75 1.01 0.025 16. BD ( 1) C 6 - C 7 /220. BD*( 1) C 6 - C 15 0.79 0.97 0.025 16. BD ( 1) C 6 - C 7 /221. BD*( 1) C 6 - H 20 0.82 1.01 0.026 16. BD ( 1) C 6 - C 7 /222. BD*( 1) C 7 - C 8 0.57 0.97 0.021 16. BD ( 1) C 6 - C 7 /223. BD*( 1) C 7 - H 14 0.67 1.04 0.024 16. BD ( 1) C 6 - C 7 /225. BD*( 1) C 8 - H 12 1.58 1.03 0.036 16. BD ( 1) C 6 - C 7 /229. BD*( 1) C 15 - O 16 1.30 0.94 0.032 16. BD ( 1) C 6 - C 7 /231. BD*( 2) C 15 - O 19 1.89 0.61 0.031 17. BD ( 1) C 6 - C 15 / 92. RY*( 1) C 5 0.55 1.81 0.028 17. BD ( 1) C 6 - C 15 /112. RY*( 1) C 7 0.85 1.83 0.035 17. BD ( 1) C 6 - C 15 /187. RY*( 1) O 19 1.54 1.92 0.049 17. BD ( 1) C 6 - C 15 /213. BD*( 1) C 4 - C 5 0.82 1.02 0.026 17. BD ( 1) C 6 - C 15 /216. BD*( 1) C 5 - C 6 0.65 1.02 0.023 17. BD ( 1) C 6 - C 15 /217. BD*( 1) C 5 - C 17 0.77 1.03 0.025 17. BD ( 1) C 6 - C 15 /218. BD*( 1) C 5 - H 21 0.85 1.07 0.027 17. BD ( 1) C 6 - C 15 /219. BD*( 1) C 6 - C 7 0.91 1.02 0.027 17. BD ( 1) C 6 - C 15 /222. BD*( 1) C 7 - C 8 1.68 1.03 0.037 17. BD ( 1) C 6 - C 15 /230. BD*( 1) C 15 - O 19 0.98 1.24 0.031 17. BD ( 1) C 6 - C 15 /233. BD*( 1) C 17 - O 18 0.52 1.25 0.023 18. BD ( 1) C 6 - H 20 / 92. RY*( 1) C 5 0.53 1.67 0.027 18. BD ( 1) C 6 - H 20 /113. RY*( 2) C 7 0.56 1.49 0.026 18. BD ( 1) C 6 - H 20 /210. BD*( 1) C 2 - C 7 2.38 0.92 0.042 18. BD ( 1) C 6 - H 20 /213. BD*( 1) C 4 - C 5 1.05 0.87 0.027 18. BD ( 1) C 6 - H 20 /217. BD*( 1) C 5 - C 17 0.60 0.88 0.021 18. BD ( 1) C 6 - H 20 /229. BD*( 1) C 15 - O 16 0.81 0.84 0.024 18. BD ( 1) C 6 - H 20 /231. BD*( 2) C 15 - O 19 5.09 0.51 0.047 19. BD ( 1) C 7 - C 8 / 63. RY*( 2) C 2 0.69 1.54 0.029 19. BD ( 1) C 7 - C 8 /102. RY*( 1) C 6 0.60 1.77 0.029 19. BD ( 1) C 7 - C 8 /103. RY*( 2) C 6 0.69 1.42 0.028 19. BD ( 1) C 7 - C 8 /134. RY*( 3) C 9 0.84 1.30 0.030 19. BD ( 1) C 7 - C 8 /204. BD*( 1) C 1 - C 2 1.73 1.02 0.038 19. BD ( 1) C 7 - C 8 /209. BD*( 2) C 2 - C 3 2.35 0.65 0.035 19. BD ( 1) C 7 - C 8 /210. BD*( 1) C 2 - C 7 1.19 1.00 0.031 19. BD ( 1) C 7 - C 8 /219. BD*( 1) C 6 - C 7 0.77 0.95 0.024 19. BD ( 1) C 7 - C 8 /220. BD*( 1) C 6 - C 15 2.52 0.96 0.044 19. BD ( 1) C 7 - C 8 /223. BD*( 1) C 7 - H 14 0.70 1.02 0.024 19. BD ( 1) C 7 - C 8 /224. BD*( 1) C 8 - C 9 0.55 0.96 0.021 19. BD ( 1) C 7 - C 8 /227. BD*( 1) C 9 - H 10 0.66 1.01 0.023 19. BD ( 1) C 7 - C 8 /228. BD*( 1) C 9 - H 11 0.66 1.02 0.023 20. BD ( 1) C 7 - H 14 /208. BD*( 1) C 2 - C 3 2.69 1.17 0.050 20. BD ( 1) C 7 - H 14 /210. BD*( 1) C 2 - C 7 0.71 0.91 0.023 20. BD ( 1) C 7 - H 14 /216. BD*( 1) C 5 - C 6 2.77 0.86 0.044 20. BD ( 1) C 7 - H 14 /219. BD*( 1) C 6 - C 7 0.50 0.85 0.018 20. BD ( 1) C 7 - H 14 /222. BD*( 1) C 7 - C 8 0.57 0.86 0.020 20. BD ( 1) C 7 - H 14 /224. BD*( 1) C 8 - C 9 2.57 0.87 0.042 21. BD ( 1) C 8 - C 9 / 83. RY*( 2) C 4 0.61 1.59 0.028 21. BD ( 1) C 8 - C 9 /113. RY*( 2) C 7 0.63 1.57 0.028 21. BD ( 1) C 8 - C 9 /215. BD*( 1) C 4 - H 22 1.81 1.03 0.039 21. BD ( 1) C 8 - C 9 /222. BD*( 1) C 7 - C 8 0.50 0.96 0.020 21. BD ( 1) C 8 - C 9 /223. BD*( 1) C 7 - H 14 1.81 1.02 0.038 22. BD ( 1) C 8 - H 12 /132. RY*( 1) C 9 0.76 1.61 0.031 22. BD ( 1) C 8 - H 12 /214. BD*( 1) C 4 - C 9 0.93 0.86 0.025 22. BD ( 1) C 8 - H 12 /219. BD*( 1) C 6 - C 7 2.97 0.85 0.045 22. BD ( 1) C 8 - H 12 /227. BD*( 1) C 9 - H 10 0.79 0.91 0.024 23. BD ( 1) C 8 - H 13 /132. RY*( 1) C 9 0.71 1.61 0.030 23. BD ( 1) C 8 - H 13 /210. BD*( 1) C 2 - C 7 2.59 0.90 0.043 23. BD ( 1) C 8 - H 13 /214. BD*( 1) C 4 - C 9 0.94 0.86 0.025 23. BD ( 1) C 8 - H 13 /228. BD*( 1) C 9 - H 11 0.74 0.92 0.023 24. BD ( 1) C 9 - H 10 /122. RY*( 1) C 8 0.70 1.62 0.030 24. BD ( 1) C 9 - H 10 /211. BD*( 1) C 3 - C 4 2.62 0.91 0.044 24. BD ( 1) C 9 - H 10 /222. BD*( 1) C 7 - C 8 0.94 0.85 0.025 24. BD ( 1) C 9 - H 10 /225. BD*( 1) C 8 - H 12 0.76 0.91 0.024 25. BD ( 1) C 9 - H 11 /122. RY*( 1) C 8 0.75 1.62 0.031 25. BD ( 1) C 9 - H 11 /213. BD*( 1) C 4 - C 5 2.96 0.85 0.045 25. BD ( 1) C 9 - H 11 /222. BD*( 1) C 7 - C 8 0.96 0.85 0.026 25. BD ( 1) C 9 - H 11 /226. BD*( 1) C 8 - H 13 0.79 0.91 0.024 26. BD ( 1) C 15 - O 16 /103. RY*( 2) C 6 0.54 1.76 0.028 26. BD ( 1) C 15 - O 16 /168. RY*( 2) C 17 1.55 2.09 0.051 26. BD ( 1) C 15 - O 16 /219. BD*( 1) C 6 - C 7 0.74 1.29 0.028 26. BD ( 1) C 15 - O 16 /233. BD*( 1) C 17 - O 18 3.56 1.52 0.066 26. BD ( 1) C 15 - O 16 /234. BD*( 2) C 17 - O 18 0.55 0.93 0.021 27. BD ( 1) C 15 - O 19 /147. RY*( 1) C 15 1.49 1.85 0.047 27. BD ( 1) C 15 - O 19 /220. BD*( 1) C 6 - C 15 1.13 1.46 0.037 27. BD ( 1) C 15 - O 19 /232. BD*( 1) O 16 - C 17 1.15 1.42 0.037 28. BD ( 2) C 15 - O 19 /219. BD*( 1) C 6 - C 7 0.85 0.76 0.023 28. BD ( 2) C 15 - O 19 /221. BD*( 1) C 6 - H 20 1.11 0.81 0.027 28. BD ( 2) C 15 - O 19 /231. BD*( 2) C 15 - O 19 0.57 0.40 0.014 29. BD ( 1) O 16 - C 17 / 93. RY*( 2) C 5 0.54 1.75 0.027 29. BD ( 1) O 16 - C 17 /148. RY*( 2) C 15 1.57 2.08 0.051 29. BD ( 1) O 16 - C 17 /213. BD*( 1) C 4 - C 5 0.73 1.29 0.028 29. BD ( 1) O 16 - C 17 /230. BD*( 1) C 15 - O 19 3.53 1.51 0.065 29. BD ( 1) O 16 - C 17 /231. BD*( 2) C 15 - O 19 0.63 0.93 0.023 30. BD ( 1) C 17 - O 18 /167. RY*( 1) C 17 1.49 1.84 0.047 30. BD ( 1) C 17 - O 18 /217. BD*( 1) C 5 - C 17 1.15 1.46 0.037 30. BD ( 1) C 17 - O 18 /229. BD*( 1) C 15 - O 16 1.17 1.42 0.037 31. BD ( 2) C 17 - O 18 /213. BD*( 1) C 4 - C 5 0.86 0.76 0.023 31. BD ( 2) C 17 - O 18 /218. BD*( 1) C 5 - H 21 1.14 0.81 0.027 31. BD ( 2) C 17 - O 18 /234. BD*( 2) C 17 - O 18 0.56 0.40 0.014 32. CR ( 1) C 1 / 62. RY*( 1) C 2 0.75 11.39 0.083 32. CR ( 1) C 1 / 65. RY*( 4) C 2 0.89 11.27 0.089 32. CR ( 1) C 1 /208. BD*( 1) C 2 - C 3 0.87 10.73 0.086 32. CR ( 1) C 1 /210. BD*( 1) C 2 - C 7 0.68 10.47 0.076 33. CR ( 1) C 2 / 54. RY*( 3) C 1 1.27 10.77 0.104 33. CR ( 1) C 2 / 73. RY*( 2) C 3 1.12 10.89 0.098 33. CR ( 1) C 2 / 74. RY*( 3) C 3 1.63 10.89 0.119 33. CR ( 1) C 2 /113. RY*( 2) C 7 1.03 11.02 0.095 33. CR ( 1) C 2 /208. BD*( 1) C 2 - C 3 1.34 10.71 0.107 33. CR ( 1) C 2 /211. BD*( 1) C 3 - C 4 0.63 10.46 0.073 33. CR ( 1) C 2 /212. BD*( 1) C 3 - H 23 0.95 10.50 0.090 34. CR ( 1) C 3 / 62. RY*( 1) C 2 1.47 11.36 0.115 34. CR ( 1) C 3 / 63. RY*( 2) C 2 2.12 10.98 0.136 34. CR ( 1) C 3 / 83. RY*( 2) C 4 1.16 11.03 0.101 34. CR ( 1) C 3 /204. BD*( 1) C 1 - C 2 1.39 10.47 0.108 34. CR ( 1) C 3 /208. BD*( 1) C 2 - C 3 1.45 10.70 0.112 34. CR ( 1) C 3 /210. BD*( 1) C 2 - C 7 0.84 10.44 0.084 35. CR ( 1) C 4 / 94. RY*( 3) C 5 0.96 10.98 0.092 35. CR ( 1) C 4 /134. RY*( 3) C 9 1.11 10.78 0.097 36. CR ( 1) C 5 / 84. RY*( 3) C 4 1.36 10.82 0.108 36. CR ( 1) C 5 /103. RY*( 2) C 6 1.23 10.90 0.103 36. CR ( 1) C 5 /167. RY*( 1) C 17 0.59 10.83 0.072 36. CR ( 1) C 5 /168. RY*( 2) C 17 0.80 11.23 0.085 36. CR ( 1) C 5 /233. BD*( 1) C 17 - O 18 0.83 10.66 0.084 37. CR ( 1) C 6 / 93. RY*( 2) C 5 1.26 10.90 0.105 37. CR ( 1) C 6 /114. RY*( 3) C 7 1.27 10.84 0.105 37. CR ( 1) C 6 /147. RY*( 1) C 15 0.59 10.84 0.072 37. CR ( 1) C 6 /148. RY*( 2) C 15 0.81 11.22 0.085 37. CR ( 1) C 6 /230. BD*( 1) C 15 - O 19 0.83 10.66 0.084 38. CR ( 1) C 7 / 63. RY*( 2) C 2 0.93 11.02 0.090 38. CR ( 1) C 7 /104. RY*( 3) C 6 0.96 10.98 0.092 38. CR ( 1) C 7 /124. RY*( 3) C 8 1.12 10.78 0.098 38. CR ( 1) C 7 /204. BD*( 1) C 1 - C 2 0.60 10.50 0.071 39. CR ( 1) C 8 /114. RY*( 3) C 7 0.59 10.82 0.071 39. CR ( 1) C 8 /134. RY*( 3) C 9 0.68 10.78 0.077 40. CR ( 1) C 9 / 84. RY*( 3) C 4 0.64 10.80 0.074 40. CR ( 1) C 9 /123. RY*( 2) C 8 0.53 10.95 0.068 40. CR ( 1) C 9 /124. RY*( 3) C 8 0.63 10.78 0.074 41. CR ( 1) C 15 /229. BD*( 1) C 15 - O 16 0.69 10.55 0.078 41. CR ( 1) C 15 /232. BD*( 1) O 16 - C 17 1.00 10.55 0.094 42. CR ( 1) O 16 /148. RY*( 2) C 15 2.51 20.16 0.201 42. CR ( 1) O 16 /168. RY*( 2) C 17 2.51 20.16 0.201 43. CR ( 1) C 17 /229. BD*( 1) C 15 - O 16 1.00 10.55 0.095 43. CR ( 1) C 17 /232. BD*( 1) O 16 - C 17 0.69 10.55 0.078 44. CR ( 1) O 18 /167. RY*( 1) C 17 6.27 19.64 0.315 44. CR ( 1) O 18 /217. BD*( 1) C 5 - C 17 0.72 19.26 0.107 44. CR ( 1) O 18 /232. BD*( 1) O 16 - C 17 0.72 19.22 0.108 45. CR ( 1) O 19 /147. RY*( 1) C 15 6.31 19.65 0.316 45. CR ( 1) O 19 /220. BD*( 1) C 6 - C 15 0.71 19.26 0.107 45. CR ( 1) O 19 /229. BD*( 1) C 15 - O 16 0.72 19.22 0.108 46. LP ( 1) O 16 /148. RY*( 2) C 15 2.74 1.72 0.062 46. LP ( 1) O 16 /168. RY*( 2) C 17 2.73 1.72 0.062 46. LP ( 1) O 16 /217. BD*( 1) C 5 - C 17 4.89 0.94 0.061 46. LP ( 1) O 16 /220. BD*( 1) C 6 - C 15 4.91 0.94 0.061 46. LP ( 1) O 16 /230. BD*( 1) C 15 - O 19 1.25 1.15 0.034 46. LP ( 1) O 16 /233. BD*( 1) C 17 - O 18 1.26 1.16 0.034 47. LP ( 2) O 16 /149. RY*( 3) C 15 0.85 1.86 0.038 47. LP ( 2) O 16 /151. RY*( 5) C 15 0.67 2.29 0.038 47. LP ( 2) O 16 /169. RY*( 3) C 17 0.72 1.74 0.034 47. LP ( 2) O 16 /171. RY*( 5) C 17 0.80 2.34 0.042 47. LP ( 2) O 16 /230. BD*( 1) C 15 - O 19 1.33 0.94 0.034 47. LP ( 2) O 16 /231. BD*( 2) C 15 - O 19 35.97 0.36 0.104 47. LP ( 2) O 16 /233. BD*( 1) C 17 - O 18 1.17 0.94 0.032 47. LP ( 2) O 16 /234. BD*( 2) C 17 - O 18 36.27 0.36 0.105 48. LP ( 1) O 18 /167. RY*( 1) C 17 17.36 1.45 0.142 48. LP ( 1) O 18 /217. BD*( 1) C 5 - C 17 3.04 1.06 0.051 48. LP ( 1) O 18 /232. BD*( 1) O 16 - C 17 1.64 1.03 0.037 49. LP ( 2) O 18 /168. RY*( 2) C 17 1.37 1.42 0.041 49. LP ( 2) O 18 /170. RY*( 4) C 17 1.43 2.57 0.056 49. LP ( 2) O 18 /182. RY*( 6) O 18 0.73 2.15 0.037 49. LP ( 2) O 18 /217. BD*( 1) C 5 - C 17 18.00 0.64 0.098 49. LP ( 2) O 18 /232. BD*( 1) O 16 - C 17 38.00 0.60 0.136 50. LP ( 1) O 19 /147. RY*( 1) C 15 17.37 1.46 0.142 50. LP ( 1) O 19 /220. BD*( 1) C 6 - C 15 3.04 1.06 0.051 50. LP ( 1) O 19 /229. BD*( 1) C 15 - O 16 1.63 1.03 0.037 51. LP ( 2) O 19 /148. RY*( 2) C 15 1.35 1.42 0.041 51. LP ( 2) O 19 /150. RY*( 4) C 15 1.45 2.57 0.057 51. LP ( 2) O 19 /192. RY*( 6) O 19 0.72 2.13 0.036 51. LP ( 2) O 19 /220. BD*( 1) C 6 - C 15 18.00 0.64 0.098 51. LP ( 2) O 19 /229. BD*( 1) C 15 - O 16 37.88 0.60 0.136 229. BD*( 1) C 15 - O 16 /148. RY*( 2) C 15 2.23 0.82 0.151 229. BD*( 1) C 15 - O 16 /150. RY*( 4) C 15 0.65 1.97 0.131 229. BD*( 1) C 15 - O 16 /153. RY*( 7) C 15 0.70 1.84 0.132 229. BD*( 1) C 15 - O 16 /161. RY*( 5) O 16 1.00 1.21 0.129 229. BD*( 1) C 15 - O 16 /216. BD*( 1) C 5 - C 6 8.51 0.03 0.056 229. BD*( 1) C 15 - O 16 /217. BD*( 1) C 5 - C 17 4.38 0.04 0.038 229. BD*( 1) C 15 - O 16 /219. BD*( 1) C 6 - C 7 2.98 0.03 0.030 229. BD*( 1) C 15 - O 16 /222. BD*( 1) C 7 - C 8 0.62 0.03 0.016 229. BD*( 1) C 15 - O 16 /230. BD*( 1) C 15 - O 19 1.22 0.25 0.060 231. BD*( 2) C 15 - O 19 /155. RY*( 9) C 15 0.55 1.79 0.094 231. BD*( 2) C 15 - O 19 /189. RY*( 3) O 19 0.63 1.13 0.080 231. BD*( 2) C 15 - O 19 /219. BD*( 1) C 6 - C 7 0.84 0.36 0.048 231. BD*( 2) C 15 - O 19 /221. BD*( 1) C 6 - H 20 0.85 0.41 0.053 231. BD*( 2) C 15 - O 19 /230. BD*( 1) C 15 - O 19 0.93 0.58 0.066 232. BD*( 1) O 16 - C 17 /161. RY*( 5) O 16 1.00 1.20 0.128 232. BD*( 1) O 16 - C 17 /168. RY*( 2) C 17 2.24 0.82 0.152 232. BD*( 1) O 16 - C 17 /170. RY*( 4) C 17 0.65 1.97 0.131 232. BD*( 1) O 16 - C 17 /173. RY*( 7) C 17 0.70 1.84 0.132 232. BD*( 1) O 16 - C 17 /213. BD*( 1) C 4 - C 5 2.90 0.03 0.030 232. BD*( 1) O 16 - C 17 /214. BD*( 1) C 4 - C 9 0.59 0.04 0.016 232. BD*( 1) O 16 - C 17 /216. BD*( 1) C 5 - C 6 8.78 0.03 0.056 232. BD*( 1) O 16 - C 17 /220. BD*( 1) C 6 - C 15 4.71 0.04 0.038 232. BD*( 1) O 16 - C 17 /233. BD*( 1) C 17 - O 18 1.21 0.25 0.060 234. BD*( 2) C 17 - O 18 /175. RY*( 9) C 17 0.54 1.79 0.094 234. BD*( 2) C 17 - O 18 /179. RY*( 3) O 18 0.62 1.13 0.080 234. BD*( 2) C 17 - O 18 /213. BD*( 1) C 4 - C 5 0.85 0.36 0.049 234. BD*( 2) C 17 - O 18 /218. BD*( 1) C 5 - H 21 0.84 0.41 0.053 234. BD*( 2) C 17 - O 18 /233. BD*( 1) C 17 - O 18 0.62 0.58 0.054 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (C11H12O3) 1. BD ( 1) C 1 - C 2 1.98361 -0.63068 208(g),211(v),72(v),210(g) 112(v),205(g),219(v),206(g) 2. BD ( 1) C 1 - H 24 1.97806 -0.49239 209(v),208(v),63(v),204(g) 3. BD ( 1) C 1 - H 25 1.97839 -0.49501 209(v),208(v),64(v) 4. BD ( 1) C 1 - H 26 1.98924 -0.49515 210(v),204(g),63(v) 5. BD ( 1) C 2 - C 3 1.97803 -0.73054 204(g),210(g),82(v),212(g) 211(g),223(v),215(v),112(v) 52(v) 6. BD ( 2) C 2 - C 3 1.94044 -0.26807 206(v),205(v),213(v),214(v) 219(v),222(v),227(r),218(r) 226(r),234(r),221(r),53(v) 231(r) 7. BD ( 1) C 2 - C 7 1.96536 -0.61317 212(v),208(g),221(v),226(v) 102(v),72(v),52(v),207(v) 222(g),219(g),204(g),223(g) 122(v) 8. BD ( 1) C 3 - C 4 1.97032 -0.60919 204(v),63(v),208(g),218(v) 227(v),92(v),214(g),213(g) 64(v),215(g),132(v) 9. BD ( 1) C 3 - H 23 1.98203 -0.51801 210(v),208(g),62(v),213(v) 214(v) 10. BD ( 1) C 4 - C 5 1.95717 -0.60841 234(v),209(v),228(v),212(v) 232(v),74(v),216(g),104(v) 132(v),218(g),217(g),221(v) 211(g),167(v),215(g),214(g) 11. BD ( 1) C 4 - C 9 1.96903 -0.59383 217(v),209(v),212(v),73(v) 211(g),124(v),213(g),215(g) 226(v),225(v),93(v),92(v) 224(g) 12. BD ( 1) C 4 - H 22 1.97792 -0.49881 216(v),224(v),208(v),214(g) 211(g) 13. BD ( 1) C 5 - C 6 1.96776 -0.61737 233(v),230(v),223(v),215(v) 219(g),213(g),229(v),232(v) 221(g),218(g),83(v),113(v) 114(v) 14. BD ( 1) C 5 - C 17 1.98215 -0.66279 214(v),177(v),233(g),213(g) 221(v),219(v),82(v),220(v) 216(g),102(v),230(r) 15. BD ( 1) C 5 - H 21 1.95857 -0.51455 234(v),211(v),219(v),232(v) 220(v),102(v),83(v) 16. BD ( 1) C 6 - C 7 1.95571 -0.60953 231(v),209(v),204(v),225(v) 229(v),216(g),94(v),122(v) 210(g),221(g),220(g),147(v) 218(v),223(g),64(v),222(g) 17. BD ( 1) C 6 - C 15 1.98211 -0.66425 222(v),187(v),230(g),219(g) 112(v),218(v),213(v),217(v) 216(g),92(v),233(r) 18. BD ( 1) C 6 - H 20 1.95833 -0.51571 231(v),210(v),213(v),229(v) 217(v),113(v),92(v) 19. BD ( 1) C 7 - C 8 1.96752 -0.59482 220(v),209(v),204(v),210(g) 134(v),219(g),223(g),103(v) 63(v),228(v),227(v),102(v) 224(g) 20. BD ( 1) C 7 - H 14 1.97768 -0.50181 216(v),208(v),224(v),210(g) 222(g) 21. BD ( 1) C 8 - C 9 1.98513 -0.59615 223(v),215(v),113(v),83(v) 22. BD ( 1) C 8 - H 12 1.98265 -0.49366 219(v),214(v),227(v),132(v) 23. BD ( 1) C 8 - H 13 1.98227 -0.49530 210(v),214(v),228(v),132(v) 24. BD ( 1) C 9 - H 10 1.98246 -0.49399 211(v),222(v),225(v),122(v) 25. BD ( 1) C 9 - H 11 1.98274 -0.49204 213(v),222(v),226(v),122(v) 26. BD ( 1) C 15 - O 16 1.98766 -0.93672 233(v),168(v),219(v),234(v) 103(v) 27. BD ( 1) C 15 - O 19 1.99611 -1.09519 147(g),232(v),220(g) 28. BD ( 2) C 15 - O 19 1.99059 -0.40666 221(v),219(v),231(g) 29. BD ( 1) O 16 - C 17 1.98759 -0.93631 230(v),148(v),213(v),231(v) 93(v) 30. BD ( 1) C 17 - O 18 1.99609 -1.09522 167(g),229(v),217(g) 31. BD ( 2) C 17 - O 18 1.99092 -0.40149 218(v),213(v),234(g) 32. CR ( 1) C 1 1.99933 -10.06086 65(v),208(v),62(v),210(v) 33. CR ( 1) C 2 1.99895 -10.04576 74(v),208(g),54(v),73(v) 113(v),212(v),211(v) 34. CR ( 1) C 3 1.99885 -10.03557 63(v),62(v),208(g),204(v) 83(v),210(v) 35. CR ( 1) C 4 1.99914 -10.06864 134(v),94(v) 36. CR ( 1) C 5 1.99906 -10.07976 84(v),103(v),233(v),168(v) 167(v) 37. CR ( 1) C 6 1.99906 -10.08116 114(v),93(v),230(v),148(v) 147(v) 38. CR ( 1) C 7 1.99908 -10.06724 124(v),104(v),63(v),204(v) 39. CR ( 1) C 8 1.99930 -10.06756 134(v),114(v) 40. CR ( 1) C 9 1.99930 -10.06596 84(v),124(v),123(v) 41. CR ( 1) C 15 1.99930 -10.22250 232(v),229(g),220(g) 42. CR ( 1) O 16 1.99966 -19.01357 148(v),168(v) 43. CR ( 1) C 17 1.99930 -10.22099 229(v),232(g),217(g) 44. CR ( 1) O 18 1.99978 -18.89349 167(v),232(v),217(v) 45. CR ( 1) O 19 1.99978 -18.89557 147(v),229(v),220(v) 46. LP ( 1) O 16 1.96039 -0.57389 220(v),217(v),148(v),168(v) 233(v),230(v) 47. LP ( 2) O 16 1.71279 -0.36108 234(v),231(v),230(v),233(v) 149(v),171(v),169(v),151(v) 48. LP ( 1) O 18 1.97687 -0.69793 167(v),217(v),232(v) 49. LP ( 2) O 18 1.83683 -0.27195 232(v),217(v),170(v),168(v) 182(g) 50. LP ( 1) O 19 1.97656 -0.69992 147(v),220(v),229(v) 51. LP ( 2) O 19 1.83771 -0.27431 229(v),220(v),150(v),148(v) 192(g) 52. RY*( 1) C 1 0.00294 0.80052 53. RY*( 2) C 1 0.00091 1.24761 54. RY*( 3) C 1 0.00061 0.72537 55. RY*( 4) C 1 0.00005 1.39774 56. RY*( 5) C 1 0.00003 1.39805 57. RY*( 6) C 1 0.00000 4.22011 58. RY*( 7) C 1 0.00000 1.92681 59. RY*( 8) C 1 0.00001 1.92755 60. RY*( 9) C 1 0.00001 2.01770 61. RY*( 10) C 1 0.00001 2.07747 62. RY*( 1) C 2 0.00401 1.32913 63. RY*( 2) C 2 0.00389 0.94833 64. RY*( 3) C 2 0.00384 0.90414 65. RY*( 4) C 2 0.00087 1.20483 66. RY*( 5) C 2 0.00042 1.96357 67. RY*( 6) C 2 0.00030 2.37024 68. RY*( 7) C 2 0.00012 2.26284 69. RY*( 8) C 2 0.00007 1.87058 70. RY*( 9) C 2 0.00003 2.29362 71. RY*( 10) C 2 0.00003 4.23363 72. RY*( 1) C 3 0.00385 1.29523 73. RY*( 2) C 3 0.00238 0.84147 74. RY*( 3) C 3 0.00220 0.84202 75. RY*( 4) C 3 0.00085 1.18487 76. RY*( 5) C 3 0.00010 2.41275 77. RY*( 6) C 3 0.00007 1.84127 78. RY*( 7) C 3 0.00004 2.72673 79. RY*( 8) C 3 0.00002 1.93002 80. RY*( 9) C 3 0.00002 2.26028 81. RY*( 10) C 3 0.00001 3.59355 82. RY*( 1) C 4 0.00417 1.13830 83. RY*( 2) C 4 0.00298 0.98993 84. RY*( 3) C 4 0.00169 0.73702 85. RY*( 4) C 4 0.00063 2.02859 86. RY*( 5) C 4 0.00059 1.90015 87. RY*( 6) C 4 0.00035 2.11724 88. RY*( 7) C 4 0.00016 2.16159 89. RY*( 8) C 4 0.00010 2.17514 90. RY*( 9) C 4 0.00003 2.01478 91. RY*( 10) C 4 0.00002 4.26366 92. RY*( 1) C 5 0.00411 1.15000 93. RY*( 2) C 5 0.00288 0.81767 94. RY*( 3) C 5 0.00230 0.90986 95. RY*( 4) C 5 0.00092 1.74359 96. RY*( 5) C 5 0.00042 2.11383 97. RY*( 6) C 5 0.00027 2.10567 98. RY*( 7) C 5 0.00024 2.08743 99. RY*( 8) C 5 0.00012 2.14804 100. RY*( 9) C 5 0.00009 2.27368 101. RY*( 10) C 5 0.00003 4.19312 102. RY*( 1) C 6 0.00422 1.17089 103. RY*( 2) C 6 0.00293 0.82274 104. RY*( 3) C 6 0.00229 0.90799 105. RY*( 4) C 6 0.00090 1.75176 106. RY*( 5) C 6 0.00042 2.11112 107. RY*( 6) C 6 0.00026 2.06982 108. RY*( 7) C 6 0.00023 2.13309 109. RY*( 8) C 6 0.00012 2.13157 110. RY*( 9) C 6 0.00008 2.29191 111. RY*( 10) C 6 0.00003 4.18549 112. RY*( 1) C 7 0.00427 1.16371 113. RY*( 2) C 7 0.00260 0.97542 114. RY*( 3) C 7 0.00167 0.75531 115. RY*( 4) C 7 0.00059 1.97525 116. RY*( 5) C 7 0.00053 1.97150 117. RY*( 6) C 7 0.00039 2.12411 118. RY*( 7) C 7 0.00016 2.17641 119. RY*( 8) C 7 0.00010 2.18331 120. RY*( 9) C 7 0.00004 2.23382 121. RY*( 10) C 7 0.00001 4.06810 122. RY*( 1) C 8 0.00432 1.12360 123. RY*( 2) C 8 0.00186 0.88536 124. RY*( 3) C 8 0.00105 0.71746 125. RY*( 4) C 8 0.00061 1.65942 126. RY*( 5) C 8 0.00033 1.90710 127. RY*( 6) C 8 0.00014 2.15786 128. RY*( 7) C 8 0.00005 1.94696 129. RY*( 8) C 8 0.00002 2.31123 130. RY*( 9) C 8 0.00001 2.10812 131. RY*( 10) C 8 0.00001 3.79087 132. RY*( 1) C 9 0.00423 1.11181 133. RY*( 2) C 9 0.00184 0.88162 134. RY*( 3) C 9 0.00105 0.70765 135. RY*( 4) C 9 0.00063 1.65033 136. RY*( 5) C 9 0.00034 1.91736 137. RY*( 6) C 9 0.00015 2.12252 138. RY*( 7) C 9 0.00005 1.99181 139. RY*( 8) C 9 0.00003 2.27768 140. RY*( 9) C 9 0.00001 2.08565 141. RY*( 10) C 9 0.00001 3.82579 142. RY*( 1) H 10 0.00132 0.65398 143. RY*( 1) H 11 0.00104 0.64572 144. RY*( 1) H 12 0.00100 0.64775 145. RY*( 1) H 13 0.00129 0.65217 146. RY*( 1) H 14 0.00180 0.64024 147. RY*( 1) C 15 0.01745 0.75754 148. RY*( 2) C 15 0.01023 1.14367 149. RY*( 3) C 15 0.00270 1.49799 150. RY*( 4) C 15 0.00229 2.29479 151. RY*( 5) C 15 0.00205 1.92525 152. RY*( 6) C 15 0.00137 1.47710 153. RY*( 7) C 15 0.00049 2.16201 154. RY*( 8) C 15 0.00019 3.73433 155. RY*( 9) C 15 0.00008 1.79233 156. RY*( 10) C 15 0.00002 2.36705 157. RY*( 1) O 16 0.00185 1.86493 158. RY*( 2) O 16 0.00134 1.18282 159. RY*( 3) O 16 0.00094 1.09614 160. RY*( 4) O 16 0.00060 2.31150 161. RY*( 5) O 16 0.00032 1.53140 162. RY*( 6) O 16 0.00018 2.26419 163. RY*( 7) O 16 0.00016 1.85126 164. RY*( 8) O 16 0.00005 2.20902 165. RY*( 9) O 16 0.00001 3.55150 166. RY*( 10) O 16 0.00002 1.78642 167. RY*( 1) C 17 0.01744 0.74939 168. RY*( 2) C 17 0.01026 1.14923 169. RY*( 3) C 17 0.00274 1.37967 170. RY*( 4) C 17 0.00228 2.29450 171. RY*( 5) C 17 0.00208 1.97915 172. RY*( 6) C 17 0.00136 1.51780 173. RY*( 7) C 17 0.00051 2.16868 174. RY*( 8) C 17 0.00019 3.72389 175. RY*( 9) C 17 0.00008 1.78955 176. RY*( 10) C 17 0.00003 2.37422 177. RY*( 1) O 18 0.00166 1.25273 178. RY*( 2) O 18 0.00066 2.44084 179. RY*( 3) O 18 0.00043 1.12536 180. RY*( 4) O 18 0.00014 2.59965 181. RY*( 5) O 18 0.00008 1.29387 182. RY*( 6) O 18 0.00005 1.88275 183. RY*( 7) O 18 0.00001 2.15300 184. RY*( 8) O 18 0.00001 2.19130 185. RY*( 9) O 18 0.00001 2.53457 186. RY*( 10) O 18 0.00001 1.81927 187. RY*( 1) O 19 0.00165 1.25237 188. RY*( 2) O 19 0.00066 2.46787 189. RY*( 3) O 19 0.00045 1.12316 190. RY*( 4) O 19 0.00014 2.56848 191. RY*( 5) O 19 0.00008 1.32275 192. RY*( 6) O 19 0.00005 1.85483 193. RY*( 7) O 19 0.00001 1.79643 194. RY*( 8) O 19 0.00001 1.89510 195. RY*( 9) O 19 0.00001 3.10339 196. RY*( 10) O 19 0.00001 1.91105 197. RY*( 1) H 20 0.00142 0.63241 198. RY*( 1) H 21 0.00142 0.63382 199. RY*( 1) H 22 0.00167 0.63389 200. RY*( 1) H 23 0.00097 0.57169 201. RY*( 1) H 24 0.00127 0.68500 202. RY*( 1) H 25 0.00111 0.66062 203. RY*( 1) H 26 0.00092 0.65897 204. BD*( 1) C 1 - C 2 0.01886 0.42998 205. BD*( 1) C 1 - H 24 0.00941 0.42422 206. BD*( 1) C 1 - H 25 0.00939 0.41471 207. BD*( 1) C 1 - H 26 0.00505 0.42228 208. BD*( 1) C 2 - C 3 0.01939 0.66713 209. BD*( 2) C 2 - C 3 0.08300 0.05460 210. BD*( 1) C 2 - C 7 0.03119 0.40800 211. BD*( 1) C 3 - C 4 0.02029 0.41166 212. BD*( 1) C 3 - H 23 0.01592 0.45184 213. BD*( 1) C 4 - C 5 0.03001 0.35520 214. BD*( 1) C 4 - C 9 0.02179 0.36370 215. BD*( 1) C 4 - H 22 0.01535 0.43215 216. BD*( 1) C 5 - C 6 0.02408 0.35826 217. BD*( 1) C 5 - C 17 0.07477 0.36568 218. BD*( 1) C 5 - H 21 0.01891 0.40439 219. BD*( 1) C 6 - C 7 0.02837 0.35276 220. BD*( 1) C 6 - C 15 0.07484 0.36391 221. BD*( 1) C 6 - H 20 0.01855 0.40329 222. BD*( 1) C 7 - C 8 0.02052 0.36089 223. BD*( 1) C 7 - H 14 0.01606 0.42732 224. BD*( 1) C 8 - C 9 0.01294 0.36588 225. BD*( 1) C 8 - H 12 0.00977 0.41980 226. BD*( 1) C 8 - H 13 0.01220 0.41680 227. BD*( 1) C 9 - H 10 0.01283 0.41781 228. BD*( 1) C 9 - H 11 0.00971 0.42225 229. BD*( 1) C 15 - O 16 0.11630 0.32620 232(g),216(v),217(v),219(v) 148(g),230(g),161(g),153(g) 150(g),222(r) 230. BD*( 1) C 15 - O 19 0.01991 0.57731 231. BD*( 2) C 15 - O 19 0.17647 -0.00261 234(r),230(g),221(v),219(v) 189(g),155(g) 232. BD*( 1) O 16 - C 17 0.11680 0.32710 229(g),216(v),220(v),213(v) 168(g),233(g),161(g),173(g) 170(g) 233. BD*( 1) C 17 - O 18 0.01892 0.58173 234. BD*( 2) C 17 - O 18 0.17471 -0.00266 231(r),218(v),213(v),179(g) 233(g),175(g) ------------------------------- Total Lewis 100.57463 ( 98.6026%) Valence non-Lewis 1.23632 ( 1.2121%) Rydberg non-Lewis 0.18904 ( 0.1853%) ------------------------------- Total unit 1 102.00000 (100.0000%) Charge unit 1 0.00000 1\1\GINC-COMPUTE-2-48\SP\RB3LYP\6-31G(d)\C11H12O3\AVANAARTSEN\12-Apr-2 019\0\\#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivi ty\\C11H12O3\\0,1\C\C,1,1.500714735\C,2,1.340231285,1,125.135785\C,3,1 .509438471,2,115.0075854,1,-179.8474955,0\C,4,1.540224113,3,106.973270 8,2,57.37817359,0\C,5,1.536361199,4,110.1428056,3,-54.67293856,0\C,2,1 .511371946,3,114.276107,4,0.13707873,0\C,7,1.542148681,2,106.7805315,3 ,57.86989522,0\C,4,1.541856602,3,106.6716656,2,-58.02725043,0\H,9,1.11 6034391,4,109.8079526,3,176.8456973,0\H,9,1.116490445,4,109.4419815,3, -66.34634274,0\H,8,1.116547128,9,110.2573522,4,-120.5970502,0\H,8,1.11 5999685,9,110.6316128,4,121.6442148,0\H,7,1.116475896,2,111.8046398,3, -179.9984592,0\C,6,1.514003657,7,113.2896236,2,-61.2211575,0\O,15,1.36 2555631,6,108.854053,7,127.6385075,0\C,5,1.513999823,4,113.3809857,3,6 1.28692265,0\O,17,1.211899629,5,126.1077132,4,51.52214945,0\O,15,1.211 836902,6,126.1222031,7,-51.48225673,0\H,6,1.116759733,7,110.5729521,2, 178.3956968,0\H,5,1.116781564,4,110.5932914,3,-178.2308195,0\H,4,1.116 774408,3,111.5787659,2,179.8016145,0\H,3,1.102174892,2,123.5491604,1,- 0.04629942,0\H,1,1.113389041,2,110.0418926,3,120.0081282,0\H,1,1.11337 3798,2,109.9612907,3,-120.3627256,0\H,1,1.113484116,2,111.9306363,3,-0 .18111342,0\\Version=ES64L-G16RevB.01\State=1-A\HF=-652.071201\RMSD=6. 894e-09\Dipole=-0.482264,1.6136258,0.4911862\Quadrupole=-0.8259131,-3. 0250098,3.8509229,1.4424263,-5.0079319,-1.6647261\PG=C01 [X(C11H12O3)] \\@ THE MORE POWERFUL THE METHOD, THE MORE CATASTROPHIC THE ERRORS. -- M.D. KAMEN Job cpu time: 0 days 0 hours 5 minutes 18.2 seconds. Elapsed time: 0 days 0 hours 5 minutes 18.0 seconds. File lengths (MBytes): RWF= 35 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 16 at Fri Apr 12 21:21:42 2019.